Imitation learning for robotic manipulation faces a fundamental challenge: the scarcity of large-scale, high-quality robot demonstration data. Recent robotic foundation models often pre-train on cross-embodiment robot datasets to increase data scale, while they face significant limitations as the diverse morphologies and action spaces across different robot embodiments make unified training challenging. In this paper, we present H-RDT (Human to Robotics Diffusion Transformer), a novel approach that leverages human manipulation data to enhance robot manipulation capabilities. Our key insight is that large-scale egocentric human manipulation videos with paired 3D hand pose annotations provide rich behavioral priors that capture natural manipulation strategies and can benefit robotic policy learning. We introduce a two-stage training paradigm: (1) pre-training on large-scale egocentric human manipulation data, and (2) cross-embodiment fine-tuning on robot-specific data with modular action encoders and decoders. Built on a diffusion transformer architecture with 2B parameters, H-RDT uses flow matching to model complex action distributions. The modular design of action encoder and decoder components enables effective knowledge transfer from the unified human embodiment to diverse robot platforms through efficient fine-tuning. Extensive evaluations encompassing both simulation and real-world experiments, single-task and multitask scenarios, as well as few-shot learning and robustness assessments, demonstrate that H-RDT outperforms training from scratch and existing state-of-the-art methods, including π0 and RDT, achieving significant improvements of 13.9% and 40.5% over training from scratch in simulation and real-world experiments, respectively. The results validate our core hypothesis that human manipulation data can serve as a powerful foundation for learning bimanual robotic manipulation policies.

Recent advancements in multimodal large language models for video understanding (videoLLMs) have enhanced their capacity to process complex spatiotemporal data. However, challenges such as factual inaccuracies, harmful content, biases, hallucinations, and privacy risks compromise their reliability. This study introduces Trust-videoLLMs, a first comprehensive benchmark evaluating 23 state-of-the-art videoLLMs (5 commercial, 18 open-source) across five critical dimensions: truthfulness, robustness, safety, fairness, and privacy. Comprising 30 tasks with adapted, synthetic, and annotated videos, the framework assesses spatiotemporal risks, temporal consistency and cross-modal impact. Results reveal significant limitations in dynamic scene comprehension, cross-modal perturbation resilience and real-world risk mitigation. While open-source models occasionally outperform, proprietary models generally exhibit superior credibility, though scaling does not consistently improve performance. These findings underscore the need for enhanced training datat diversity and robust multimodal alignment. Trust-videoLLMs provides a publicly available, extensible toolkit for standardized trustworthiness assessments, addressing the critical gap between accuracy-focused benchmarks and demands for robustness, safety, fairness, and privacy.

Text-to-audio (TTA) generation with finegrained control signals, e.g., precise timing control or intelligible speech content, has been explored in recent works.However, constrained by data scarcity, their generation performance at scale is still compromised.In this study, we recast controllable TTA generation as a multi-task learning problem and introduce a progressive diffusion modeling approach, Con-trolAudio.Our method adeptly fits distributions conditioned on more fine-grained information, including text, timing, and phoneme features, through a step-by-step strategy.First, we propose a data construction method spanning both annotation and simulation, augmenting condition information in the sequence of text, timing, and phoneme.Second, at the model training stage, we pretrain a diffusion transformer (DiT) on large-scale text-audio pairs, achieving scalable TTA generation, and then incrementally integrate the timing and phoneme features with unified semantic representations, expanding controllability.Finally, at the inference stage, we propose progressively guided generation, which sequentially emphasizes more fine-grained information, aligning inherently with the coarse-tofine sampling nature of DiT.Extensive experiments show that ControlAudio achieves stateof-the-art performance in terms of temporal accuracy and speech clarity, significantly outperforming existing methods on both objective and subjective evaluations.Demo samples are available at:

This paper revisits the canonical concept of learning structured representations without label supervision by eigendecomposition. Yet, unlike prior spectral methods such as Laplacian Eigenmap which operate in a nonparametric manner, we aim to parametrically model the principal eigenfunctions of an integral operator defined by a kernel and a data distribution using a neural network for enhanced scalability and reasonable out-of-sample generalization. To achieve this goal, we first present a new series of objective functions that generalize the EigenGame Gemp et al. 2020 to function space for learning neural eigenfunctions. We then show that, when the similarity metric is derived from positive relations in a data augmentation setup, a representation learning objective function that resembles those of popular self-supervised learning methods emerges, with an additional symmetry-breaking property for producing structured representations where features are ordered by importance. We call such a structured, adaptive-length deep representation Neural Eigenmap. We demonstrate using Neural Eigenmap as adaptive-length codes in image retrieval systems. By truncation according to feature importance, our method requires up to $16\times$16× shorter representation length than leading self-supervised learning ones to achieve similar retrieval performance. We further apply our method to graph data and report strong results on a node representation learning benchmark with more than one million nodes.

Deep learning has demonstrated remarkable generalization capability with independent and identically distributed (i.i.d.) training and test data, however, it often struggles with data drawn from different, albeit causally related, distributions. This problem is generally known as Out-of-Distribution (OoD) generalization. While there is a plethora of algorithms proposed for OoD generalization, the current understanding of the data commonly employed to evaluate these algorithms remains relatively naive. In this study, we identify two distinct types of distribution shifts, namely diversity shift and correlation shift, that are ubiquitous in various OoD datasets. We propose a quantifiable formal definition for the two shifts and show that the performance of OoD algorithms is upper bounded by them. To validate our theoretical insight, we evaluate a number of OoD generalization algorithms across two groups of datasets from both classification and object detection areas, each dominated by one of the shifts, exposing the strengths of the algorithms against one shift as well as their limitations against the other. We further proved that all performance degradations according to data distribution shifts can be attributed to these two types of shifts defined in our paper. The benchmark integrates existing datasets and algorithms from different research areas that seem unrelated into a coherent picture, which may serve as a foundation for future OoD generalization research.

The remarkable success of Large Language Models (LLMs) relies heavily on their substantial scale, which poses significant challenges during model deployment in terms of latency and memory consumption. Recently, numerous studies have attempted to compress LLMs using one-shot pruning methods. However, these methods often suffer from considerable performance degradation on complex language understanding tasks, raising concerns about the feasibility of pruning in LLMs. To address this issue, we propose Adaptive Sparse Trainer (AST), a novel and efficient retraining framework tailored for semi-structured sparse models. AST enables models to learn optimal masks during the weight update process without incurring additional computational overhead. Furthermore, we demonstrate that incorporating knowledge distillation significantly improves retraining efficiency and enhances model performance under fixed computational constraints. Additionally, a supplementary set of well-initialized parameters is integrated to further augment the model's efficacy. AST achieves state-of-the-art performance with minimal training cost. When applied to the LLaMA2-7B model, AST reduces the perplexity and zero-shot accuracy gap between dense and 2:4 semi-structured sparse models to 0.6 and 1.16%, respectively, utilizing less than 0.4% of the pretraining tokens and GPU hours. Our work demonstrates the feasibility of deploying semi-structured sparse LLMs and offers a promising alternative for achieving highly compressed models when combined with existing quantization techniques.

Deep Neural Networks (DNNs) have achieved remarkable success in a variety of tasks, particularly in terms of prediction accuracy. However, in real-world scenarios, especially in safety-critical applications, accuracy alone is insufficient; reliable uncertainty estimates are essential. Modern DNNs, often trained with cross-entropy loss, tend to exhibit overconfidence, especially on ambiguous samples. Many techniques aim to improve uncertainty calibration, yet they often come at the cost of reduced accuracy or increased computational demands. To address this challenge, we propose Differentiated Deep Mutual Learning (Diff-DML), an efficient ensemble approach that simultaneously enhances accuracy and uncertainty calibration. Diff-DML draws inspiration from Deep Mutual Learning (DML) while introducing two strategies to maintain prediction diversity: (1) Differentiated Training Strategy (DTS) and (2) Diversity-Preserving Learning Objective (DPLO). Our theoretical analysis shows that Diff-DML’s diversified learning framework not only leverages ensemble benefits but also avoids the loss of prediction diversity observed in traditional DML setups, which is crucial for improved calibration. Extensive evaluations on various benchmarks confirm the effectiveness of Diff-DML. For instance, on the CIFAR-100 dataset, Diff-DML on ResNet34/50 models achieved substantial improvements over the previous state-of-the-art method, MDCA, with absolute accuracy gains of 1.3%/3.1%, relative ECE reductions of 49.6%/43.8%, and relative classwise-ECE reductions of 7.7%/13.0%.

Meshes are the de facto 3D representation in the industry but are labor-intensive to produce. Recently, a line of research has focused on autoregressively generating meshes. This approach processes meshes into a sequence composed of vertices and then generates them vertex by vertex, similar to how a language model generates text. These methods have achieved some success but still struggle to generate complex meshes. One primary reason for this limitation is their inefficient tokenization methods. To address this issue, we introduce MeshAnything V2, an advanced mesh generation model designed to create Artist-Created Meshes that align precisely with specified shapes. A key innovation behind MeshAnything V2 is our novel Adjacent Mesh Tokenization (AMT) method. Unlike traditional approaches that represent each face using three vertices, AMT optimizes this by employing a single vertex wherever feasible, effectively reducing the token sequence length by about half on average. This not only streamlines the tokenization process but also results in more compact and well-structured sequences, enhancing the efficiency of mesh generation. With these improvements, MeshAnything V2 effectively doubles the face limit compared to previous models, delivering superior performance without increasing computational costs. We will make our code and models publicly available. Project Page: https://buaacyw.github.io/meshanything-v2/

Triangle meshes play a crucial role in 3D applications for efficient manipulation and rendering. While auto-regressive methods generate structured meshes by predicting discrete vertex tokens, they are often constrained by limited face counts and mesh incompleteness. To address these challenges, we propose DeepMesh, a framework that optimizes mesh generation through two key innovations: (1) an efficient pre-training strategy incorporating a novel tokenization algorithm, along with improvements in data curation and processing, and (2) the introduction of Reinforcement Learning (RL) into 3D mesh generation to achieve human preference alignment via Direct Preference Optimization (DPO). We design a scoring standard that combines human evaluation with 3D metrics to collect preference pairs for DPO, ensuring both visual appeal and geometric accuracy. Conditioned on point clouds and images, DeepMesh generates meshes with intricate details and precise topology, outperforming state-of-the-art methods in both precision and quality. Project page: https://zhaorw02.github.io/DeepMesh/

Classifier-Free Guidance (CFG) is a critical technique for enhancing the sample quality of visual generative models. However, in autoregressive (AR) multi-modal generation, CFG introduces design inconsistencies between language and visual content, contradicting the design philosophy of unifying different modalities for visual AR. Motivated by language model alignment methods, we propose Condition Contrastive Alignment (CCA) to facilitate guidance-free AR visual generation. Unlike guidance methods that alter the sampling process to achieve the ideal sampling distribution, CCA directly fine-tunes pretrained models to fit the same distribution target. Experimental results show that CCA can significantly enhance the guidance-free performance of all tested models with just one epoch of fine-tuning (1% of pretraining epochs) on the pretraining dataset. This largely removes the need for guided sampling in AR visual generation and cuts the sampling cost by half. Moreover, by adjusting training parameters, CCA can achieve trade-offs between sample diversity and fidelity similar to CFG. This experimentally confirms the strong theoretical connection between language-targeted alignment and visual-targeted guidance methods, unifying two previously independent research fields.

Robustness is essential for deep neural networks, especially in security-sensitive applications. To this end, randomized smoothing provides theoretical guarantees for certifying robustness against adversarial perturbations. Recently, diffusion models have been successfully employed for randomized smoothing to purify noise-perturbed samples before making predictions with a standard classifier. While these methods excel at small perturbation radii, they struggle with larger perturbations and incur a significant computational overhead during inference compared to classical methods. To address this, we reformulate the generative modeling task along the diffusion trajectories in pixel space as a discriminative task in the latent space. Specifically, we use instance discrimination to achieve consistent representations along the trajectories by aligning temporally adjacent points. After fine-tuning based on the learned representations, our model enables implicit denoising-then-classification via a single prediction, substantially reducing inference costs. We conduct extensive experiments on various datasets and achieve state-of-the-art performance with minimal computation budget during inference. For example, our method outperforms the certified accuracy of diffusion-based methods on ImageNet across all perturbation radii by 5.3\% on average, with up to 11.6\% at larger radii, while reducing inference costs by 85x on average.

The Adam optimizer is widely used for transformer optimization in practice, which makes understanding the underlying optimization mechanisms an important problem. However, due to the Adam's complexity, theoretical analysis of how it optimizes transformers remains a challenging task. Fortunately, Sign Gradient Descent (SignGD) serves as an effective surrogate for Adam. Despite its simplicity, theoretical understanding of how SignGD optimizes transformers still lags behind. In this work, we study how SignGD optimizes a two-layer transformer -- consisting of a softmax attention layer with trainable query-key parameterization followed by a linear layer -- on a linearly separable noisy dataset. We identify four stages in the training dynamics, each exhibiting intriguing behaviors. Based on the training dynamics, we prove the fast convergence but poor generalization of the learned transformer on the noisy dataset. We also show that Adam behaves similarly to SignGD in terms of both optimization and generalization in this setting. Additionally, we find that the poor generalization of SignGD is not solely due to data noise, suggesting that both SignGD and Adam requires high-quality data for real-world tasks. Finally, experiments on synthetic and real-world datasets empirically support our theoretical results.

Bimanual manipulation is essential in robotics, yet developing foundation models is extremely challenging due to the inherent complexity of coordinating two robot arms (leading to multi-modal action distributions) and the scarcity of training data. In this paper, we present the Robotics Diffusion Transformer (RDT), a pioneering diffusion foundation model for bimanual manipulation. RDT builds on diffusion models to effectively represent multi-modality, with innovative designs of a scalable Transformer to deal with the heterogeneity of multi-modal inputs and to capture the nonlinearity and high frequency of robotic data. To address data scarcity, we further introduce a Physically Interpretable Unified Action Space, which can unify the action representations of various robots while preserving the physical meanings of original actions, facilitating learning transferrable physical knowledge. With these designs, we managed to pre-train RDT on the largest collection of multi-robot datasets to date and scaled it up to $1.2$B parameters, which is the largest diffusion-based foundation model for robotic manipulation. We finally fine-tuned RDT on a self-created multi-task bimanual dataset with over $6$K+ episodes to refine its manipulation capabilities. Experiments on real robots demonstrate that RDT significantly outperforms existing methods. It exhibits zero-shot generalization to unseen objects and scenes, understands and follows language instructions, learns new skills with just 1$\sim$5 demonstrations, and effectively handles complex, dexterous tasks. We refer to https://rdt-robotics.github.io/rdt-robotics/ for the code and videos.

Sparsely activated Mixture-of-Experts (MoE) models are widely adopted to scale up model capacity without increasing the computation budget. However, vanilla TopK routers are trained in a discontinuous, non-differentiable way, limiting their performance and scalability. To address this issue, we propose ReMoE, a fully differentiable MoE architecture that offers a simple yet effective drop-in replacement for the conventional TopK+Softmax routing, utilizing ReLU as the router instead. We further propose methods to regulate the router's sparsity while balancing the load among experts. ReMoE’s continuous nature enables efficient dynamic allocation of computation across tokens and layers, while also exhibiting domain specialization. Our experiments demonstrate that ReMoE consistently outperforms vanilla TopK-routed MoE across various model sizes, expert counts, and levels of granularity. Furthermore, ReMoE exhibits superior scalability with respect to the number of experts, surpassing traditional MoE architectures. The implementation based on Megatron-LM is available at https://github.com/thu-ml/ReMoE.

The transformer architecture predominates across various models. As the heart of the transformer, attention has a computational complexity of $O(N^2)$, compared to $O(N)$ for linear transformations. When handling large sequence lengths, attention becomes the primary time-consuming component. Although quantization has proven to be an effective method for accelerating model inference, existing quantization methods primarily focus on optimizing the linear layer. In response, we first analyze the feasibility of quantization in attention detailedly. Following that, we propose SageAttention, a highly efficient and accurate quantization method for attention. The OPS (operations per second) of our approach outperforms FlashAttention2 and xformers by about 2.1x and 2.7x, respectively. SageAttention also achieves superior accuracy performance over FlashAttention3. Comprehensive experiments confirm that our approach incurs almost no end-to-end metrics loss across diverse models—including those for large language processing, image generation, and video generation. The code is available at https://github.com/thu-ml/SageAttention.

Masked diffusion models (MDMs) have emerged as a popular research topic for generative modeling of discrete data, thanks to their superior performance over other discrete diffusion models, and are rivaling the auto-regressive models (ARMs) for language modeling tasks. The recent effort in simplifying the masked diffusion framework further leads to alignment with continuous-space diffusion models and more principled training and sampling recipes. In this paper, however, we reveal that both training and sampling of MDMs are theoretically free from the time variable, arguably the key signature of diffusion models, and are instead equivalent to masked models. The connection on the sampling aspect is drawn by our proposed first-hitting sampler (FHS). Specifically, we show that the FHS is theoretically equivalent to MDMs' original generation process while significantly alleviating the time-consuming categorical sampling and achieving a 20$\times$ speedup. In addition, our investigation raises doubts about whether MDMs can truly beat ARMs in text generation. We identify, for the first time, an underlying numerical issue, even with the commonly used 32-bit floating-point precision, which results in inaccurate categorical sampling. We show that it lowers the effective temperature both theoretically and empirically, and the resulting decrease in token diversity makes previous evaluations, which assess the generation quality solely through the incomplete generative perplexity metric, somewhat unfair.

Consistency distillation is a prevalent way for accelerating diffusion models adopted in consistency (trajectory) models, in which a student model is trained to traverse backward on the probability flow (PF) ordinary differential equation (ODE) trajectory determined by the teacher model. Preconditioning is a vital technique for stabilizing consistency distillation, by linear combining the input data and the network output with pre-defined coefficients as the consistency function. It imposes the boundary condition of consistency functions without restricting the form and expressiveness of the neural network. However, previous preconditionings are hand-crafted and may be suboptimal choices. In this work, we offer the first theoretical insights into the preconditioning in consistency distillation, by elucidating its design criteria and the connection to the teacher ODE trajectory. Based on these analyses, we further propose a principled way dubbed \textit{Analytic-Precond} to analytically optimize the preconditioning according to the consistency gap (defined as the gap between the teacher denoiser and the optimal student denoiser) on a generalized teacher ODE. We demonstrate that Analytic-Precond can facilitate the learning of trajectory jumpers, enhance the alignment of the student trajectory with the teacher's, and achieve $2\times$ to $3\times$ training acceleration of consistency trajectory models in multi-step generation across various datasets.

Denoising diffusion bridge models (DDBMs) are a powerful variant of diffusion models for interpolating between two arbitrary paired distributions given as endpoints. Despite their promising performance in tasks like image translation, DDBMs require a computationally intensive sampling process that involves the simulation of a (stochastic) differential equation through hundreds of network evaluations. In this work, we take the first step in fast sampling of DDBMs without extra training, motivated by the well-established recipes in diffusion models. We generalize DDBMs via a class of non-Markovian diffusion bridges defined on the discretized timesteps concerning sampling, which share the same marginal distributions and training objectives, give rise to generative processes ranging from stochastic to deterministic, and result in diffusion bridge implicit models (DBIMs). DBIMs are not only up to 25$\times$ faster than the vanilla sampler of DDBMs but also induce a novel, simple, and insightful form of ordinary differential equation (ODE) which inspires high-order numerical solvers. Moreover, DBIMs maintain the generation diversity in a distinguished way, by using a booting noise in the initial sampling step, which enables faithful encoding, reconstruction, and semantic interpolation in image translation tasks. Code is available at \url{https://github.com/thu-ml/DiffusionBridge}.

Diffusion models represent a powerful family of generative models widely used for image and video generation. However, the time-consuming deployment, long inference time, and requirements on large memory hinder their applications on resource constrained devices. In this paper, we propose a method based on the improved Straight-Through Estimator to improve the deployment efficiency of diffusion models. Specifically, we add sparse masks to the Convolution and Linear layers in a pre-trained diffusion model, then transfer learn the sparse model during the fine-tuning stage and turn on the sparse masks during inference. Experimental results on a Transformer and UNet-based diffusion models demonstrate that our method reduces MACs by 50% while maintaining FID. Sparse models are accelerated by approximately 1.2x on the GPU. Under other MACs conditions, the FID is also lower than 1 compared to other methods.

Classifier-Free Guidance (CFG) has been a default technique in various visual generative models, yet it requires inference from both conditional and unconditional models during sampling. We propose to build visual models that are free from guided sampling. The resulting algorithm, Guidance-Free Training (GFT), matches the performance of CFG while reducing sampling to a single model, halving the computational cost. Unlike previous distillation-based approaches that rely on pretrained CFG networks, GFT enables training directly from scratch. GFT is simple to implement. It retains the same maximum likelihood objective as CFG and differs mainly in the parameterization of conditional models. Implementing GFT requires only minimal modifications to existing codebases, as most design choices and hyperparameters are directly inherited from CFG. Our extensive experiments across five distinct visual models demonstrate the effectiveness and versatility of GFT. Across domains of diffusion, autoregressive, and masked-prediction modeling, GFT consistently achieves comparable or even lower FID scores, with similar diversity-fidelity trade-offs compared with CFG baselines, all while being guidance-free.

Pre-training Transformers in FP4 precision is becoming a promising approach to gain substantial speedup, but it comes with a considerable loss of accuracy. Microscaling (MX) data format provides a fine-grained per-group quantization method to improve the representation ability of the FP4 format and is supported by the next-generation Blackwell GPU architecture. However, training with MXFP4 data format still results in significant degradation and there is a lack of systematic research on the reason. In this work, we propose a novel training method TetraJet for a more accurate FP4 training. We comprehensively evaluate all of the quantizers involved in the training, and identify the weight oscillation problem in the forward pass as the main source of the degradation in MXFP4 training. Therefore, we introduce two novel methods, EMA Quantizer (Q-EMA) and Adaptive Ramping Optimizer (Q-Ramping), to resolve the oscillation problem. Extensive experiments on Vision Transformers demonstrate that TetraJet consistently outperforms the existing 4-bit training methods, and Q-EMA & Q-Ramping can provide additional enhancement by effectively reducing oscillation. We decreased the accuracy degradation by more than 50% compared to the baseline, and can even achieve competitive performance compared to full precision training.

Diffusion models have achieved remarkable progress on image-to-video (I2V) generation, while their noise-to-data generation process is inherently mismatched with this task, which may lead to suboptimal synthesis quality. In this work, we present FrameBridge. By modeling the frame-to-frames generation process with a bridge model based data-to-data generative process, we are able to fully exploit the information contained in the given image and improve the consistency between the generation process and I2V task. Moreover, we propose two novel techniques toward the two popular settings of training I2V models, respectively. Firstly, we propose SNR-Aligned Fine-tuning (SAF), making the first attempt to fine-tune a diffusion model to a bridge model and, therefore, allowing us to utilize the pre-trained diffusion-based text-to-video (T2V) models. Secondly, we propose neural prior, further improving the synthesis quality of FrameBridge when training from scratch. Experiments conducted on WebVid-2M and UCF-101 demonstrate the superior quality of FrameBridge in comparison with the diffusion counterpart (zero-shot FVD 95 vs. 192 on MSR-VTT and non-zero-shot FVD 122 vs. 171 on UCF-101), and the advantages of our proposed SAF and neural prior for bridge-based I2V models. The project page: https://framebridge-icml.github.io/

Although quantization for linear layers has been widely used, its application to accelerate the attention process remains limited. To further enhance the efficiency of attention computation compared to SageAttention while maintaining precision, we propose SageAttention2, which utilizes significantly faster 4-bit matrix multiplication (Matmul) alongside additional precision-enhancing techniques. First, we propose to quantize matrixes $(Q, K)$ to INT4 in a hardware-friendly thread-level granularity and quantize matrixes $(\widetilde P, V)$ to FP8. Second, we propose a method to smooth $Q$, enhancing the accuracy of INT4 $QK^\top$. Third, we propose a two-level accumulation strategy for $\widetilde PV$ to enhance the accuracy of FP8 $\widetilde PV$. The operations per second (OPS) of SageAttention2 surpass FlashAttention2 and xformers by about 3x and 4.5x, respectively. Moreover, SageAttention2 matches the speed of FlashAttention3(fp8) on the Hopper GPUs, while delivering much higher accuracy. Comprehensive experiments confirm that our approach incurs negligible end-to-end metrics loss across diverse models, including those for language, image, and video generation.

An efficient attention implementation is essential for large models due to its quadratic time complexity. Fortunately, attention commonly exhibits sparsity, i.e., many values in the attention map are near zero, allowing for the omission of corresponding computations. Many studies have utilized the sparse pattern to accelerate attention. However, most existing works focus on optimizing attention within specific models by exploiting certain sparse patterns of the attention map. A universal sparse attention that guarantees both the speedup and end-to-end performance of diverse models remains elusive. In this paper, we propose SpargeAttn, a universal sparse and quantized attention for any model. Our method uses a two-stage online filter: in the first stage, we rapidly and accurately predict the attention map, enabling the skip of some matrix multiplications in attention. In the second stage, we design an online softmax-aware filter that incurs no extra overhead and further skips some matrix multiplications. Experiments show that our method significantly accelerates diverse models, including language, image, and video generation, without sacrificing end-to-end metrics.

Ensuring the safety and harmlessness of Large Language Models (LLMs) has become equally critical as their performance in applications. However, existing safety alignment methods typically suffer from safety-performance trade-offs and susceptibility to jailbreak attacks, primarily due to their reliance on direct refusals for malicious queries. In this paper, we propose STAIR, a novel framework that integrates SafeTy Alignment with Itrospective Reasoning. We enable LLMs to identify safety risks through step-by-step analysis by self-improving chain-of-thought (CoT) reasoning with safety awareness. STAIR first equips the model with a structured reasoning capability and then advances safety alignment via iterative preference optimization on step-level reasoning data generated using our newly proposed Safety-Informed Monte Carlo Tree Search (SI-MCTS). Specifically, we design a theoretically grounded reward for outcome evaluation to seek balance between helpfulness and safety. We further train a process reward model on this data to guide test-time searches for improved responses. Extensive experiments show that STAIR effectively mitigates harmful outputs while better preserving helpfulness, compared to instinctive alignment strategies. With test-time scaling, STAIR achieves a safety performance comparable to Claude-3.5 against popular jailbreak attacks. We have open-sourced our code, datasets and models at https://github.com/thu-ml/STAIR.

Recent advancements in video generation have enabled models to synthesize high-quality, minute-long videos. However, generating even longer videos with temporal coherence remains a major challenge and existing length extrapolation methods lead to temporal repetition or motion deceleration. In this work, we systematically analyze the role of frequency components in positional embeddings and identify an intrinsic frequency that primarily governs extrapolation behavior. Based on this insight, we propose RIFLEx, a minimal yet effective approach that reduces the intrinsic frequency to suppress repetition while preserving motion consistency, without requiring any additional modifications. RIFLEx offers a true free lunch—achieving high-quality $2\times$ extrapolation on state-of-the-art video diffusion transformers in a completely training-free manner. Moreover, it enhances quality and enables $3\times$ extrapolation by minimal fine-tuning without long videos.

While likelihood-based generative models, particularly diffusion and autoregressive models, have achieved remarkable fidelity in visual generation, the maximum likelihood estimation (MLE) objective, which minimizes the forward KL divergence, inherently suffers from a mode-covering tendency that limits the generation quality under limited model capacity. In this work, we propose Direct Discriminative Optimization (DDO) as a unified framework that integrates likelihood-based generative training and GAN-type discrimination to bypass this fundamental constraint by exploiting reverse KL and self-generated negative signals. Our key insight is to parameterize a discriminator implicitly using the likelihood ratio between a learnable target model and a fixed reference model, drawing parallels with the philosophy of Direct Preference Optimization (DPO). Unlike GANs, this parameterization eliminates the need for joint training of generator and discriminator networks, allowing for direct, efficient, and effective finetuning of a well-trained model to its full potential beyond the limits of MLE. DDO can be performed iteratively in a self-play manner for progressive model refinement, with each round requiring less than 1\% of pretraining epochs. Our experiments demonstrate the effectiveness of DDO by significantly advancing the previous SOTA diffusion model EDM, reducing FID scores from 1.79/1.58/1.96 to new records of 1.30/0.97/1.26 on CIFAR-10/ImageNet-64/ImageNet 512$\times$512 datasets without any guidance mechanisms, and by consistently improving both guidance-free and CFG-enhanced FIDs of visual autoregressive models on ImageNet 256$\times$256.

Visual reinforcement learning agents typically face serious performance declines in real-world applications caused by visual distractions. Existing methods rely on fine-tuning the policy's representations with hand-crafted augmentations. In this work, we propose Self-Consistent Model-based Adaptation (SCMA), a novel method that fosters robust adaptation without modifying the policy. By transferring cluttered observations to clean ones with a denoising model, SCMA can mitigate distractions for various policies as a plug-and-play enhancement. To optimize the denoising model in an unsupervised manner, we derive an unsupervised distribution matching objective with a theoretical analysis of its optimality. We further present a practical algorithm to optimize the objective by estimating the distribution of clean observations with a pre-trained world model. Extensive experiments on multiple visual generalization benchmarks and real robot data demonstrate that SCMA effectively boosts performance across various distractions and exhibits better sample efficiency.

Text-to-audio (T2A) generation has achieved promising results with the recent advances in generative models. However, because of the limited quality and quantity of temporally-aligned audio-text pairs, existing T2A methods struggle to handle the complex text prompts that contain precise timing control, e.g., owl hooted at 2.4s-5.2s. Recent works have explored data augmentation techniques or introduced timing conditions as model inputs to enable timing-conditioned 10-second T2A generation, while their synthesis quality is still limited. In this work, we propose a novel training-free timing-controlled T2A framework, FreeAudio, making the first attempt to enable timing-controlled long-form T2A generation, e.g., owl hooted at 2.4s-5.2s and crickets chirping at 0s-24s. Specifically, we first employ an LLM to plan non-overlapping time windows and recaption each with a refined natural language description, based on the input text and timing prompts. Then we introduce: 1) Decoupling & Aggregating Attention Control for precise timing control; 2) Contextual Latent Composition for local smoothness and Reference Guidance for global consistency. Extensive experiments show that: 1) FreeAudio achieves state-of-the-art timing-conditioned T2A synthesis quality among training-free methods and is comparable to leading training-based methods; 2) FreeAudio demonstrates comparable long-form generation quality with training-based Stable Audio and paves the way for timing-controlled long-form T2A synthesis. Demo samples are available at: https://freeaudio.github.io/FreeAudio/.

Audio super-resolution (SR), i.e., upsampling the low-resolution (LR) waveform to the high-resolution (HR) version, has recently been explored with diffusion and bridge models, while previous methods often suffer from sub-optimal upsampling quality due to their uninformative generation prior. Towards high-quality audio super-resolution, we present a new system with latent bridge models (LBMs), where we compress the audio waveform into a continuous latent space and design an LBM to enable a latent-to-latent generation process that naturally matches the LR-to-HR upsampling process, thereby fully exploiting the instructive prior information contained in the LR waveform. To further enhance the training results despite the limited availability of HR samples, we introduce frequency-aware LBMs, where the prior and target frequency are taken as model input, enabling LBMs to explicitly learn an any-to-any upsampling process at the training stage. Furthermore, we design cascaded LBMs and present two prior augmentation strategies, where we make the first attempt to unlock the audio upsampling beyond 48 kHz and empower a seamless cascaded SR process, providing higher flexibility for audio post-production. Comprehensive experimental results evaluated on the VCTK, ESC-50, Song-Describer benchmark datasets and two internal testsets demonstrate that we achieve state-of-the-art objective and perceptual quality for any-to-48 kHz SR across speech, audio, and music signals, as well as setting the first record for any-to-192kHz audio SR. Demo at https://AudioLBM.github.io/.

Recently, the powerful text-to-image capabilities of GPT-4o have led to growing appreciation for native multimodal large language models. However, its multimodal capabilities remain confined to images and text. Yet beyond images, the ability to understand and generate 3D content is equally crucial. To address this gap, we propose ShapeLLM-Omni—a native 3D large language model capable of understanding and generating 3D assets and text in any sequence. First, we train a 3D vector-quantized variational autoencoder (VQVAE), which maps 3D objects into a discrete latent space to achieve efficient and accurate shape representation and reconstruction. Building upon the 3D-aware discrete tokens, we innovatively construct a large-scale continuous training dataset named 3D-Alpaca, encompassing generation, comprehension, and editing, thus providing rich resources for future research and training. Finally, we perform instruction-based fine-tuning of the Qwen-2.5-vl-7B-Instruct model on the 3D-Alpaca dataset, equipping it with native 3D understanding and generation capabilities. Our work represents an effective step toward extending multimodal large language models with fundamental 3D intelligence, paving the way for future advances in 3D-native AI.

The efficiency of attention is important due to its quadratic time complexity. We enhance the efficiency of attention through two key contributions: First, we leverage the new $\texttt{FP4}$ Tensor Cores in Blackwell GPUs to accelerate attention computation. Our implementation achieves $\textbf{1038}$ $\texttt{TOPS}$ on $\texttt{RTX5090}$, which is a $\textbf{5}\times$ speedup over the fastest FlashAttention on $\texttt{RTX5090}$. Experiments show that our $\texttt{FP4}$ attention can accelerate inference of various models in a plug-and-play way. Second, we pioneer low-bit attention to training tasks. Existing low-bit attention works like FlashAttention3 and SageAttention focus only on inference. However, the efficiency of training large models is also important. To explore whether low-bit attention can be effectively applied to training tasks, we design an accurate and efficient $\texttt{8-bit}$ attention for both forward and backward propagation. Experiments indicate that $\texttt{8-bit}$ attention achieves lossless performance in fine-tuning tasks but exhibits slower convergence in pretraining tasks. The code is available at https://github.com/thu-ml/SageAttention.

Finding an $\epsilon$-stationary point of a nonconvex function with a Lipschitz continuous Hessian is a central problem in optimization. Regularized Newton methods are a classical tool and have been studied extensively, yet they still face a trade‑off between global and local convergence. Whether a parameter-free algorithm of this type can simultaneously achieve optimal global complexity and quadratic local convergence remains an open question. To bridge this long-standing gap, we propose a new class of regularizers constructed from the current and previous gradients, and leverage the conjugate gradient approach with a negative curvature monitor to solve the regularized Newton equation. The proposed algorithm is adaptive, requiring no prior knowledge of the Hessian Lipschitz constant, and achieves a global complexity of $O(\epsilon^{-\frac{3}{2}})$ in terms of the second-order oracle calls, and $\tilde O(\epsilon^{-\frac{7}{4}})$ for Hessian-vector products, respectively. When the iterates converge to a point where the Hessian is positive definite, the method exhibits quadratic local convergence. Preliminary numerical results, including training the physics-informed neural networks, illustrate the competitiveness of our algorithm.

A major challenge to deploying cyber-physical systems with learning-enabled controllers is to ensure their safety, especially in the face of changing environments that necessitate runtime knowledge acquisition. Model-checking and automated reasoning have been successfully used for shielding, i.e., to monitor un-trusted controllers and override potentially unsafe decisions, but only at the cost of hard tradeoffs in terms of expressivity, safety, adaptivity, precision and runtime efficiency. We propose a programming-language framework that allows experts to statically specify adaptive shields for learning-enabled agents, which enforce a safe control envelope that gets more permissive as knowledge is gathered at runtime. A shield specification provides a safety model that is parametric in the current agent’s knowledge. In addition, a nondeterministic inference strategy can be specified using a dedicated domain-specific language, enforcing that such knowledge parameters are inferred at runtime in a statistically-sound way. By leveraging language design and theorem proving, our proposed framework empowers experts to design adaptive shields with an unprecedented level of modeling flexibility, while providing rigorous, end-to-end probabilistic safety guarantees.

The deployment of pre-trained models (PTMs) has greatly advanced the field of continual learning (CL), enabling positive knowledge transfer and resilience to catastrophic forgetting. To sustain these advantages for sequentially arriving tasks, a promising direction involves keeping the pre-trained backbone frozen while employing parameter-efficient tuning (PET) techniques to instruct representation learning. Despite the popularity of Prompt-based PET for CL, its empirical design often leads to sub-optimal performance in our evaluation of different PTMs and target tasks. To this end, we propose a unified framework for CL with PTMs and PET that provides both theoretical and empirical advancements. We first perform an in-depth theoretical analysis of the CL objective in a pre-training context, decomposing it into hierarchical components namely within-task prediction, task-identity inference and task-adaptive prediction. We then present Hierarchical Decomposition PET (HiDe-PET), an innovative approach that explicitly optimizes the decomposed objective through incorporating task-specific and task-shared knowledge via mainstream PET techniques along with efficient recovery of pre-trained representations. Leveraging this framework, we delve into the distinct impacts of implementation strategy, PET technique and PET architecture, as well as adaptive knowledge accumulation amidst pronounced distribution changes. Finally, across various CL scenarios, our approach demonstrates remarkably superior performance over a broad spectrum of recent strong baselines.

Adversarial attacks in 3D environments have emerged as a critical threat to the reliability of visual perception systems, particularly in safety-sensitive applications such as identity verification and autonomous driving. These attacks employ adversarial patches and 3D objects to manipulate deep neural network (DNN) predictions by exploiting vulnerabilities within complex scenes. Existing defense mechanisms, such as adversarial training and purification, primarily employ passive strategies to enhance robustness. However, these approaches often rely on pre-defined assumptions about adversarial tactics, limiting their adaptability in dynamic 3D settings. To address these challenges, we introduce Reinforced Embodied Active Defense (Rein-EAD), a proactive defense framework that leverages adaptive exploration and interaction with the environment to improve perception robustness in 3D adversarial contexts. By implementing a multi-step objective that balances immediate prediction accuracy with predictive entropy minimization, Rein-EAD optimizes defense strategies over a multi-step horizon. Additionally, Rein-EAD involves an uncertainty-oriented reward-shaping mechanism that facilitates efficient policy updates, thereby reducing computational overhead and supporting real-world applicability without the need for differentiable environments. Comprehensive experiments validate the effectiveness of Rein-EAD, demonstrating a substantial reduction in attack success rates while preserving standard accuracy across diverse tasks. Notably, Rein-EAD exhibits robust generalization to unseen and adaptive attacks, making it suitable for real-world complex tasks, including 3D object classification, face recognition and autonomous driving. By integrating proactive policy learning with embodied scene interaction, Rein-EAD establishes a scalable and adaptable approach for securing DNN-based perception systems in dynamic and adversarial 3D environments.

Thermal Infrared detection is widely used in autonomous driving, medical AI, etc., but its security has only attracted attention recently. We propose infrared adversarial clothing designed to evade thermal person detectors in real-world scenarios. The design of the adversarial clothing is based on 3D modeling, which makes it easier to simulate multiangle scenes near the real world compared to 2D modeling. We optimized the patch layout pattern of 3D clothing based on the adversarial example technique and made physical adversarial clothing using the aerogel. The idea is to paste a set of square aerogel patches, which display black squares in thermal images, in the inner side of clothing at specific locations with specific orientations. To enhance realism, we propose a method to build infrared 3D models with real infrared photos and develop texture maps for 3D models to simulate varied infrared characteristics over time and location. In physical attacks, we achieved an attack success rate of 80.11% indoors and 76.85% outdoors against YOLOv9. In contrast, randomly placed patches yielded much lower success rates (26.53% indoors and 23.03% outdoors). The adversarial clothing also showed good transferability to unknown detectors with an ensemble attack method, demonstrating the effectiveness of our approach.

It is crucial yet challenging for deep learning models to properly characterize uncertainty that is pervasive in real-world environments. Heteroscedastic neural networks (HNNs) are promising methods that capture data uncertainty for forecasting problems while existing HNNs have difficulties in conjoining calibrated uncertainty estimation and satisfactory predictive performance due to the failure to construct an explicit interaction between the prediction and its associated uncertainty. This article develops SDE-HNN, an improved HNN equipped with stochastic differential equations (SDE), to characterize the interaction between the predictive mean and variance inside HNNs for accurate and reliable forecasting. The existence and uniqueness of the solution to the devised neural SDE are guaranteed. Moreover, based on the bias-variance tradeoff for the optimization in SDE-HNN, we design an enhanced numerical SDE solver to improve learning stability. Finally, we present two new diagnostic uncertainty metrics to systematically evaluate the predictive uncertainty. Experiments on various challenging datasets show that our method significantly outperforms state-of-the-art baselines on both predictive performance and uncertainty quantification, delivering well-calibrated and sharp prediction intervals in time-series forecasting.

Most reinforcement learning algorithms seek a single optimal strategy that solves a given task. However, it can often be valuable to learn a diverse set of solutions, for instance, to make an agent's interaction with users more engaging, or improve the robustness of a policy to an unexpected perturbance. We propose Diversity-Guided Policy Optimization (DGPO), an on-policy algorithm that discovers multiple strategies for solving a given task. Unlike prior work, it achieves this with a shared policy network trained over a single run. Specifically, we design an intrinsic reward based on an information-theoretic diversity objective. Our final objective alternately constraints on the diversity of the strategies and on the extrinsic reward. We solve the constrained optimization problem by casting it as a probabilistic inference task and use policy iteration to maximize the derived lower bound. Experimental results show that our method efficiently discovers diverse strategies in a wide variety of reinforcement learning tasks. Compared to baseline methods, DGPO achieves comparable rewards, while discovering more diverse strategies, and often with better sample efficiency.

Although Multimodal Large Language Models (MLLMs) have demonstrated promising versatile capabilities, their performance is still inferior to specialized models on down-stream tasks, which makes adaptation necessary to enhance their utility. However, fine-tuning methods require indepen-dent training for every model, leading to huge computation and memory overheads. In this paper, we propose a novel setting where we aim to improve the performance of diverse MLLMs with a group of shared parameters optimized for a downstream task. To achieve this, we propose Transferable Visual Prompting (TVP), a simple and effective approach to generate visual prompts that can transfer to different models and improve their performance on downstream tasks after trained on only one model. We introduce two strategies to address the issue of cross-model feature corruption of existing visual prompting methods and enhance the transferabil-ity of the learned prompts, including 1) Feature Consistency Alignment: which imposes constraints to the prompted feature changes to maintain task-agnostic knowledge; 2) Task Semantics Enrichment: which encourages the prompted images to contain richer task-specific semantics with language guidance. We validate the effectiveness of TVP through ex-tensive experiments with 6 modern MLLMs on a wide vari-ety of tasks ranging from object recognition and counting to multimodal reasoning and hallucination correction.

Recent developments in offline reinforcement learning have uncovered the immense potential of diffusion modeling, which excels at representing heterogeneous behavior policies. However, sampling from diffusion policies is considerably slow because it necessitates tens to hundreds of iterative inference steps for one action. To address this issue, we propose to extract an efficient deterministic inference policy from critic models and pretrained diffusion behavior models, leveraging the latter to directly regularize the policy gradient with the behavior distribution’s score function during optimization. Our method enjoys powerful generative capabilities of diffusion modeling while completely circumventing the computationally intensive and time-consuming diffusion sampling scheme, both during training and evaluation. Extensive results on D4RL tasks show that our method boosts action sampling speed by more than 25 times compared with various leading diffusion-based methods in locomotion tasks, while still maintaining state-of-the-art performance.

It is widely recognized that deep learning models lack robustness to adversarial examples. An intriguing property of adversarial examples is that they can transfer across different models, which enables black-box attacks without any knowledge of the victim model. An effective strategy to improve the transferability is attacking an ensemble of models. However, previous works simply average the outputs of different models, lacking an in-depth analysis on how and why model ensemble methods can strongly improve the transferability. In this paper, we rethink the ensemble in adversarial attacks and define the common weakness of model ensemble with two properties: 1) the flatness of loss landscape; and 2) the closeness to the local optimum of each model. We empirically and theoretically show that both properties are strongly correlated with the transferability and propose a Common Weakness Attack (CWA) to generate more transferable adversarial examples by promoting these two properties. Experimental results on both image classification and object detection tasks validate the effectiveness of our approach to improving the adversarial transferability, especially when attacking adversarially trained models. We also successfully apply our method to attack a black-box large vision-language model -- Google's Bard, showing the practical effectiveness. Code is available at \url{https://github.com/huanranchen/AdversarialAttacks}.

With the success of Neural Radiance Field (NeRF) in 3D-aware portrait editing, a variety of works have achieved promising results regarding both quality and 3D consistency. However, these methods heavily rely on per-prompt optimization when handling natural language as editing instructions. Due to the lack of labeled human face 3D datasets and effective architectures, the area of human-instructed 3D-aware editing for open-world portraits in an end-to-end manner remains under-explored. To solve this problem, we propose an end-to-end diffusion-based framework termed $\textbf{InstructPix2NeRF}$, which enables instructed 3D-aware portrait editing from a single open-world image with human instructions. At its core lies a conditional latent 3D diffusion process that lifts 2D editing to 3D space by learning the correlation between the paired images' difference and the instructions via triplet data. With the help of our proposed token position randomization strategy, we could even achieve multi-semantic editing through one single pass with the portrait identity well-preserved. Besides, we further propose an identity consistency module that directly modulates the extracted identity signals into our diffusion process, which increases the multi-view 3D identity consistency. Extensive experiments verify the effectiveness of our method and show its superiority against strong baselines quantitatively and qualitatively. Source code and pretrained models can be found on our project page: https://mybabyyh.github.io/InstructPix2NeRF.

Sampling-based algorithms, which eliminate "unimportant" computations during forward and/or backpropagation (BP), offer potential solutions to accelerate neural network training. However, since sampling introduces approximations to training, such algorithms may not consistently maintain accuracy across various tasks. In this work, we introduce a variance-controlled adaptive sampling (VCAS) method designed to minimize the computational load of BP. VCAS computes an unbiased stochastic gradient with fine-grained layerwise importance sampling in data dimension for activation gradient calculation and leverage score sampling in token dimension for weight gradient calculation. To preserve accuracy, we control the additional variance introduced by learning the sample ratio jointly with model parameters during training. We assessed VCAS on multiple fine-tuning and pre-training tasks in both vision and natural language domains. On all the tasks, VCAS can preserve the original training loss trajectory and validation accuracy with an up to 73.87% FLOPs reduction of BP and 49.58% FLOPs reduction of the whole training process. The implementation is available at https://github.com/thu-ml/VCAS.

The vulnerability of deep neural networks to adversarial patches has motivated numerous defense strategies for boosting model robustness. However, the prevailing defenses depend on single observation or pre-established adversary information to counter adversarial patches, often failing to be confronted with unseen or adaptive adversarial attacks and easily exhibiting unsatisfying performance in dynamic 3D environments. Inspired by active human perception and recurrent feedback mechanisms, we develop Embodied Active Defense (EAD), a proactive defensive strategy that actively contextualizes environmental information to address misaligned adversarial patches in 3D real-world settings. To achieve this, EAD develops two central recurrent sub-modules, i.e., a perception module and a policy module, to implement two critical functions of active vision. These models recurrently process a series of beliefs and observations, facilitating progressive refinement of their comprehension of the target object and enabling the development of strategic actions to counter adversarial patches in 3D environments. To optimize learning efficiency, we incorporate a differentiable approximation of environmental dynamics and deploy patches that are agnostic to the adversary’s strategies. Extensive experiments demonstrate that EAD substantially enhances robustness against a variety of patches within just a few steps through its action policy in safety-critical tasks (e.g., face recognition and object detection), without compromising standard accuracy. Furthermore, due to the attack-agnostic characteristic, EAD facilitates excellent generalization to unseen attacks, diminishing the averaged attack success rate by 95% across a range of unseen adversarial attacks.

Diffusion models have been applied to improve adversarial robustness of image classifiers by purifying the adversarial noises or generating realistic data for adversarial training. However, diffusion-based purification can be evaded by stronger adaptive attacks while adversarial training does not perform well under unseen threats, exhibiting inevitable limitations of these methods. To better harness the expressive power of diffusion models, this paper proposes Robust Diffusion Classifier (RDC), a generative classifier that is constructed from a pre-trained diffusion model to be adversarially robust. RDC first maximizes the data likelihood of a given input and then predicts the class probabilities of the optimized input using the conditional likelihood estimated by the diffusion model through Bayes’ theorem. To further reduce the computational cost, we propose a new diffusion backbone called multi-head diffusion and develop efficient sampling strategies. As RDC does not require training on particular adversarial attacks, we demonstrate that it is more generalizable to defend against multiple unseen threats. In particular, RDC achieves $75.67%$ robust accuracy against various $\ell_\infty$ norm-bounded adaptive attacks with $\epsilon_\infty=8/255$ on CIFAR-10, surpassing the previous state-of-the-art adversarial training models by $+4.77%$. The results highlight the potential of generative classifiers by employing pre-trained diffusion models for adversarial robustness compared with the commonly studied discriminative classifiers.

This paper studies the challenging black-box adversarial attack that aims to generate adversarial examples against a black-box model by only using output feedback of the model to input queries. Some previous methods improve the query efficiency by incorporating the gradient of a surrogate white-box model into query-based attacks due to the adversarial transferability. However, the localized gradient is not informative enough, making these methods still query-intensive. In this paper, we propose a Prior-guided Bayesian Optimization (P-BO) algorithm that leverages the surrogate model as a global function prior in black-box adversarial attacks. As the surrogate model contains rich prior information of the black-box one, P-BO models the attack objective with a Gaussian process whose mean function is initialized as the surrogate model's loss. Our theoretical analysis on the regret bound indicates that the performance of P-BO may be affected by a bad prior. Therefore, we further propose an adaptive integration strategy to automatically adjust a coefficient on the function prior by minimizing the regret bound. Extensive experiments on image classifiers and large vision-language models demonstrate the superiority of the proposed algorithm in reducing queries and improving attack success rates compared with the state-of-the-art black-box attacks. Code is available at https://github.com/yibo-miao/PBO-Attack.

Pre-training has been investigated to improve the efficiency and performance of training neural operators in data-scarce settings. However, it is largely in its infancy due to the inherent complexity and diversity, such as long trajectories, multiple scales and varying dimensions of partial differential equations (PDEs) data. In this paper, we present a new auto-regressive denoising pre-training strategy, which allows for more stable and efficient pre-training on PDE data and generalizes to various downstream tasks. Moreover, by designing a flexible and scalable model architecture based on Fourier attention, we can easily scale up the model for large-scale pre-training. We train our PDE foundation model with up to 0.5B parameters on 10+ PDE datasets with more than 100k trajectories. Extensive experiments show that we achieve SOTA on these benchmarks and validate the strong generalizability of our model to significantly enhance performance on diverse downstream PDE tasks like 3D data.

Training large transformers is slow, but recent innovations on GPU architecture give us an advantage. NVIDIA Ampere GPUs can execute a fine-grained 2:4 sparse matrix multiplication twice as fast as its dense equivalent. In the light of this property, we comprehensively investigate the feasibility of accelerating feed-forward networks (FFNs) of transformers in pre-training. First, we define a “flip rate” to monitor the stability of a 2:4 training process. Utilizing this metric, we propose three techniques to preserve accuracy: to modify the sparse-refined straight-through estimator by applying the masked decay term on gradients, to determine a feasible decay factor in warm-up stage, and to enhance the model’s quality by a dense fine-tuning procedure near the end of pre-training. Besides, we devise two techniques to practically accelerate training: to calculate transposable 2:4 masks by convolution, and to accelerate gated activation functions by reducing GPU L2 cache miss. Experiments show that our 2:4 sparse training algorithm achieves similar convergence to dense training algorithms on several transformer pre-training tasks, while actual acceleration can be observed on different shapes of transformer block apparently. Our toolkit is available at https://github.com/huyz2023/2by4-pretrain.

The alignment of language models with human preferences is vital for their application in real-world tasks. The problem is formulated as optimizing the model's policy to maximize the expected reward that reflects human preferences with minimal deviation from the initial policy. While considered as a straightforward solution, reinforcement learning (RL) suffers from high variance in policy updates, which impedes efficient policy improvement. Recently, direct preference optimization (DPO) was proposed to directly optimize the policy from preference data. However, we show that DPO derived based on the optimal solution of the problem leads to a compromised mean-seeking approximation of the optimal solution in practice. In this paper, we propose efficient exact optimization (EXO) of the alignment objective. EXO is guaranteed to optimize in the same direction as RL algorithms asymptotically for arbitrary policy parametrization. This leads to the same mode-seeking solution, while enables efficient optimization by circumventing the complexities of RL. We also compare our method to DPO with both theoretical and empirical analyses, and further demonstrate the advantages of our method over existing approaches on realistic human preference data. Code is available at https://github.com/haozheji/exact-optimization.

Transformer has shown promise in reinforcement learning to model time-varying features for obtaining generalized low-level robot policies on diverse robotics datasets in embodied learning. However, it still suffers from the issues of low data efficiency and high inference latency. In this paper, we propose to investigate the task from a new perspective of the frequency domain. We first observe that the energy density in the frequency domain of a robot's trajectory is mainly concentrated in the low-frequency part. Then, we present the Fourier Controller Network (FCNet), a new network that uses Short-Time Fourier Transform (STFT) to extract and encode time-varying features through frequency domain interpolation. In order to do real-time decision-making, we further adopt FFT and Sliding DFT methods in the model architecture to achieve parallel training and efficient recurrent inference. Extensive results in both simulated (e.g., D4RL) and real-world environments (e.g., robot locomotion) demonstrate FCNet's substantial efficiency and effectiveness over existing methods such as Transformer, e.g., FCNet outperforms Transformer on multi-environmental robotics datasets of all types of sizes (from 1.9M to 120M). The project page and code can be found https://thkkk.github.io/fcnet.

Pretraining transformers are generally time-consuming. Fully quantized training (FQT) is a promising approach to speed up pretraining. However, most FQT methods adopt a quantize-compute-dequantize procedure, which often leads to suboptimal speedup and significant performance degradation when used in transformers due to the high memory access overheads and low-precision computations. In this work, we propose Jetfire, an efficient and accurate INT8 training method specific to transformers. Our method features an INT8 data flow to optimize memory access and a per-block quantization method to maintain the accuracy of pretrained transformers. Extensive experiments demonstrate that our INT8 FQT method achieves comparable accuracy to the FP16 training baseline and outperforms the existing INT8 training works for transformers. Moreover, for a standard transformer block, our method offers an end-to-end training speedup of 1.42x and a 1.49x memory reduction compared to the FP16 baseline.

Video generative models are receiving particular attention given their ability to generate realistic and imaginative frames. Besides, these models are also observed to exhibit strong 3D consistency, significantly enhancing their potential to act as world simulators. In this work, we present Vidu4D, a novel reconstruction model that excels in accurately reconstructing 4D (i.e., sequential 3D) representations from single generated videos, addressing challenges associated with non-rigidity and frame distortion. This capability is pivotal for creating high-fidelity virtual contents that maintain both spatial and temporal coherence. At the core of Vidu4D is our proposed Dynamic Gaussian Surfels (DGS) technique. DGS optimizes time-varying warping functions to transform Gaussian surfels (surface elements) from a static state to a dynamically warped state. This transformation enables a precise depiction of motion and deformation over time. To preserve the structural integrity of surface-aligned Gaussian surfels, we design the warped-state geometric regularization based on continuous warping fields for estimating normals. Additionally, we learn refinements on rotation and scaling parameters of Gaussian surfels, which greatly alleviates texture flickering during the warping process and enhances the capture of fine-grained appearance details. Vidu4D also contains a novel initialization state that provides a proper start for the warping fields in DGS. Equipping Vidu4D with an existing video generative model, the overall framework demonstrates high-fidelity text-to-4D generation in both appearance and geometry.

Diffusion models have obtained substantial progress in image-to-video generation. However, in this paper, we find that these models tend to generate videos with less motion than expected. We attribute this to the issue called conditional image leakage, where the image-to-video diffusion models (I2V-DMs) tend to over-rely on the conditional image at large time steps. We further address this challenge from both inference and training aspects. First, we propose to start the generation process from an earlier time step to avoid the unreliable large-time steps of I2V-DMs, as well as an initial noise distribution with optimal analytic expressions (Analytic-Init) by minimizing the KL divergence between it and the actual marginal distribution to bridge the training-inference gap. Second, we design a time-dependent noise distribution (TimeNoise) for the conditional image during training, applying higher noise levels at larger time steps to disrupt it and reduce the model's dependency on it. We validate these general strategies on various I2V-DMs on our collected open-domain image benchmark and the UCF101 dataset. Extensive results show that our methods outperform baselines by producing higher motion scores with lower errors while maintaining image alignment and temporal consistency, thereby yielding superior overall performance and enabling more accurate motion control. The project page: \url{https://cond-image-leak.github.io/}.

Generative learning, recognized for its effective modeling of data distributions, offers inherent advantages in handling out-of-distribution instances, especially for enhancing robustness to adversarial attacks. Among these, diffusion classifiers, utilizing powerful diffusion models, have demonstrated superior empirical robustness. However, a comprehensive theoretical understanding of their robustness is still lacking, raising concerns about their vulnerability to stronger future attacks. In this study, we prove that diffusion classifiers possess $O(1)$ Lipschitzness, and establish their certified robustness, demonstrating their inherent resilience. To achieve non-constant Lipschitzness, thereby obtaining much tighter certified robustness, we generalize diffusion classifiers to classify Gaussian-corrupted data. This involves deriving the evidence lower bounds (ELBOs) for these distributions, approximating the likelihood using the ELBO, and calculating classification probabilities via Bayes' theorem. Experimental results show the superior certified robustness of these Noised Diffusion Classifiers (NDCs). Notably, we achieve over 80\% and 70\% certified robustness on CIFAR-10 under adversarial perturbations with \(\ell_2\) norms less than 0.25 and 0.5, respectively, using a single off-the-shelf diffusion model without any additional data.

User intentions are typically formalized as evaluation rewards to be maximized when fine-tuning language models (LMs). Existing alignment methods, such as Direct Preference Optimization (DPO), are mainly tailored for pairwise preference data where rewards are implicitly defined rather than explicitly given. In this paper, we introduce a general framework for LM alignment, leveraging Noise Contrastive Estimation (NCE) to bridge the gap in handling reward datasets explicitly annotated with scalar evaluations. Our framework comprises two parallel algorithms, NCA and InfoNCA, both enabling the direct extraction of an LM policy from reward data as well as preference data. Notably, we show that the DPO loss is a special case of our proposed InfoNCA objective under pairwise preference settings, thereby integrating and extending current alignment theories. By comparing NCA and InfoNCA, we demonstrate that the well-observed decreasing-likelihood trend of DPO/InfoNCA is caused by their focus on adjusting relative likelihood across different responses. In contrast, NCA optimizes the absolute likelihood for each response, thereby effectively preventing the chosen likelihood from decreasing. We evaluate our methods in both reward and preference settings with Mistral-8$\times$7B and 7B models. Experiments suggest that InfoNCA/NCA surpasses various preference baselines when reward datasets are available. We also find NCA significantly outperforms DPO in complex reasoning tasks like math and coding.

Drawing upon recent advances in language model alignment, we formulate offline Reinforcement Learning as a two-stage optimization problem: First pretraining expressive generative policies on reward-free behavior datasets, then finetuning these policies to align with task-specific annotations like Q-values. This strategy allows us to leverage abundant and diverse behavior data to enhance generalization and enable rapid adaptation to downstream tasks using minimal annotations. In particular, we introduce Efficient Diffusion Alignment (EDA) for solving continuous control problems. EDA utilizes diffusion models for behavior modeling. However, unlike previous approaches, we represent diffusion policies as the derivative of a scalar neural network with respect to action inputs. This representation is critical because it enables direct density calculation for diffusion models, making them compatible with existing LLM alignment theories. During policy fine-tuning, we extend preference-based alignment methods like Direct Preference Optimization (DPO) to align diffusion behaviors with continuous Q-functions. Our evaluation on the D4RL benchmark shows that EDA exceeds all baseline methods in overall performance. Notably, EDA maintains about 95\% of performance and still outperforms several baselines given only 1\% of Q-labelled data during fine-tuning.

While significant progress has been made on Physics-Informed Neural Networks (PINNs), a comprehensive comparison of these methods across a wide range of Partial Differential Equations (PDEs) is still lacking. This study introduces PINNacle, a benchmarking tool designed to fill this gap. PINNacle provides a diverse dataset, comprising over 20 distinct PDEs from various domains, including heat conduction, fluid dynamics, biology, and electromagnetics. These PDEs encapsulate key challenges inherent to real-world problems, such as complex geometry, multi-scale phenomena, nonlinearity, and high dimensionality. PINNacle also offers a user-friendly toolbox, incorporating about 10 state-of-the-art PINN methods for systematic evaluation and comparison. We have conducted extensive experiments with these methods, offering insights into their strengths and weaknesses. In addition to providing a standardized means of assessing performance, PINNacle also offers an in-depth analysis to guide future research, particularly in areas such as domain decomposition methods and loss reweighting for handling multi-scale problems and complex geometry. To the best of our knowledge, it is the largest benchmark with a diverse and comprehensive evaluation that will undoubtedly foster further research in PINNs.

Diffusion models (DMs) have become the dominant paradigm of generative modeling in a variety of domains by learning stochastic processes from noise to data. Recently, diffusion denoising bridge models (DDBMs), a new formulation of generative modeling that builds stochastic processes between fixed data endpoints based on a reference diffusion process, have achieved empirical success across tasks with coupled data distribution, such as image-to-image translation. However, DDBM's sampling process typically requires hundreds of network evaluations to achieve decent performance, which may impede their practical deployment due to high computational demands. In this work, inspired by the recent advance of consistency models in DMs, we tackle this problem by learning the consistency function of the probability-flow ordinary differential equation (PF-ODE) of DDBMs, which directly predicts the solution at a starting step given any point on the ODE trajectory. Based on a dedicated general-form ODE solver, we propose two paradigms: consistency bridge distillation and consistency bridge training, which is flexible to apply on DDBMs with broad design choices. Experimental results show that our proposed method could sample $4\times$ to $50\times$ faster than the base DDBM and produce better visual quality given the same step in various tasks with pixel resolution ranging from $64 \times 64$ to $256 \times 256$, as well as supporting downstream tasks such as semantic interpolation in the data space.

Training deep neural networks (DNNs) is costly. Fortunately, Nvidia Ampere and Hopper GPUs can accelerate matrix multiplications twice as fast as a dense equivalent by implementing 2:4 sparsity. However, previous STE-based 2:4 pre-training methods (\eg~STE with hard-thresholding, SR-STE) suffer from optimization difficulties because of discontinuous pruning function. In this study, we comprehensively analyse the bottleneck of traditional N:M sparse training and recognize three drawbacks with discontinuity: incorrect descending direction, inability to predict the amount of descent and sparse mask oscillation. In the light of this statement, we propose S-STE, a simple yet powerful 2:4 training method that contains two parts: to continuously project weights to be 2:4 sparse, and to rescale sparse weights with a per-tensor fixed scaling factor. Besides, we adopt minimum-variance unbiased estimation for activation gradient and FP8 quantization for whole process. Results show that our method surpass previous 2:4 pre-training recipes and is comparable even with full parameter models.

Generative Adversarial Imitation Learning (GAIL) provides a promising approach to training a generative policy to imitate a demonstrator. It uses on-policy Reinforcement Learning (RL) to optimize a reward signal derived from an adversarial discriminator. However, optimizing GAIL is difficult in practise, with the training loss oscillating during training, slowing convergence. This optimization instability can prevent GAIL from finding a good policy, harming its final performance. In this paper, we study GAIL’s optimization from a control-theoretic perspective. We show that GAIL cannot converge to the desired equilibrium. In response, we analyze the training dynamics of GAIL in function space and design a novel controller that not only pushes GAIL to the desired equilibrium but also achieves asymptotic stability in a simplified “one-step” setting. Going from theory to practice, we propose Controlled-GAIL (C-GAIL), which adds a differentiable regularization term on the GAIL objective to stabilize training. Empirically, the C-GAIL regularizer improves the training of various existing GAIL methods, including the popular GAIL-DAC, by speeding up the convergence, reducing the range of oscillation, and matching the expert distribution more closely.

The recent development of Sora leads to a new era in text-to-video (T2V) generation. Along with this comes the rising concern about its safety risks. The generated videos may contain illegal or unethical content, and there is a lack of comprehensive quantitative understanding of their safety, posing a challenge to their reliability and practical deployment. Previous evaluations primarily focus on the quality of video generation. While some evaluations of text-to-image models have considered safety, they cover limited aspects and do not address the unique temporal risk inherent in video generation. To bridge this research gap, we introduce T2VSafetyBench, the first comprehensive benchmark for conducting safety-critical assessments of text-to-video models. We define 4 primary categories with 14 critical aspects of video generation safety and construct a malicious prompt dataset including real-world prompts, LLM-generated prompts, and jailbreak attack-based prompts. We then conduct a thorough safety evaluation on 9 recently released T2V models. Based on our evaluation results, we draw several important findings, including: 1) no single model excels in all aspects, with different models showing various strengths; 2) the correlation between GPT-4 assessments and manual reviews is generally high; 3) there is a trade-off between the usability and safety of text-to-video generative models. This indicates that as the field of video generation rapidly advances, safety risks are set to surge, highlighting the urgency of prioritizing video safety. We hope that T2VSafetyBench can provide insights for better understanding the safety of video generation in the era of generative AIs. Our code is publicly available at \url{https://github.com/yibo-miao/T2VSafetyBench}.

Designing generalizable agents capable of adapting to diverse embodiments has achieved significant attention in Reinforcement Learning (RL), which is critical for deploying RL agents in various real-world applications. Previous Cross-Embodiment RL approaches have focused on transferring knowledge across embodiments within specific tasks. These methods often result in knowledge tightly coupled with those tasks and fail to adequately capture the distinct characteristics of different embodiments. To address this limitation, we introduce the notion of Cross-Embodiment Unsupervised RL (CEURL), which leverages unsupervised learning to enable agents to acquire embodiment-aware and task-agnostic knowledge through online interactions within reward-free environments. We formulate CEURL as a novel Controlled Embodiment Markov Decision Process (CE-MDP) and systematically analyze CEURL's pre-training objectives under CE-MDP. Based on these analyses, we develop a novel algorithm Pre-trained Embodiment-Aware Control (PEAC) for handling CEURL, incorporating an intrinsic reward function specifically designed for cross-embodiment pre-training. PEAC not only provides an intuitive optimization strategy for cross-embodiment pre-training but also can integrate flexibly with existing unsupervised RL methods, facilitating cross-embodiment exploration and skill discovery. Extensive experiments in both simulated (e.g., DMC and Robosuite) and real-world environments (e.g., legged locomotion) demonstrate that PEAC significantly improves adaptation performance and cross-embodiment generalization, demonstrating its effectiveness in overcoming the unique challenges of CEURL. The project page and code are in https://yingchengyang.github.io/ceurl.

Despite the superior capabilities of Multimodal Large Language Models (MLLMs) across diverse tasks, they still face significant trustworthiness challenges. Yet, current literature on the assessment of trustworthy MLLMs remains limited, lacking a holistic evaluation to offer thorough insights into future improvements. In this work, we establish MultiTrust, the first comprehensive and unified benchmark on the trustworthiness of MLLMs across five primary aspects: truthfulness, safety, robustness, fairness, and privacy. Our benchmark employs a rigorous evaluation strategy that addresses both multimodal risks and cross-modal impacts, encompassing 32 diverse tasks with self-curated datasets. Extensive experiments with 21 modern MLLMs reveal some previously unexplored trustworthiness issues and risks, highlighting the complexities introduced by the multimodality and underscoring the necessity for advanced methodologies to enhance their reliability. For instance, typical proprietary models still struggle with the perception of visually confusing images and are vulnerable to multimodal jailbreaking and adversarial attacks; MLLMs are more inclined to disclose privacy in text and reveal ideological and cultural biases even when paired with irrelevant images in inference, indicating that the multimodality amplifies the internal risks from base LLMs. Additionally, we release a scalable toolbox for standardized trustworthiness research, aiming to facilitate future advancements in this important field. Code and resources are publicly available at: https://multi-trust.github.io/.

Autoregressively trained transformers have brought a profound revolution to the world, especially with their in-context learning (ICL) ability to address downstream tasks. Recently, several studies suggest that transformers learn a mesa-optimizer during autoregressive (AR) pretraining to implement ICL. Namely, the forward pass of the trained transformer is equivalent to optimizing an inner objective function in-context. However, whether the practical non-convex training dynamics will converge to the ideal mesa-optimizer is still unclear. Towards filling this gap, we investigate the non-convex dynamics of a one-layer linear causal self-attention model autoregressively trained by gradient flow, where the sequences are generated by an AR process $x_{t+1} = W x_t$. First, under a certain condition of data distribution, we prove that an autoregressively trained transformer learns $W$ by implementing one step of gradient descent to minimize an ordinary least squares (OLS) problem in-context. It then applies the learned $\widehat{W}$ for next-token prediction, thereby verifying the mesa-optimization hypothesis. Next, under the same data conditions, we explore the capability limitations of the obtained mesa-optimizer. We show that a stronger assumption related to the moments of data is the sufficient and necessary condition that the learned mesa-optimizer recovers the distribution. Besides, we conduct exploratory analyses beyond the first data condition and prove that generally, the trained transformer will not perform vanilla gradient descent for the OLS problem. Finally, our simulation results verify the theoretical results.

To cope with real-world dynamics, an intelligent system needs to incrementally acquire, update, accumulate, and exploit knowledge throughout its lifetime. This ability, known as continual learning, provides a foundation for AI systems to develop themselves adaptively. In a general sense, continual learning is explicitly limited by catastrophic forgetting, where learning a new task usually results in a dramatic performance drop of the old tasks. Beyond this, increasingly numerous advances have emerged in recent years that largely extend the understanding and application of continual learning. The growing and widespread interest in this direction demonstrates its realistic significance as well as complexity. In this work, we present a comprehensive survey of continual learning, seeking to bridge the basic settings, theoretical foundations, representative methods, and practical applications. Based on existing theoretical and empirical results, we summarize the general objectives of continual learning as ensuring a proper stability-plasticity trade-off and an adequate intra/inter-task generalizability in the context of resource efficiency. Then we provide a state-of-the-art and elaborated taxonomy, extensively analyzing how representative strategies address continual learning, and how they are adapted to particular challenges in various applications. Through an in-depth discussion of promising directions, we believe that such a holistic perspective can greatly facilitate subsequent exploration in this field and beyond.

Recently, there exists an increased research interest in embodied artificial intelligence (EAI), which involves an agent learning to perform a specific task when dynamically interacting with the surrounding 3D environment. There into, a new challenge is that many unseen objects may appear due to the increased number of object categories in 3D scenes. It makes developing models with strong zero-shot generalization ability to new objects necessary. Existing work tries to achieve this goal by providing embodied agents with massive high-quality human annotations closely related to the task to be learned, while it is too costly in practice. Inspired by recent advances in pre-trained models in 2D visual tasks, we attempt to boost zero-shot generalization for embodied reasoning with vision-language pre-training that can encode common sense as general prior knowledge. To further improve its performance on a specific task, we rectify the pre-trained representation through masked scene graph modeling (MSGM) in a self-supervised manner, where the task-specific knowledge is learned from iterative message passing. Our method can improve a variety of representative embodied reasoning tasks by a large margin (e.g., over 5.0% w.r.t. answer accuracy on MP3D-EQA dataset that consists of many real-world scenes with a large number of new objects during testing), and achieve the new state-of-the-art performance.

Neural-symbolic models provide a powerful tool to tackle complex visual reasoning tasks by combining symbolic program execution for reasoning and deep representation learning for visual recognition. A probabilistic formulation of such models with stochastic latent variables can obtain an interpretable and legible reasoning system with less supervision. However, it is still nontrivial to generate reasonable symbolic structures without the guidance of domain knowledge, since it generally involves an optimization problem with both continuous and discrete variables. Despite the challenges, the interpretability of such symbolic structures provides an interface to regularize their generation by domain knowledge. In this article, we propose to incorporate the available domain knowledge into the learning process of probabilistic neural-symbolic (PNS) models via posterior constraints that directly regularize the structure posterior. In this way, our model is able to identify a middle point where the structure generation process mainly learns from data but also selectively borrows information from domain knowledge. We further present inductive reasoning where the posterior constraints can be automatically reweighted to handle noisy annotations. The experimental results show that our method achieves state-of-the-art performance on major abstract reasoning datasets and enjoys good generalization capability and data efficiency.

Machine learning methods suffer from test-time performance degeneration when faced with out-of-distribution (OoD) data whose distribution is not necessarily the same as training data distribution. Although a plethora of algorithms have been proposed to mitigate this issue, it has been demonstrated that achieving better performance than ERM simultaneously on different types of distributional shift datasets is challenging for existing approaches. Besides, it is unknown how and to what extent these methods work on any OoD datum without theoretical guarantees. In this paper, we propose a certifiable out-of-distribution generalization method that provides provable OoD generalization performance guarantees via a functional optimization framework leveraging random distributions and max-margin learning for each input datum. With this approach, the proposed algorithmic scheme can provide certified accuracy for each input datum's prediction on the semantic space and achieves better performance simultaneously on OoD datasets dominated by correlation shifts or diversity shifts. Our code is available at https://github.com/ZlatanWilliams/StochasticDisturbanceLearning.

In this paper, we study the problem of visual grounding by considering both phrase extraction and grounding (PEG). In contrast to the previous phrase-known-at-test setting, PEG requires a model to extract phrases from text and locate objects from image simultaneously, which is a more practical setting in real applications. As phrase extraction can be regarded as a 1D text segmentation problem, we formulate PEG as a dual detection problem and propose a novel DQ-DETR model, which introduces dual queries to probe different features from image and text for object prediction and phrase mask prediction. Each pair of dual queries are designed to have shared positional parts but different content parts. Such a design effectively alleviates the difficulty of modality alignment between image and text (in contrast to a single query design) and empowers Transformer decoder to leverage phrase mask-guided attention to improve the performance. To evaluate the performance of PEG, we also propose a new metric CMAP (cross-modal average precision), analogous to the AP metric in object detection. The new metric overcomes the ambiguity of Recall@1 in many-box-to-one-phrase cases in phrase grounding. As a result, our PEG pre-trained DQ-DETR establishes new state-of-the-art results on all visual grounding benchmarks with a ResNet-101 backbone. For example, it achieves 91.04% and 83.51% in terms of recall rate on RefCOCO testA and testB with a ResNet-101 backbone.

Vision transformers (ViT) have shown promise in various vision tasks while the U-Net based on a convolutional neural network (CNN) remains dominant in diffusion models. We design a simple and general ViT-based architecture (named U-ViT) for image generation with diffusion models. U-ViT is characterized by treating all inputs including the time, condition and noisy image patches as tokens and employing long skip connections between shallow and deep layers. We evaluate U-ViT in unconditional and classconditional image generation, as well as text-to-image generation tasks, where U-ViT is comparable if not superior to a CNN-based U-Net of a similar size. In particular, latent diffusion models with U-ViT achieve record-breaking FID scores of 2.29 in class-conditional image generation on ImageNet 256×256, and 5.48 in text-to-image generation on MS-COCO, among methods without accessing large external datasets during the training of generative models. Our results suggest that, for diffusion-based image modeling, the long skip connection is crucial while the down-sampling and upsampling operators in CNN-based U-Net are not always necessary. We believe that U-ViT can provide insights for future research on backbones in diffusion models and benefit generative modeling on large scale cross-modality datasets.

3D object detection is an important task in autonomous driving to perceive the surroundings. Despite the excellent performance, the existing 3D detectors lack the robustness to real-world corruptions caused by adverse weathers, sensor noises, etc., provoking concerns about the safety and reliability of autonomous driving systems. To comprehensively and rigorously benchmark the corruption robustness of 3D detectors, in this paper we design 27 types of common corruptions for both LiDAR and camera inputs considering realworld driving scenarios. By synthesizing these corruptions on public datasets, we establish three corruption robustness benchmarks-KITTI-C, nuScenes-C, and Waymo-C. Then, we conduct large-scale experiments on 24 diverse 3D object detection models to evaluate their corruption robustness. Based on the evaluation results, we draw several important findings, including: 1) motion-level corruptions are the most threatening ones that lead to significant performance drop of all models; 2) LiDAR-camerafusion models demonstrate better robustness; 3) camera-only models are extremely vulnerable to image corruptions, showing the indispensability of LiDAR point clouds. We release the benchmarks and codes at https://github.com/thu-ml/3D_Corruptions_AD to be helpful for future studies.

We study the 3D-aware image attribute editing problem in this paper, which has wide applications in practice. Recent methods solved the problem by training a shared encoder to map images into a 3D generator's latent space or by per-image latent code optimization and then edited images in the latent space. Despite their promising results near the input view, they still suffer from the 3D inconsistency of produced images at large camera poses and imprecise image attribute editing, like affecting unspecified attributes during editing. For more efficient image inversion, we train a shared encoder for all images. To alleviate 3D inconsistency at large camera poses, we propose two novel methods, an alternating training scheme and a multi-view identity loss, to maintain 3D consistency and subject identity. As for imprecise image editing, we attribute the problem to the gap between the latent space of real images and that of generated images. We compare the latent space and inversion manifold of GAN models and demonstrate that editing in the inversion manifold can achieve better results in both quantitative and qualitative evaluations. Extensive experiments show that our method produces more 3D consistent images and achieves more precise image editing than previous work. Source code and pretrained models can be found on our project page: https://mybabyyh.github.io/Preim3D/.

Face recognition is a prevailing authentication solution in numerous biometric applications. Physical adversarial attacks, as an important surrogate, can identify the weak-nesses of face recognition systems and evaluate their ro-bustness before deployed. However, most existing physical attacks are either detectable readily or ineffective against commercial recognition systems. The goal of this work is to develop a more reliable technique that can carry out an end-to-end evaluation of adversarial robustness for commercial systems. It requires that this technique can simultaneously deceive black-box recognition models and evade defensive mechanisms. To fulfill this, we design adversarial textured 3D meshes (AT3D) with an elaborate topology on a human face, which can be 3D-printed and pasted on the attacker's face to evade the defenses. However, the mesh-based op-timization regime calculates gradients in high-dimensional mesh space, and can be trapped into local optima with un-satisfactory transferability. To deviate from the mesh-based space, we propose to perturb the low-dimensional coefficient space based on 3D Morphable Model, which signifi-cantly improves black-box transferability meanwhile enjoying faster search efficiency and better visual quality. Exten-sive experiments in digital and physical scenarios show that our method effectively explores the security vulnerabilities of multiple popular commercial services, including three recognition A PIs, four anti-spoofing A PIs, two prevailing mobile phones and two automated access control systems.

This paper is concerned with the matching stability problem across different decoder layers in DEtection TRansformers (DETR). We point out that the unstable matching in DETR is caused by a multi-optimization path problem, which is highlighted by the one-to-one matching design in DETR. To address this problem, we show that the most important design is to use and only use positional metrics (like IOU) to supervise classification scores of positive examples. Under the principle, we propose two simple yet effective modifications by integrating positional metrics to DETR’s classification loss and matching cost, named position-supervised loss and position-modulated cost. We verify our methods on several DETR variants. Our methods show consistent improvements over baselines. By integrating our methods with DINO, we achieve 50.4 and 51.5 AP on the COCO detection benchmark using ResNet-50 backbones under 1× (12 epochs) and 2× (24 epochs) training settings, achieving a new record under the same setting. We achieve 63.8 AP on COCO detection test-dev with a Swin-Large backbone. Our code will be made available at https://github.com/IDEA-Research/Stable-DINO.

Guided sampling is a vital approach for applying diffusion models in real-world tasks that embeds human-defined guidance during the sampling procedure. This paper considers a general setting where the guidance is defined by an (unnormalized) energy function. The main challenge for this setting is that the intermediate guidance during the diffusion sampling procedure, which is jointly defined by the sampling distribution and the energy function, is unknown and is hard to estimate. To address this challenge, we propose an exact formulation of the intermediate guidance as well as a novel training objective named contrastive energy prediction (CEP) to learn the exact guidance. Our method is guaranteed to converge to the exact guidance under unlimited model capacity and data samples, while previous methods can not. We demonstrate the effectiveness of our method by applying it to offline reinforcement learning (RL). Extensive experiments on D4RL benchmarks demonstrate that our method outperforms existing state-of-the-art algorithms. We also provide some examples of applying CEP for image synthesis to demonstrate the scalability of CEP on high-dimensional data.

This paper proposes a unified diffusion framework (dubbed UniDiffuser) to fit all distributions relevant to a set of multi-modal data in one model. Our key insight is – learning diffusion models for marginal, conditional, and joint distributions can be unified as predicting the noise in the perturbed data, where the perturbation levels (i.e. timesteps) can be different for different modalities. Inspired by the unified view, UniDiffuser learns all distributions simultaneously with a minimal modification to the original diffusion model – perturbs data in all modalities instead of a single modality, inputs individual timesteps in different modalities, and predicts the noise of all modalities instead of a single modality. UniDiffuser is parameterized by a transformer for diffusion models to handle input types of different modalities. Implemented on large-scale paired image-text data, UniDiffuser is able to perform image, text, text-to-image, image-to-text, and image-text pair generation by setting proper timesteps without additional overhead. In particular, UniDiffuser is able to produce perceptually realistic samples in all tasks and its quantitative results (e.g., the FID and CLIP score) are not only superior to existing general-purpose models but also comparable to the bespoken models (e.g., Stable Diffusion and DALL-E 2) in representative tasks (e.g., text-to-image generation).

Learning partial differential equations’ (PDEs) solution operators is an essential problem in machine learning. However, there are several challenges for learning operators in practical applications like the irregular mesh, multiple input functions, and complexity of the PDEs’ solution. To address these challenges, we propose a general neural operator transformer (GNOT), a scalable and effective transformer-based framework for learning operators. By designing a novel heterogeneous normalized attention layer, our model is highly flexible to handle multiple input functions and irregular meshes. Besides, we introduce a geometric gating mechanism which could be viewed as a soft domain decomposition to solve the multi-scale problems. The large model capacity of the transformer architecture grants our model the possibility to scale to large datasets and practical problems. We conduct extensive experiments on multiple challenging datasets from different domains and achieve a remarkable improvement compared with alternative methods. Our code and data are publicly available at https://github.com/thu-ml/GNOT.

The neural operator has emerged as a powerful tool in learning mappings between function spaces in PDEs. However, when faced with real-world physical data, which are often highly non-uniformly distributed, it is challenging to use mesh-based techniques such as the FFT. To address this, we introduce the Non-Uniform Neural Operator (NUNO), a comprehensive framework designed for efficient operator learning with non-uniform data. Leveraging a K-D tree-based domain decomposition, we transform non-uniform data into uniform grids while effectively controlling interpolation error, thereby paralleling the speed and accuracy of learning from non-uniform data. We conduct extensive experiments on 2D elasticity, (2+1)D channel flow, and a 3D multi-physics heatsink, which, to our knowledge, marks a novel exploration into 3D PDE problems with complex geometries. Our framework has reduced error rates by up to 60% and enhanced training speeds by 2x to 30x. The code is now available at https://github.com/thu-ml/NUNO .

The training process of generative adversarial networks (GANs) is unstable and does not converge globally. In this paper, we examine the stability of GANs from the perspective of control theory and propose a universal higher-order noise-based controller called Brownian Motion Controller (BMC). Starting with the prototypical case of Dirac-GANs, we design a BMC to retrieve precisely the same but reachable optimal equilibrium. We theoretically prove that the training process of DiracGANs-BMC is globally exponential stable and derive bounds on the rate of convergence. Then we extend our BMC to normal GANs and provide implementation instructions on GANs-BMC. Our experiments show that our GANs-BMC effectively stabilizes GANs’ training under StyleGANv2-ada frameworks with a faster rate of convergence, a smaller range of oscillation, and better performance in terms of FID score.

Physics-informed Neural Networks (PINNs) have recently achieved remarkable progress in solving Partial Differential Equations (PDEs) in various fields by minimizing a weighted sum of PDE loss and boundary loss. However, there are several critical challenges in the training of PINNs, including the lack of theoretical frameworks and the imbalance between PDE loss and boundary loss. In this paper, we present an analysis of second-order non-homogeneous PDEs, which are classified into three categories and applicable to various common problems. We also characterize the connections between the training loss and actual error, guaranteeing convergence under mild conditions. The theoretical analysis inspires us to further propose MultiAdam, a scale-invariant optimizer that leverages gradient momentum to parameter-wisely balance the loss terms. Extensive experiment results on multiple problems from different physical domains demonstrate that our MultiAdam solver can improve the predictive accuracy by 1-2 orders of magnitude compared with strong baselines.

Diffusion models have exhibited excellent performance in various domains. The probability flow ordinary differential equation (ODE) of diffusion models (i.e., diffusion ODEs) is a particular case of continuous normalizing flows (CNFs), which enables deterministic inference and exact likelihood evaluation. However, the likelihood estimation results by diffusion ODEs are still far from those of the state-of-the-art likelihood-based generative models. In this work, we propose several improved techniques for maximum likelihood estimation for diffusion ODEs, including both training and evaluation perspectives. For training, we propose velocity parameterization and explore variance reduction techniques for faster convergence. We also derive an error-bounded high-order flow matching objective for finetuning, which improves the ODE likelihood and smooths its trajectory. For evaluation, we propose a novel training-free truncated-normal dequantization to fill the training-evaluation gap commonly existing in diffusion ODEs. Building upon these techniques, we achieve state-of-the-art likelihood estimation results on image datasets (2.56 on CIFAR-10, 3.43/3.69 on ImageNet-32) without variational dequantization or data augmentation.

A large-scale deep model pre-trained on massive labeled or unlabeled data transfers well to downstream tasks. Linear evaluation freezes parameters in the pre-trained model and trains a linear classifier separately, which is efficient and attractive for transfer. However, little work has investigated the classifier in linear evaluation except for the default logistic regression. Inspired by the statistical efficiency of naive Bayes, the paper revisits the classical topic on discriminative vs. generative classifiers. Theoretically, the paper considers the surrogate loss instead of the zero-one loss in analyses and generalizes the classical results from binary cases to multiclass ones. We show that, under mild assumptions, multiclass naive Bayes requires $O(\log n)$ samples to approach its asymptotic error while the corresponding multiclass logistic regression requires $O(n)$ samples, where $n$ is the feature dimension. To establish it, we present a multiclass $\mathcal{H}$-consistency bound framework and an explicit bound for logistic loss, which are of independent interests. Simulation results on a mixture of Gaussian validate our theoretical findings. Experiments on various pre-trained deep vision models show that naive Bayes consistently converges faster as the number of data increases. Besides, naive Bayes shows promise in few-shot cases and we observe the "two regimes” phenomenon in pre-trained supervised models. Our code is available at https://github.com/ML-GSAI/Revisiting-Dis-vs-Gen-Classifiers.

Importance sampling (IS) is a popular technique in off-policy evaluation, which re-weights the return of trajectories in the replay buffer to boost sample efficiency. However, training with IS can be unstable and previous attempts to address this issue mainly focus on analyzing the variance of IS. In this paper, we reveal that the instability is also related to a new notion of Reuse Bias of IS --- the bias in off-policy evaluation caused by the reuse of the replay buffer for evaluation and optimization. We theoretically show that the off-policy evaluation and optimization of the current policy with the data from the replay buffer result in an overestimation of the objective, which may cause an erroneous gradient update and degenerate the performance. We further provide a high-probability upper bound of the Reuse Bias and show that controlling one term of the upper bound can control the Reuse Bias by introducing the concept of stability for off-policy algorithms. Based on these analyses, we present a novel yet simple Bias-Regularized Importance Sampling (BIRIS) framework along with practical algorithms, which can alleviate the negative impact of the Reuse Bias, and show that our BIRIS can significantly reduce the Reuse Bias empirically. Moreover, extensive experimental results show that our BIRIS-based methods can significantly improve the sample efficiency on a series of continuous control tasks in MuJoCo.

Partial differential equations (PDEs) that fit scientific data can represent physical laws with explainable mechanisms for various mathematically-oriented subjects, such as physics and finance. The data-driven discovery of PDEs from scientific data thrives as a new attempt to model complex phenomena in nature, but the effectiveness of current practice is typically limited by the scarcity of data and the complexity of phenomena. Especially, the discovery of PDEs with highly nonlinear coefficients from low-quality data remains largely under-addressed. To deal with this challenge, we propose a novel physics-guided learning method, which can not only encode observation knowledge such as initial and boundary conditions but also incorporate the basic physical principles and laws to guide the model optimization. We theoretically show that our proposed method strictly reduces the coefficient estimation error of existing baselines, and is also robust against noise. Extensive experiments show that the proposed method is more robust against data noise, and can reduce the estimation error by a large margin. Moreover, all the PDEs in the experiments are correctly discovered, and for the first time we are able to discover three-dimensional PDEs with highly nonlinear coefficients.

Large-scale pre-trained models have achieved remarkable success in many applications, but how to leverage them to improve the prediction reliability of downstream models is undesirably under-explored. Moreover, modern neural networks have been found to be poorly calibrated and make overconfident predictions regardless of inherent sample difficulty and data uncertainty. To address this issue, we propose to utilize large-scale pre-trained models to guide downstream model training with sample difficulty-aware entropy regularization. Pre-trained models that have been exposed to large-scale datasets and do not overfit the downstream training classes enable us to measure each training sample’s difficulty via feature-space Gaussian modeling and relative Mahalanobis distance computation. Importantly, by adaptively penalizing overconfident prediction based on the sample difficulty, we simultaneously improve accuracy and uncertainty calibration across challenging benchmarks (e.g., +0.55% ACC and −3.7% ECE on ImageNet1k using ResNet34), consistently surpassing competitive baselines for reliable prediction. The improved uncertainty estimate further improves selective classification (abstaining from erroneous predictions) and out-of-distribution detection.

Mislabeled, duplicated, or biased data in real-world scenarios can lead to prolonged training and even hinder model convergence. Traditional solutions prioritizing easy or hard samples lack the flexibility to handle such a variety simultaneously. Recent work has proposed a more reasonable data selection principle by examining the data's impact on the model's generalization loss. However, its practical adoption relies on less principled approximations and additional holdout data. This work solves these problems by leveraging a lightweight Bayesian treatment and incorporating off-the-shelf zero-shot predictors built on large-scale pre-trained models. The resulting algorithm is efficient and easy to implement. We perform extensive empirical studies on challenging benchmarks with considerable data noise and imbalance in the online batch selection scenario, and observe superior training efficiency over competitive baselines. Notably, on the challenging WebVision benchmark, our method can achieve similar predictive performance with significantly fewer training iterations than leading data selection methods.

Optimizer states are a major source of memory consumption for training neural networks, limiting the maximum trainable model within given memory budget. Compressing the optimizer states from 32-bit floating points to lower bitwidth is promising to reduce the training memory footprint, while the current lowest achievable bitwidth is 8-bit. In this work, we push optimizer states bitwidth down to 4-bit through a detailed empirical analysis of first and second moments. Specifically, we find that moments have complicated outlier patterns, that current block-wise quantization cannot accurately approximate. We use a smaller block size and propose to utilize both row-wise and column-wise information for better quantization. We further identify a zero point problem of quantizing the second moment, and solve this problem with a linear quantizer that excludes the zero point. Our 4-bit optimizers are evaluated on a wide variety of benchmarks including natural language understanding, machine translation, image classification, and instruction tuning. On all the tasks our optimizers can achieve comparable accuracy with their full-precision counterparts, while enjoying better memory efficiency.

Continual learning entails learning a sequence of tasks and balancing their knowledge appropriately. With limited access to old training samples, much of the current work in deep neural networks has focused on overcoming catastrophic forgetting of old tasks in gradient-based optimization. However, the normalization layers provide an exception, as they are updated interdependently by the gradient and statistics of currently observed training samples, which require specialized strategies to mitigate recency bias. In this work, we focus on the most popular Batch Normalization (BN) and provide an in-depth theoretical analysis of its sub-optimality in continual learning. Our analysis demonstrates the dilemma between balance and adaptation of BN statistics for incremental tasks, which potentially affects training stability and generalization. Targeting on these particular challenges, we propose Adaptive Balance of BN (AdaB$^2$N), which incorporates appropriately a Bayesian-based strategy to adapt task-wise contributions and a modified momentum to balance BN statistics, corresponding to the training and testing stages. By implementing BN in a continual learning fashion, our approach achieves significant performance gains across a wide range of benchmarks, particularly for the challenging yet realistic online scenarios (e.g., up to 7.68\%, 6.86\% and 4.26\% on Split CIFAR-10, Split CIFAR-100 and Split Mini-ImageNet, respectively). Our code is available at https://github.com/lvyilin/AdaB2N.

Score distillation sampling (SDS) has shown great promise in text-to-3D generation by distilling pretrained large-scale text-to-image diffusion models, but suffers from over-saturation, over-smoothing, and low-diversity problems. In this work, we propose to model the 3D parameter as a random variable instead of a constant as in SDS and present *variational score distillation* (VSD), a principled particle-based variational framework to explain and address the aforementioned issues in text-to-3D generation. We show that SDS is a special case of VSD and leads to poor samples with both small and large CFG weights. In comparison, VSD works well with various CFG weights as ancestral sampling from diffusion models and simultaneously improves the diversity and sample quality with a common CFG weight (i.e., 7.5). We further present various improvements in the design space for text-to-3D such as distillation time schedule and density initialization, which are orthogonal to the distillation algorithm yet not well explored. Our overall approach, dubbed *ProlificDreamer*, can generate high rendering resolution (i.e., 512$\times$512) and high-fidelity NeRF with rich structure and complex effects (e.g., smoke and drops). Further, initialized from NeRF, meshes fine-tuned by VSD are meticulously detailed and photo-realistic.

Prompt-based continual learning is an emerging direction in leveraging pre-trained knowledge for downstream continual learning, and has almost reached the performance pinnacle under supervised pre-training. However, our empirical research reveals that the current strategies fall short of their full potential under the more realistic self-supervised pre-training, which is essential for handling vast quantities of unlabeled data in practice. This is largely due to the difficulty of task-specific knowledge being incorporated into instructed representations via prompt parameters and predicted by uninstructed representations at test time. To overcome the exposed sub-optimality, we conduct a theoretical analysis of the continual learning objective in the context of pre-training, and decompose it into hierarchical components: within-task prediction, task-identity inference, and task-adaptive prediction. Following these empirical and theoretical insights, we propose Hierarchical Decomposition (HiDe-)Prompt, an innovative approach that explicitly optimizes the hierarchical components with an ensemble of task-specific prompts and statistics of both uninstructed and instructed representations, further with the coordination of a contrastive regularization strategy. Our extensive experiments demonstrate the superior performance of HiDe-Prompt and its robustness to pre-training paradigms in continual learning (e.g., up to 15.01% and 9.61% lead on Split CIFAR-100 and Split ImageNet-R, respectively).

Quantizing the activation, weight, and gradient to 4-bit is promising to accelerate neural network training. However, existing 4-bit training methods require custom numerical formats which are not supported by contemporary hardware. In this work, we propose a training method for transformers with all matrix multiplications implemented with the INT4 arithmetic. Training with an ultra-low INT4 precision is challenging. To achieve this, we carefully analyze the specific structures of activation and gradients in transformers to propose dedicated quantizers for them. For forward propagation, we identify the challenge of outliers and propose a Hadamard quantizer to suppress the outliers. For backpropagation, we leverage the structural sparsity of gradients by proposing bit splitting and leverage score sampling techniques to quantize gradients accurately. Our algorithm achieves competitive accuracy on a wide range of tasks including natural language understanding, machine translation, and image classification. Unlike previous 4-bit training methods, our algorithm can be implemented on the current generation of GPUs. Our prototypical linear operator implementation is up to 2.2 times faster than the FP16 counterparts and speeds up the training by 17.8\% on average for sufficiently large models. Our code is available at https://github.com/xijiu9/Train\_Transformers\_with\_INT4.

In an effort to further advance semi-supervised generative and classification tasks, we propose a simple yet effective training strategy called *dual pseudo training* (DPT), built upon strong semi-supervised learners and diffusion models. DPT operates in three stages: training a classifier on partially labeled data to predict pseudo-labels; training a conditional generative model using these pseudo-labels to generate pseudo images; and retraining the classifier with a mix of real and pseudo images. Empirically, DPT consistently achieves SOTA performance of semi-supervised generation and classification across various settings. In particular, with one or two labels per class, DPT achieves a Fréchet Inception Distance (FID) score of 3.08 or 2.52 on ImageNet $256\times256$. Besides, DPT outperforms competitive semi-supervised baselines substantially on ImageNet classification tasks, *achieving top-1 accuracies of 59.0 (+2.8), 69.5 (+3.0), and 74.4 (+2.0)* with one, two, or five labels per class, respectively. Notably, our results demonstrate that diffusion can generate realistic images with only a few labels (e.g., $<0.1$%) and generative augmentation remains viable for semi-supervised classification. Our code is available at *https://github.com/ML-GSAI/DPT*.

Diffusion probabilistic models (DPMs) have exhibited excellent performance for high-fidelity image generation while suffering from inefficient sampling. Recent works accelerate the sampling procedure by proposing fast ODE solvers that leverage the specific ODE form of DPMs. However, they highly rely on specific parameterization during inference (such as noise/data prediction), which might not be the optimal choice. In this work, we propose a novel formulation towards the optimal parameterization during sampling that minimizes the first-order discretization error of the ODE solution. Based on such formulation, we propose \textit{DPM-Solver-v3}, a new fast ODE solver for DPMs by introducing several coefficients efficiently computed on the pretrained model, which we call \textit{empirical model statistics}. We further incorporate multistep methods and a predictor-corrector framework, and propose some techniques for improving sample quality at small numbers of function evaluations (NFE) or large guidance scales. Experiments show that DPM-Solver-v3 achieves consistently better or comparable performance in both unconditional and conditional sampling with both pixel-space and latent-space DPMs, especially in 5$\sim$10 NFEs. We achieve FIDs of 12.21 (5 NFE), 2.51 (10 NFE) on unconditional CIFAR10, and MSE of 0.55 (5 NFE, 7.5 guidance scale) on Stable Diffusion, bringing a speed-up of 15\%$\sim$30\% compared to previous state-of-the-art training-free methods. Code is available at \url{https://github.com/thu-ml/DPM-Solver-v3}.

Consider the problem of out-of-distribution prediction given data from multiple environments. While a sufficiently diverse collection of training environments will facilitate the identification of an invariant predictor, with an optimal generalization performance, many applications only provide us with a limited number of environments. It is thus necessary to consider adapting to distribution shift using a handful of labeled test samples. We propose a constrained Bayesian approach for this task, which restricts to models with a worst-group training loss above a prespecified threshold. Our method avoids a pathology of the standard Bayesian posterior, which occurs when spurious correlations improve in-distribution prediction. We also show that on certain high-dimensional linear problems, constrained modeling improves the sample efficiency of adaptation. Synthetic and real-world experiments demonstrate the robust performance of our approach.

In high-stake scenarios like medical treatment and auto-piloting, it's risky or even infeasible to collect online experimental data to train the agent. Simulation-based training can alleviate this issue, but may suffer from its inherent mismatches from the simulator and real environment. It is therefore imperative to utilize the simulator to learn a robust policy for the real-world deployment. In this work, we consider policy learning for Robust Markov Decision Processes (RMDP), where the agent tries to seek a robust policy with respect to unexpected perturbations on the environments. Specifically, we focus on the setting where the training environment can be characterized as a generative model and a constrained perturbation can be added to the model during testing. Our goal is to identify a near-optimal robust policy for the perturbed testing environment, which introduces additional technical difficulties as we need to simultaneously estimate the training environment uncertainty from samples and find the worst-case perturbation for testing. To solve this issue, we propose a generic method which formalizes the perturbation as an opponent to obtain a two-player zero-sum game, and further show that the Nash Equilibrium corresponds to the robust policy. We prove that, with a polynomial number of samples from the generative model, our algorithm can find a near-optimal robust policy with a high probability. Our method is able to deal with general perturbations under some mild assumptions and can also be extended to more complex problems like robust partial observable Markov decision process, thanks to the game-theoretical formulation.

Recent algorithms designed for multi-agent tasks focus on finding a single optimal solution for all the agents. However, in many tasks (e.g., matrix games and transportation dispatching), there may exist more than one optimal solution, while previous algorithms can only converge to one of them. In many practical applications, it is important to develop reasonable agents with diverse behaviors. In this paper, we propose ”variational multi-agent policy diversification” (VMAPD), an on-policy framework for discovering diverse policies for coordination patterns of multiple agents. By taking advantage of latent variables and exploiting the connection between variational inference and multi-agent reinforcement learning, we derive a tractable evidence lower bound (ELBO) on the trajectories of all agents. Our algorithm uses policy iteration to maximize the derived lower bound and can be simply implemented by adding a pseudo reward during centralized learning. And the trained agents do not need to access the pseudo reward during decentralized execution. We demonstrate the effectiveness of our algorithm on several popular multi-agent testbeds. Experimental results show that VMAPD finds more solutions with similar sample complexity compared with other baselines.

Deep learning has achieved tremendous success with independent and identically distributed (i. i.d.) data. However, the performance of neural networks often degenerates drastically when encountering out-of-distribution (OoD) data, i.e., when training and test data are sampled from different distributions. While a plethora of algorithms have been proposed for OoD generalization, our understanding of the data used to train and evaluate these algorithms remains stagnant. In this work, we first identify and measure two distinct kinds of distribution shifts that are ubiquitous in various datasets. Next, through extensive experiments, we compare OoD generalization algorithms across two groups of benchmarks, each dominated by one of the distribution shifts, revealing their strengths on one shift as well as limitations on the other shift. Overall, we position existing datasets and algorithms from different research areas seemingly unconnected into the same coherent picture. It may serve as a foothold that can be resorted to by future OoD generalization research. Our code is available at https://github.com/ynysjtulood_bench.

Person re-identification is a hot topic in computer vision, and the loss function plays a vital role in improving the discrimination of the learned features. However, most existing models utilize the hand-crafted loss functions, which are usually sub-optimal and challenging to be designed. In this paper, we propose a novel method, AutoLoss-GMS, to search the better loss function in the space of generalized margin-based softmax loss function for person reidentification automatically. Specifically, the generalized margin-based softmax loss function is first decomposed into two computational graphs and a constant. Then a general searching framework built upon the evolutionary algorithm is proposed to search for the loss function efficiently. The computational graph is constructed with a forward method, which can construct much richer loss function forms than the backward method used in existing works. In addition to the basic in-graph mutation operations, the cross-graph mutation operation is designed to further improve the offspring's diversity. The loss-rejection protocol, equivalence-check strategy and the predictor-based promising-loss chooser are developed to improve the search efficiency. Finally, experimental results demonstrate that the searched loss functions can achieve state-of-the-art performance and be transferable across different models and datasets in person re-identification.

Correctly classifying adversarial examples is an essential but challenging requirement for safely deploying machine learning models. As reported in RobustBench, even the state-of-the-art adversarially trained models struggle to exceed 67% robust test accuracy on CIFAR-10, which is far from practical. A complementary way towards robustness is to introduce a rejection option, allowing the model to not return predictions on uncertain inputs, where confidence is a commonly used certainty proxy. Along with this routine, we find that confidence and a rectified confidence (R-Con) can form two coupled rejection metrics, which could provably distinguish wrongly classified inputs from correctly classified ones. This intriguing property sheds light on using coupling strategies to better detect and reject adversarial examples. We evaluate our rectified rejection (RR) module on CIFAR-10, CIFAR-10-C, and CIFAR-100 under several attacks including adaptive ones, and demonstrate that the RR module is compatible with different adversarial training frameworks on improving robustness, with little extra computation.

Diffusion probabilistic models (DPMs) are a class of powerful deep generative models (DGMs). Despite their success, the iterative generation process over the full timesteps is much less efficient than other DGMs such as GANs. Thus, the generation performance on a subset of timesteps is crucial, which is greatly influenced by the covariance design in DPMs. In this work, we consider diagonal and full covariances to improve the expressive power of DPMs. We derive the optimal result for such covariances, and then correct it when the mean of DPMs is imperfect. Both the optimal and the corrected ones can be decomposed into terms of conditional expectations over functions of noise. Building upon it, we propose to estimate the optimal covariance and its correction given imperfect mean by learning these conditional expectations. Our method can be applied to DPMs with both discrete and continuous timesteps. We consider the diagonal covariance in our implementation for computational efficiency. For an efficient practical implementation, we adopt a parameter sharing scheme and a two-stage training process. Empirically, our method outperforms a wide variety of covariance design on likelihood results, and improves the sample quality especially on a small number of timesteps.

Learning the principal eigenfunctions of an integral operator defined by a kernel and a data distribution is at the core of many machine learning problems. Traditional nonparametric solutions based on the Nystrom formula suffer from scalability issues. Recent work has resorted to a parametric approach, i.e., training neural networks to approximate the eigenfunctions. However, the existing method relies on an expensive orthogonalization step and is difficult to implement. We show that these problems can be fixed by using a new series of objective functions that generalizes the EigenGame to function space. We test our method on a variety of supervised and unsupervised learning problems and show it provides accurate approximations to the eigenfunctions of polynomial, radial basis, neural network Gaussian process, and neural tangent kernels. Finally, we demonstrate our method can scale up linearised Laplace approximation of deep neural networks to modern image classification datasets through approximating the Gauss-Newton matrix. Code is available at https://github.com/thudzj/neuraleigenfunction.

Certified defenses such as randomized smoothing have shown promise towards building reliable machine learning systems against $\ell_p$ norm bounded attacks. However, existing methods are insufficient or unable to provably defend against semantic transformations, especially those without closed-form expressions (such as defocus blur and pixelate), which are more common in practice and often unrestricted. To fill up this gap, we propose generalized randomized smoothing (GSmooth), a unified theoretical framework for certifying robustness against general semantic transformations via a novel dimension augmentation strategy. Under the GSmooth framework, we present a scalable algorithm that uses a surrogate image-to-image network to approximate the complex transformation. The surrogate model provides a powerful tool for studying the properties of semantic transformations and certifying robustness. Experimental results on several datasets demonstrate the effectiveness of our approach for robustness certification against multiple kinds of semantic transformations and corruptions, which is not achievable by the alternative baselines.

Score-based generative models have excellent performance in terms of generation quality and likelihood. They model the data distribution by matching a parameterized score network with first-order data score functions. The score network can be used to define an ODE (“score-based diffusion ODE”) for exact likelihood evaluation. However, the relationship between the likelihood of the ODE and the score matching objective is unclear. In this work, we prove that matching the first-order score is not sufficient to maximize the likelihood of the ODE, by showing a gap between the maximum likelihood and score matching objectives. To fill up this gap, we show that the negative likelihood of the ODE can be bounded by controlling the first, second, and third-order score matching errors; and we further present a novel high-order denoising score matching method to enable maximum likelihood training of score-based diffusion ODEs. Our algorithm guarantees that the higher-order matching error is bounded by the training error and the lower-order errors. We empirically observe that by high-order score matching, score-based diffusion ODEs achieve better likelihood on both synthetic data and CIFAR-10, while retaining the high generation quality.

The trade-off between robustness and accuracy has been widely studied in the adversarial literature. Although still controversial, the prevailing view is that this trade-off is inherent, either empirically or theoretically. Thus, we dig for the origin of this trade-off in adversarial training and find that it may stem from the improperly defined robust error, which imposes an inductive bias of local invariance — an overcorrection towards smoothness. Given this, we advocate employing local equivariance to describe the ideal behavior of a robust model, leading to a self-consistent robust error named SCORE. By definition, SCORE facilitates the reconciliation between robustness and accuracy, while still handling the worst-case uncertainty via robust optimization. By simply substituting KL divergence with variants of distance metrics, SCORE can be efficiently minimized. Empirically, our models achieve top-rank performance on RobustBench under AutoAttack. Besides, SCORE provides instructive insights for explaining the overfitting phenomenon and semantic input gradients observed on robust models.

By applying entropy codecs with learned data distributions, neural compressors have significantly outperformed traditional codecs in terms of compression ratio. However, the high inference latency of neural networks hinders the deployment of neural compressors in practical applications. In this work, we propose Integer-only Discrete Flows (IODF) an efficient neural compressor with integer-only arithmetic. Our work is built upon integer discrete flows, which consists of invertible transformations between discrete random variables. We propose efficient invertible transformations with integer-only arithmetic based on 8-bit quantization. Our invertible transformation is equipped with learnable binary gates to remove redundant filters during inference. We deploy IODF with TensorRT on GPUs, achieving $10\times$ inference speedup compared to the fastest existing neural compressors, while retaining the high compression rates on ImageNet32 and ImageNet64.

While deep neural networks have achieved great success in graph analysis, recent work has shown that they are vulnerable to adversarial attacks. Compared with adversarial attacks on image classification, performing adversarial attacks on graphs is more challenging because of the discrete and non-differential nature of the adjacent matrix for a graph. In this work, we propose Cluster Attack --- a Graph Injection Attack (GIA) on node classification, which injects fake nodes into the original graph to degenerate the performance of graph neural networks (GNNs) on certain victim nodes while affecting the other nodes as little as possible. We demonstrate that a GIA problem can be equivalently formulated as a graph clustering problem; thus, the discrete optimization problem of the adjacency matrix can be solved in the context of graph clustering. In particular, we propose to measure the similarity between victim nodes by a metric of Adversarial Vulnerability, which is related to how the victim nodes will be affected by the injected fake node, and to cluster the victim nodes accordingly. Our attack is performed in a practical and unnoticeable query-based black-box manner with only a few nodes on the graphs that can be accessed. Theoretical analysis and extensive experiments demonstrate the effectiveness of our method by fooling the node classifiers with only a small number of queries.

Though deep reinforcement learning (DRL) has obtained substantial success, it may encounter catastrophic failures due to the intrinsic uncertainty of both transition and observation. Most of the existing methods for safe reinforcement learning can only handle transition disturbance or observation disturbance since these two kinds of disturbance affect different parts of the agent; besides, the popular worst-case return may lead to overly pessimistic policies. To address these issues, we first theoretically prove that the performance degradation under transition disturbance and observation disturbance depends on a novel metric of Value Function Range (VFR), which corresponds to the gap in the value function between the best state and the worst state. Based on the analysis, we adopt conditional value-at-risk (CVaR) as an assessment of risk and propose a novel reinforcement learning algorithm of CVaR-Proximal-Policy-Optimization (CPPO) which formalizes the risk-sensitive constrained optimization problem by keeping its CVaR under a given threshold. Experimental results show that CPPO achieves a higher cumulative reward and is more robust against both observation and transition disturbances on a series of continuous control tasks in MuJoCo.

Few-shot classification refers to recognizing several novel classes given only a few labeled samples. Many recent methods try to gain an adaptation benefit by learning prior knowledge from more base training domains, aka. multi-domain few-shot classification. However, with extensive empirical evidence, we find more is not always better: current models do not necessarily benefit from pre-training on more base classes and domains, since the pre-trained knowledge might be non-positive for a downstream task. In this work, we hypothesize that such redundant pre-training can be avoided without compromising the downstream performance. Inspired by the selective activating/silencing mechanism in the biological memory system, which enables the brain to learn a new concept from a few experiences both quickly and accurately, we propose to actively silence those redundant base classes and domains for efficient multi-domain few-shot classification. Then, a novel data-driven approach named Active Silencing with hierarchical Subset Selection (AS3) is developed to address two problems: 1) finding a subset of base classes that adequately represent novel classes for efficient positive transfer; and 2) finding a subset of base learners (i.e., domains) with confident accurate prediction in a new domain. Both problems are formulated as distance-based sparse subset selection. We extensively evaluate AS3 on the recent META-DATASET benchmark as well as MNIST, CIFAR10, and CIFAR100, where AS3 achieves over 100% acceleration while maintaining or even improving accuracy. Our code and Appendix are available at https://github.com/indussky8/AS3.

Score-based diffusion models (SBDMs) have achieved the SOTA FID results in unpaired image-to-image translation (I2I). However, we notice that existing methods totally ignore the training data in the source domain, leading to sub-optimal solutions for unpaired I2I. To this end, we propose energy-guided stochastic differential equations (EGSDE) that employs an energy function pretrained on both the source and target domains to guide the inference process of a pretrained SDE for realistic and faithful unpaired I2I. Building upon two feature extractors, we carefully design the energy function such that it encourages the transferred image to preserve the domain-independent features and discard domain-specific ones. Further, we provide an alternative explanation of the EGSDE as a product of experts, where each of the three experts (corresponding to the SDE and two feature extractors) solely contributes to faithfulness or realism. Empirically, we compare EGSDE to a large family of baselines on three widely-adopted unpaired I2I tasks under four metrics. EGSDE not only consistently outperforms existing SBDMs-based methods in almost all settings but also achieves the SOTA realism results without harming the faithful performance. Furthermore, EGSDE allows for flexible trade-offs between realism and faithfulness and we improve the realism results further (e.g., FID of 51.04 in Cat $\to$ Dog and FID of 50.43 in Wild $\to$ Dog on AFHQ) by tuning hyper-parameters. The code is available at https://github.com/ML-GSAI/EGSDE.

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works. By applying change-of-variable, the solution can be equivalently simplified to an exponentially weighted integral of the neural network. Based on our formulation, we propose DPM-Solver, a fast dedicated high-order solver for diffusion ODEs with the convergence order guarantee. DPM-Solver is suitable for both discrete-time and continuous-time DPMs without any further training. Experimental results show that DPM-Solver can generate high-quality samples in only 10 to 20 function evaluations on various datasets. We achieve 4.70 FID in 10 function evaluations and 2.87 FID in 20 function evaluations on the CIFAR10 dataset, and a 4~16x speedup compared with previous state-of-the-art training-free samplers on various datasets.

Deep neural networks (DNNs) have achieved remarkable success in a variety of computer vision tasks, where massive labeled images are routinely required for model optimization. Yet, the data collected from the open world are unavoidably polluted by noise, which may significantly undermine the efficacy of the learned models. Various attempts have been made to reliably train DNNs under data noise, but they separately account for either the noise existing in the labels or that existing in the images. A naive combination of the two lines of works would suffer from the limitations in both sides, and miss the opportunities to handle the two kinds of noise in parallel. This works provides a first, unified framework for reliable learning under the joint (image, label)-noise. Technically, we develop a confidence-based sample filter to progressively filter out noisy data without the need of pre-specifying noise ratio. Then, we penalize the model uncertainty of the detected noisy data instead of letting the model continue over-fitting the misleading information in them. Experimental results on various challenging synthetic and real-world noisy datasets verify that the proposed method can outperform competing baselines in the aspect of classification performance.

Laplace approximation (LA) and its linearized variant (LLA) enable effortless adaptation of pretrained deep neural networks to Bayesian neural networks. The generalized Gauss-Newton (GGN) approximation is typically introduced to improve their tractability. However, LA and LLA are still confronted with non-trivial inefficiency issues and should rely on Kronecker-factored, diagonal, or even last-layer approximate GGN matrices in practical use. These approximations are likely to harm the fidelity of learning outcomes. To tackle this issue, inspired by the connections between LLA and neural target kernels (NTKs), we develop a Nystrom approximation to NTKs to accelerate LLA. Our method benefits from the capability of popular deep learning libraries for forward mode automatic differentiation, and enjoys reassuring theoretical guarantees. Extensive studies reflect the merits of the proposed method in aspects of both scalability and performance. Our method can even scale up to architectures like vision transformers. We also offer valuable ablation studies to diagnose our method. Code is available at https://github.com/thudzj/ELLA.

Recent studies have demonstrated that visual recognition models lack robustness to distribution shift. However, current work mainly considers model robustness to 2D image transformations, leaving viewpoint changes in the 3D world less explored. In general, viewpoint changes are prevalent in various real-world applications (e.g., autonomous driving), making it imperative to evaluate viewpoint robustness. In this paper, we propose a novel method called ViewFool to find adversarial viewpoints that mislead visual recognition models. By encoding real-world objects as neural radiance fields (NeRF), ViewFool characterizes a distribution of diverse adversarial viewpoints under an entropic regularizer, which helps to handle the fluctuations of the real camera pose and mitigate the reality gap between the real objects and their neural representations. Experiments validate that the common image classifiers are extremely vulnerable to the generated adversarial viewpoints, which also exhibit high cross-model transferability. Based on ViewFool, we introduce ImageNet-V, a new out-of-distribution dataset for benchmarking viewpoint robustness of image classifiers. Evaluation results on 40 classifiers with diverse architectures, objective functions, and data augmentations reveal a significant drop in model performance when tested on ImageNet-V, which provides a possibility to leverage ViewFool as an effective data augmentation strategy to improve viewpoint robustness.

We present a unified hard-constraint framework for solving geometrically complex PDEs with neural networks, where the most commonly used Dirichlet, Neumann, and Robin boundary conditions (BCs) are considered. Specifically, we first introduce the "extra fields'' from the mixed finite element method to reformulate the PDEs so as to equivalently transform the three types of BCs into linear forms. Based on the reformulation, we derive the general solutions of the BCs analytically, which are employed to construct an ansatz that automatically satisfies the BCs. With such a framework, we can train the neural networks without adding extra loss terms and thus efficiently handle geometrically complex PDEs, alleviating the unbalanced competition between the loss terms corresponding to the BCs and PDEs. We theoretically demonstrate that the "extra fields'' can stabilize the training process. Experimental results on real-world geometrically complex PDEs showcase the effectiveness of our method compared with state-of-the-art baselines.

Recently, several attempts have demonstrated that 3D deep learning models are as vulnerable to adversarial example attacks as 2D models. However, these methods are still far from stealthy and suffer from severe performance degradation in the physical world. Although 3D data is highly structured, it is difficult to bound the perturbations with simple metrics in the Euclidean space. In this paper, we propose a novel $\epsilon$-isometric ($\epsilon$-ISO) attack method to generate natural and robust 3D adversarial examples in the physical world by considering the geometric properties of 3D objects and the invariance to physical transformations. For naturalness, we constrain the adversarial example and the original one to be $\epsilon$-isometric by adopting the Gaussian curvature as the surrogate metric under a theoretical analysis. For robustness under physical transformations, we propose a maxima over transformation (MaxOT) method to actively search for the most difficult transformations rather than random ones to make the generated adversarial example more robust in the physical world. Extensive experiments on typical point cloud recognition models validate that our approach can improve the attack success rate and naturalness of the generated 3D adversarial examples than the state-of-the-art attack methods.

We investigate nonlinear instrumental variable (IV) regression given high-dimensional instruments. We propose a simple algorithm which combines kernelized IV methods and an arbitrary, adaptive regression algorithm, accessed as a black box. Our algorithm enjoys faster-rate convergence and adapts to the dimensionality of informative latent features, while avoiding an expensive minimax optimization procedure, which has been necessary to establish similar guarantees. It further brings the benefit of flexible machine learning models to quasi-Bayesian uncertainty quantification, likelihood-based model selection, and model averaging. Simulation studies demonstrate the competitive performance of our method.

In this paper, we present Tianshou, a highly modularized Python library for deep reinforcement learning (DRL) that uses PyTorch as its backend. Tianshou intends to be research-friendly by providing a flexible and reliable infrastructure of DRL algorithms. It supports online and offline training with more than 20 classic algorithms through a unified interface. To facilitate related research and prove Tianshou's reliability, we have released Tianshou's benchmark of MuJoCo environments, covering eight classic algorithms with state-of-the-art performance. We open-sourced Tianshou at https://github.com/thu-ml/tianshou/.

Hawkes process provides an effective statistical framework for analyzing the interactions of neural spiking activities. Although utilized in many real applications, the classic Hawkes process is incapable of modeling inhibitory interactions among neural population. Instead, the nonlinear Hawkes process allows for modeling a more flexible influence pattern with excitatory or inhibitory interactions. This work proposes a flexible nonlinear Hawkes process variant based on sigmoid nonlinearity. To ease inference, three sets of auxiliary latent variables (Polya-Gamma variables, latent marked Poisson processes and sparsity variables) are augmented to make functional connection weights appear in a Gaussian form, which enables simple iterative algorithms with analytical updates. As a result, the efficient Gibbs sampler, expectation-maximization algorithm and mean-field approximation are derived to estimate the interactions among neural populations. Furthermore, to reconcile with time-varying neural systems, the proposed time-invariant model is extended to a dynamic version by introducing a Markov state process. Similarly, three analytical iterative inference algorithms: Gibbs sampler, EM algorithm and mean-field approximation are derived. We compare the accuracy and efficiency of these inference algorithms on synthetic data, and further experiment on real neural recordings to demonstrate that the developed models achieve superior performance over the state-of-the-art competitors.

Adversarial attacks have been extensively studied in recent years since they can identify the vulnerability of deep learning models before deployed. In this paper, we consider the black-box adversarial setting, where the adversary needs to craft adversarial examples without access to the gradients of a target model. Previous methods attempted to approximate the true gradient either by using the transfer gradient of a surrogate white-box model or based on the feedback of model queries. However, the existing methods inevitably suffer from low attack success rates or poor query efficiency since it is difficult to estimate the gradient in a high-dimensional input space with limited information. To address these problems and improve black-box attacks, we propose two prior-guided random gradient-free (PRGF) algorithms based on biased sampling and gradient averaging, respectively. Our methods can take the advantage of a transfer-based prior given by the gradient of a surrogate model and the query information simultaneously. Through theoretical analyses, the transfer-based prior is appropriately integrated with model queries by an optimal coefficient in each method. Extensive experiments demonstrate that, in comparison with the alternative state-of-the-arts, both of our methods require much fewer queries to attack black-box models with higher success rates.

We propose a unified game-theoretical framework to perform classification and conditional image generation given limited supervision. It is formulated as a three-player minimax game consisting of a generator, a classifier and a discriminator, and therefore is referred to as Triple Generative Adversarial Network (Triple-GAN). The generator and the classifier characterize the conditional distributions between images and labels to perform conditional generation and classification, respectively. The discriminator solely focuses on identifying fake image-label pairs. Theoretically, the three-player formulation guarantees consistency. Namely, under a nonparametric assumption, the unique equilibrium of the game is that the distributions characterized by the generator and the classifier converge to the data distribution. As a byproduct of the three-player formulation, Triple-GAN is flexible to incorporate different semi-supervised classifiers and GAN architectures. We evaluate Triple-GAN in two challenging settings, namely, semi-supervised learning and the extremely low data regime. In both settings, Triple-GAN can achieve excellent classification results and generate meaningful samples in a specific class simultaneously. In particular, using a commonly adopted 13-layer CNN classifier, Triple-GAN outperforms extensive semi-supervised learning methods substantially on several benchmarks no matter data augmentation is applied or not.

Continual acquisition of novel experience without interfering with previously learned knowledge, i.e., continual learning, is critical for artificial neural networks, while limited by catastrophic forgetting. A neural network adjusts its parameters when learning a new task but then fails to conduct the old tasks well. By contrast, the biological brain can effectively address catastrophic forgetting through consolidating memories as more specific or more generalized forms to complement each other, which is achieved in the interplay of the hippocampus and neocortex, mediated by the prefrontal cortex. Inspired by such a brain strategy, we propose a novel approach named triple-memory networks (TMNs) for continual learning. TMNs model the interplay of the three brain regions as a triple-network architecture of generative adversarial networks (GANs). The input information is encoded as specific representations of data distributions in a generator, or generalized knowledge of solving tasks in a discriminator and a classifier, with implementing appropriate brain-inspired algorithms to alleviate catastrophic forgetting in each module. Particularly, the generator replays generated data of the learned tasks to the discriminator and the classifier, both of which are implemented with a weight consolidation regularizer to complement the lost information in the generation process. TMNs achieve the state-of-the-art performance of generative memory replay on a variety of class-incremental learning benchmarks on MNIST, SVHN, CIFAR-10, and ImageNet-50.

The base learners and labeled samples (shots) in an ensemble few-shot classifier greatly affect the model performance. When the performance is not satisfactory, it is usually difficult to understand the underlying causes and make improvements. To tackle this issue, we propose a visual analysis method, FSLDiagnotor. Given a set of base learners and a collection of samples with a few shots, we consider two problems: 1) finding a subset of base learners that well predict the sample collections; and 2) replacing the low-quality shots with more representative ones to adequately represent the sample collections. We formulate both problems as sparse subset selection and develop two selection algorithms to recommend appropriate learners and shots, respectively. A matrix visualization and a scatterplot are combined to explain the recommended learners and shots in context and facilitate users in adjusting them. Based on the adjustment, the algorithm updates the recommendation results for another round of improvement. Two case studies are conducted to demonstrate that FSLDiagnotor helps build a few-shot classifier efficiently and increases the accuracy by 12% and 21%, respectively.

Reward shaping is one of the most effective methods to tackle the crucial yet challenging problem of credit assignment and accelerate Reinforcement Learning. However, designing shaping functions usually requires rich expert knowledge and hand-engineering, and the difficulties are further exacerbated given multiple tasks to solve. In this paper, we consider reward shaping on a distribution of tasks that share state spaces but not necessarily action spaces. We provide insights into optimal reward shaping, and propose a novel meta-learning framework to automatically learn such reward shaping to apply on newly sampled tasks. Theoretical analysis and extensive experiments establish us as the state-of-the-art in learning task-distribution reward shaping, outperforming previous such works (Konidaris and Barto 2006; Snel and Whiteson 2014). We further show that our method outperforms learning intrinsic rewards (Yang et al. 2019; Zheng et al. 2020), outperforms Rainbow (Hessel et al. 2018) in complex pixel-based CoinRun games, and is also better than hand-designed reward shaping on grids. While the goal of this paper is to learn reward shaping rather than to propose new general meta-learning algorithms as PEARL (Rakelly et al. 2019) or MQL (Fakoor et al. 2020), our framework based on MAML (Finn, Abbeel, and Levine 2017) also outperforms PEARL / MQL, and could combine with them for further improvement.

Cycle-consistent training is widely used for jointly learning a forward and inverse mapping between two domains of interest without the cumbersome requirement of collecting matched pairs within each domain. In this regard, the implicit assumption is that there exists (at least approximately) a ground-truth bijection such that a given input from either domain can be accurately reconstructed from successive application of the respective mappings. But in many applications no such bijection can be expected to exist and large reconstruction errors can compromise the success of cycle-consistent training. As one important instance of this limitation, we consider practically-relevant situations where there exists a many-to-one or surjective mapping between domains. To address this regime, we develop a conditional variational autoencoder (CVAE) approach that can be viewed as converting surjective mappings to implicit bijections whereby reconstruction errors in both directions can be minimized, and as a natural byproduct, realistic output diversity can be obtained in the one-to-many direction. As theoretical motivation, we analyze a simplified scenario whereby minima of the proposed CVAE-based energy function align with the recovery of ground-truth surjective mappings. On the empirical side, we consider a synthetic image dataset with known ground-truth, as well as a real-world application involving natural language generation from knowledge graphs and vice versa, a prototypical surjective case. For the latter, our CVAE pipeline can capture such many-to-one mappings during cycle training while promoting textural diversity for graph-to-text tasks.

For reliability, machine learning models in some areas, e.g., finance and healthcare, require to be both accurate and globally interpretable. Among them, credit risk assessment is a major application of machine learning for financial institutions to evaluate credit of users and detect default or fraud. Simple white-box models, such as Logistic Regression (LR), are usually used for credit risk assessment, but not powerful enough to model complex nonlinear interactions among features. In contrast, complex black-box models are powerful at modeling, but lack of interpretability, especially global interpretability. Fortunately, automatic feature crossing is a promising way to find cross features to make simple classifiers to be more accurate without heavy handcrafted feature engineering. However, existing automatic feature crossing methods have problems in efficiency on credit risk assessment, for corresponding data usually contains hundreds of feature fields.

Despite their appealing flexibility, deep neural networks (DNNs) are vulnerable against adversarial examples. Various adversarial defense strategies have been proposed to resolve this problem, but they typically demonstrate restricted practicability owing to unsurmountable compromise on universality, effectiveness, or efficiency. In this work, we propose a more practical approach, Lightweight Bayesian Refinement (LiBRe), in the spirit of leveraging Bayesian neural networks (BNNs) for adversarial detection. Empowered by the task and attack agnostic modeling under Bayes principle, LiBRe can endow a variety of pre-trained task-dependent DNNs with the ability of defending heterogeneous adversarial attacks at a low cost. We develop and integrate advanced learning techniques to make LiBRe appropriate for adversarial detection. Concretely, we build the few-layer deep ensemble variational and adopt the pre-training & fine-tuning workflow to boost the effectiveness and efficiency of LiBRe. We further provide a novel insight to realise adversarial detection-oriented uncertainty quantification without inefficiently crafting adversarial examples during training. Extensive empirical studies covering a wide range of scenarios verify the practicability of LiBRe. We also conduct thorough ablation studies to evidence the superiority of our modeling and learning strategies.1

We study the problem, of unsupervised discovery and segmentation of object parts, which, as an intermediate local representation, are capable of finding intrinsic object structure and providing more explainable recognition results. Recent unsupervised methods have greatly relaxed the dependency on annotated data which are costly to obtain, but still rely on additional information such as object segmentation mask or saliency map. To remove such a dependency and further improve the part segmentation performance, we develop a novel approach by disentangling the appearance and shape representations of object parts followed with reconstruction losses without using additional object mask information. To avoid degenerated solutions, a bottleneck block is designed to squeeze and expand the appearance representation, leading to a more effective disentanglement between geometry and appearance. Combined with a self-supervised part classification loss and an improved geometry concentration constraint, we can segment more consistent parts with semantic meanings. Comprehensive experiments on a wide variety of objects such as face, bird, and PASCAL VOC objects demonstrate the effectiveness of the proposed method.

Continual learning usually assumes the incoming data are fully labeled, which might not be applicable in real applications. In this work, we consider semi-supervised continual learning (SSCL) that incrementally learns from partially labeled data. Observing that existing continual learning methods lack the ability to continually exploit the unlabeled data, we propose deep Online Replay with Discriminator Consistency (ORDisCo) to interdependently learn a classifier with a conditional generative adversarial network (GAN), which continually passes the learned data distribution to the classifier. In particular, ORDisCo replays data sampled from the conditional generator to the classifier in an online manner, exploiting unlabeled data in a time- and storage-efficient way. Further, to explicitly overcome the catastrophic forgetting of unlabeled data, we selectively stabilize parameters of the discriminator that are important for discriminating the pairs of old unlabeled data and their pseudo-labels predicted by the classifier. We extensively evaluate ORDisCo on various semi-supervised learning benchmark datasets for SSCL, and show that ORDisCo achieves significant performance improvement on SVHN, CIFAR10 and Tiny-ImageNet, compared to strong baselines.

Face recognition is greatly improved by deep convolutional neural networks (CNNs). Recently, these face recognition models have been used for identity authentication in security sensitive applications. However, deep CNNs are vulnerable to adversarial patches, which are physically realizable and stealthy, raising new security concerns on the real-world applications of these models. In this paper, we evaluate the robustness of face recognition models using adversarial patches based on transferability, where the attacker has limited accessibility to the target models. First, we extend the existing transfer-based attack techniques to generate transferable adversarial patches. However, we observe that the transferability is sensitive to initialization and degrades when the perturbation magnitude is large, indicating the overfitting to the substitute models. Second, we propose to regularize the adversarial patches on the low dimensional data manifold. The manifold is represented by generative models pre-trained on legitimate human face images. Using face-like features as adversarial perturbations through optimization on the manifold, we show that the gaps between the responses of substitute models and the target models dramatically decrease, exhibiting a better transferability. Extensive digital world experiments are conducted to demonstrate the superiority of the proposed method in the black-box setting. We apply the proposed method in the physical world as well.

Although deep neural networks (DNNs) have made rapid progress in recent years, they are vulnerable in adversarial environments. A malicious backdoor could be embedded in a model by poisoning the training dataset, whose intention is to make the infected model give wrong predictions during inference when the specific trigger appears. To mitigate the potential threats of backdoor attacks, various backdoor detection and defense methods have been proposed. However, the existing techniques usually require the poisoned training data or access to the white-box model, which is commonly unavailable in practice. In this paper, we propose a black-box backdoor detection (B3D) method to identify backdoor attacks with only query access to the model. We introduce a gradient-free optimization algorithm to reverse-engineer the potential trigger for each class, which helps to reveal the existence of backdoor attacks. In addition to backdoor detection, we also propose a simple strategy for reliable predictions using the identified backdoored models. Extensive experiments on hundreds of DNN models trained on several datasets corroborate the effectiveness of our method under the black-box setting against various backdoor attacks.

As billions of personal data being shared through social media and network, the data privacy and security have drawn an increasing attention. Several attempts have been made to alleviate the leakage of identity information from face photos, with the aid of, e.g., image obfuscation techniques. However, most of the present results are either perceptually unsatisfactory or ineffective against face recognition systems. Our goal in this paper is to develop a technique that can encrypt the personal photos such that they can protect users from unauthorized face recognition systems but remain visually identical to the original version for human beings. To achieve this, we propose a targeted identity-protection iterative method (TIP-IM) to generate adversarial identity masks which can be overlaid on facial images, such that the original identities can be concealed without sacrificing the visual quality. Extensive experiments demonstrate that TIP-IM provides 95%+ protection success rate against various state-of-the-art face recognition models under practical test scenarios. Besides, we also show the practical and effective applicability of our method on a commercial API service.

This paper presents new estimates of the score function and its gradient with respect to the model parameters in a general energy-based latent variable model (EBLVM). The score function and its gradient can be expressed as combinations of expectation and covariance terms over the (generally intractable) posterior of the latent variables. New estimates are obtained by introducing a variational posterior to approximate the true posterior in these terms. The variational posterior is trained to minimize a certain divergence (e.g., the KL divergence) between itself and the true posterior. Theoretically, the divergence characterizes upper bounds of the bias of the estimates. In principle, our estimates can be applied to a wide range of objectives, including kernelized Stein discrepancy (KSD), score matching (SM)-based methods and exact Fisher divergence with a minimal model assumption. In particular, these estimates applied to SM-based methods outperform existing methods in learning EBLVMs on several image datasets.

AlphaZero has achieved superhuman performance on various perfect-information games, such as chess, shogi and Go. However, directly applying AlphaZero to imperfect-information games (IIG) is infeasible, due to the fact that traditional MCTS methods cannot handle missing information of other players. Meanwhile, there have been several extensions of MCTS for IIGs, by implicitly or explicitly sampling a state of other players. But, due to the inability to handle private and public information well, the performance of these methods is not satisfactory. In this paper, we extend AlphaZero to multiplayer IIGs by developing a new MCTS method, Action-Prediction MCTS (AP-MCTS). In contrast to traditional MCTS extensions for IIGs, AP-MCTS first builds the search tree based on public information, adopts the policy-value network to generalize between hidden states, and finally predicts other players' actions directly. This design bypasses the inefficiency of sampling and the difficulty of predicting the state of other players. We conduct extensive experiments on the popular 3-player poker game DouDiZhu to evaluate the performance of AP-MCTS combined with the framework AlphaZero. When playing against experienced human players, AP-MCTS achieved a 65.65\% winning rate, which is almost twice the human's winning rate. When comparing with state-of-the-art DouDiZhu AIs, the Elo rating of AP-MCTS is 50 to 200 higher than them. The ablation study shows that accurate action prediction is the key to AP-MCTS winning.

The (gradient-based) bilevel programming framework is widely used in hyperparameter optimization and has achieved excellent performance empirically. Previous theoretical work mainly focuses on its optimization properties, while leaving the analysis on generalization largely open. This paper attempts to address the issue by presenting an expectation bound w.r.t. the validation set based on uniform stability. Our results can explain some mysterious behaviours of the bilevel programming in practice, for instance, overfitting to the validation set. We also present an expectation bound for the classical cross-validation algorithm. Our results suggest that gradient-based algorithms can be better than cross-validation under certain conditions in a theoretical perspective. Furthermore, we prove that regularization terms in both the outer and inner levels can relieve the overfitting problem in gradient-based algorithms. In experiments on feature learning and data reweighting for noisy labels, we corroborate our theoretical findings.

Zeroth-order (ZO) optimization is widely used to handle challenging tasks, such as query-based black-box adversarial attacks and reinforcement learning. Various attempts have been made to integrate prior information into the gradient estimation procedure based on finite differences, with promising empirical results. However, their convergence properties are not well understood. This paper makes an attempt to fill up this gap by analyzing the convergence of prior-guided ZO algorithms under a greedy descent framework with various gradient estimators. We provide a convergence guarantee for the prior-guided random gradient-free (PRGF) algorithms. Moreover, to further accelerate over greedy descent methods, we present a new accelerated random search (ARS) algorithm that incorporates prior information, together with a convergence analysis. Finally, our theoretical results are confirmed by experiments on several numerical benchmarks as well as adversarial attacks.

Collecting training data from untrusted sources exposes machine learning services to poisoning adversaries, who maliciously manipulate training data to degrade the model accuracy. When trained on offline datasets, poisoning adversaries have to inject the poisoned data in advance before training, and the order of feeding these poisoned batches into the model is stochastic. In contrast, practical systems are more usually trained/fine-tuned on sequentially captured real-time data, in which case poisoning adversaries could dynamically poison each data batch according to the current model state. In this paper, we focus on the real-time settings and propose a new attacking strategy, which affiliates an accumulative phase with poisoning attacks to secretly (i.e., without affecting accuracy) magnify the destructive effect of a (poisoned) trigger batch. By mimicking online learning and federated learning on MNIST and CIFAR-10, we show that model accuracy significantly drops by a single update step on the trigger batch after the accumulative phase. Our work validates that a well-designed but straightforward attacking strategy can dramatically amplify the poisoning effects, with no need to explore complex techniques.

Continual learning aims to learn a sequence of tasks from dynamic data distributions. Without accessing to the old training samples, knowledge transfer from the old tasks to each new task is difficult to determine, which might be either positive or negative. If the old knowledge interferes with the learning of a new task, i.e., the forward knowledge transfer is negative, then precisely remembering the old tasks will further aggravate the interference, thus decreasing the performance of continual learning. By contrast, biological neural networks can actively forget the old knowledge that conflicts with the learning of a new experience, through regulating the learning-triggered synaptic expansion and synaptic convergence. Inspired by the biological active forgetting, we propose to actively forget the old knowledge that limits the learning of new tasks to benefit continual learning. Under the framework of Bayesian continual learning, we develop a novel approach named Active Forgetting with synaptic Expansion-Convergence (AFEC). Our method dynamically expands parameters to learn each new task and then selectively combines them, which is formally consistent with the underlying mechanism of biological active forgetting. We extensively evaluate AFEC on a variety of continual learning benchmarks, including CIFAR-10 regression tasks, visual classification tasks and Atari reinforcement tasks, where AFEC effectively improves the learning of new tasks and achieves the state-of-the-art performance in a plug-and-play way.

Recent years have witnessed an upsurge of interest in employing flexible machine learning models for instrumental variable (IV) regression, but the development of uncertainty quantification methodology is still lacking. In this work we present a scalable quasi-Bayesian procedure for IV regression, building upon the recently developed kernelized IV models. Contrary to Bayesian modeling for IV, our approach does not require additional assumptions on the data generating process, and leads to a scalable approximate inference algorithm with time cost comparable to the corresponding point estimation methods. Our algorithm can be further extended to work with neural network models. We analyze the theoretical properties of the proposed quasi-posterior, and demonstrate through empirical evaluation the competitive performance of our method.

The (partial) ranking loss is a commonly used evaluation measure for multi-label classification, which is usually optimized with convex surrogates for computational efficiency. Prior theoretical efforts on multi-label ranking mainly focus on (Fisher) consistency analyses. However, there is a gap between existing theory and practice --- some inconsistent pairwise losses can lead to promising performance, while some consistent univariate losses usually have no clear superiority in practice. To take a step towards filling up this gap, this paper presents a systematic study from two complementary perspectives of consistency and generalization error bounds of learning algorithms. We theoretically find two key factors of the distribution (or dataset) that affect the learning guarantees of algorithms: the instance-wise class imbalance and the label size $c$. Specifically, in an extremely imbalanced case, the algorithm with the consistent univariate loss has an error bound of $O(c)$, while the one with the inconsistent pairwise loss depends on $O(\sqrt{c})$ as shown in prior work. This may shed light on the superior performance of pairwise methods in practice, where real datasets are usually highly imbalanced. Moreover, we present an inconsistent reweighted univariate loss-based algorithm that enjoys an error bound of $O(\sqrt{c})$ for promising performance as well as the computational efficiency of univariate losses. Finally, experimental results confirm our theoretical findings.

Adversarial examples, generated by adding small but intentionally imperceptible perturbations to normal examples, can mislead deep neural networks (DNNs) to make incorrect predictions. Although much work has been done on both adversarial attack and defense, a fine-grained understanding of adversarial examples is still lacking. To address this issue, we present a visual analysis method to explain why adversarial examples are misclassified. The key is to compare and analyze the datapaths of both the adversarial and normal examples. A datapath is a group of critical neurons along with their connections. We formulate the datapath extraction as a subset selection problem and solve it by constructing and training a neural network. A multi-level visualization consisting of a network-level visualization of data flows, a layer-level visualization of feature maps, and a neuron-level visualization of learned features, has been designed to help investigate how datapaths of adversarial and normal examples diverge and merge in the prediction process. A quantitative evaluation and a case study were conducted to demonstrate the promise of our method to explain the misclassification of adversarial examples.

Score matching provides an effective approach to learning flexible unnormalized models, but its scalability is limited by the need to evaluate a second-order derivative. In this paper, we present a scalable approximation to a general family of learning objectives including score matching, by observing a new connection between these objectives and Wasserstein gradient flows. We present applications with promise in learning neural density estimators on manifolds, and training implicit variational and Wasserstein auto-encoders with a manifold-valued prior.

Deep neural networks are vulnerable to adversarial examples, which becomes one of the most important research problems in the development of deep learning. While a lot of efforts have been made in recent years, it is of great significance to perform correct and complete evaluations of the adversarial attack and defense algorithms. In this paper, we establish a comprehensive, rigorous, and coherent benchmark to evaluate adversarial robustness on image classification tasks. After briefly reviewing plenty of representative attack and defense methods, we perform large-scale experiments with two robustness curves as the fair-minded evaluation criteria to fully understand the performance of these methods. Based on the evaluation results, we draw several important findings that can provide insights for future research, including: 1) The relative robustness between models can change across different attack configurations, thus it is encouraged to adopt the robustness curves to evaluate adversarial robustness; 2) As one of the most effective defense techniques, adversarial training can generalize across different threat models; 3) Randomization-based defenses are more robust to query-based black-box attacks.

Generative flows are promising tractable models for density modeling that define probabilistic distributions with invertible transformations. However, tractability imposes architectural constraints on generative flows. In this work, we study a previously overlooked constraint that all the intermediate representations must have the same dimensionality with the data due to invertibility, limiting the width of the network. We propose VFlow to tackle this constraint on dimensionality. VFlow augments the data with extra dimensions and defines a maximum evidence lower bound (ELBO) objective for estimating the distribution of augmented data jointly with the variational data augmentation distribution. Under mild assumptions, we show that the maximum ELBO solution of VFlow is always better than the original maximum likelihood solution. For image density modeling on the CIFAR-10 dataset, VFlow achieves a new state-of-the-art 2.98 bits per dimension.

Generative adversarial networks (GANs) are effective in generating realistic images but the training is often unstable. There are existing efforts that model the training dynamics of GANs in the parameter space but the analysis cannot directly motivate practically effective stabilizing methods. To this end, we present a conceptually novel perspective from control theory to directly model the dynamics of GANs in the frequency domain and provide simple yet effective methods to stabilize GAN’s training. We first analyze the training dynamic of a prototypical Dirac GAN and adopt the widely-used closed-loop control (CLC) to improve its stability. We then extend CLC to stabilize the training dynamic of normal GANs, which can be implemented as an L2 regularizer on the output of the discriminator. Empirical results show that our method can effectively stabilize the training and obtain state-of-the-art performance on data generation tasks.

Estimating the score, i.e., the gradient of log density function, from a set of samples generated by an unknown distribution is a fundamental task in inference and learning of probabilistic models that involve flexible yet intractable densities. Kernel estimators based on Stein’s methods or score matching have shown promise, however their theoretical properties and relationships have not been fully-understood. We provide a unifying view of these estimators under the framework of regularized nonparametric regression. It allows us to analyse existing estimators and construct new ones with desirable properties by choosing different hypothesis spaces and regularizers. A unified convergence analysis is provided for such estimators. Finally, we propose score estimators based on iterative regularization that enjoy computational benefits from curl-free kernels and fast convergence.

Particle-based Variational Inference methods (ParVIs), like Stein Variational Gradient Descent, are nonparametric variational inference methods that optimize a set of particles to best approximate a target distribution. ParVIs have been proposed as efficient approximate inference algorithms and as potential alternatives to MCMC methods. However, to our knowledge, the quality of the posterior approximation of particles from ParVIs has not been examined before for large-scale Bayesian inference problems. We conduct this analysis and evaluate the sample quality of particles produced by ParVIs, and we find that existing ParVI approaches using stochastic gradients converge insufficiently fast under sample quality metrics. We propose a novel variance reduction and quasi-Newton preconditioning framework for ParVIs, by leveraging the Riemannian structure of the Wasserstein space and advanced Riemannian optimization algorithms. Experimental results demonstrate the accelerated convergence of variance reduction and quasi-Newton methods for ParVIs for accurate posterior inference in large-scale and ill-conditioned problems.

A substantial aspect of general intelligence is the ability to summarize basic building blocks from various high-level concepts. Artificial vision systems with such hierarchical property can not only perform accurate reasoning for complex observations, but also learn useful low-level knowledge shared across scenes. To achieve this goal, we propose a discrete memory addressing VAE model (DM-VAE) for explicitly memorizing and reasoning about shared primitives in images. A time-persistence memory module is used to store the learned abstract knowledge and to interact with the generative model. The model decides what to pay attention to at each step, and constructs the primitive library automatically as the learning progresses in a fully unsupervised setting. While performing inference, the model attempts to interpret a new observation as a combination of previously learned elements. We further derive a proper variational lower bound which can be optimized efficiently. We conduct visual comprehension experiments on images and demonstrate that our model is able to search, identify, and memorize semantically meaningful primitive concepts.

The recent, counter-intuitive discovery that deep generative models (DGMs) can frequently assign a higher likelihood to outliers has implications for both outlier detection applications as well as our overall understanding of generative modeling. In this work, we present a possible explanation for this phenomenon, starting from the observation that a model's typical set and high-density region may not conincide. From this vantage point we propose a novel outlier test, the empirical success of which suggests that the failure of existing likelihood-based outlier tests does not necessarily imply that the corresponding generative model is uncalibrated. We also conduct additional experiments to help disentangle the impact of low-level texture versus high-level semantics in differentiating outliers. In aggregate, these results suggest that modifications to the standard evaluation practices and benchmarks commonly applied in the literature are needed.

Score matching (SM) provides a compelling approach to learn energy-based models (EBMs) by avoiding the calculation of partition function. However, it remains largely open to learn energy-based latent variable models (EBLVMs), except some special cases. This paper presents a bi-level score matching (BiSM) method to learn EBLVMs with general structures by reformulating SM as a bi-level optimization problem. The higher level introduces a variational posterior of the latent variables and optimizes a modified SM objective, and the lower level optimizes the variational posterior to fit the true posterior. To solve BiSM efficiently, we develop a stochastic optimization algorithm with gradient unrolling. Theoretically, we analyze the consistency of BiSM and the convergence of the stochastic algorithm. Empirically, we show the promise of BiSM in Gaussian restricted Boltzmann machines and highly nonstructural EBLVMs parameterized by deep convolutional neural networks. BiSM is comparable to the widely adopted contrastive divergence and SM methods when they are applicable; and can learn complex EBLVMs with intractable posteriors to generate natural images.

Accurate quantification of uncertainty is crucial for real-world applications of machine learning. However, modern deep neural networks still produce unreliable predictive uncertainty, often yielding over-confident predictions. In this paper, we are concerned with getting well-calibrated predictions in regression tasks. We propose the calibrated regression method using the maximum mean discrepancy by minimizing the kernel embedding measure. Theoretically, the calibration error of our method asymptotically converges to zero when the sample size is large enough. Experiments on non-trivial real datasets show that our method can produce well-calibrated and sharp prediction intervals, which outperforms the related state-of-the-art methods.

There is an emerging trend to train a network with stochastic architectures to enable various architectures to be plugged and played during inference. However, the existing investigation is highly entangled with neural architecture search (NAS), limiting its widespread use across scenarios. In this work, we decouple the training of a network with stochastic architectures (NSA) from NAS and provide a first systematical investigation on it as a stand-alone problem. We first uncover the characteristics of NSA in various aspects ranging from training stability, convergence, predictive behaviour, to generalization capacity to unseen architectures. We identify various issues of the vanilla NSA, such as training/test disparity and function mode collapse, and further propose the solutions to these issues with theoretical and empirical insights. We believe that these results could also serve as good heuristics for NAS. Given these understandings, we further apply the NSA with our improvements into diverse scenarios to fully exploit its promise of inference-time architecture stochasticity, including model ensemble, uncertainty estimation and semi-supervised learning. Remarkable performance (e.g., 2.75% error rate and 0.0032 expected calibration error on CIFAR-10) validate the effectiveness of such a model, providing new perspectives of exploring the potential of the network with stochastic architectures, beyond NAS.

Adversarial training (AT) is among the most effective techniques to improve model robustness by augmenting training data with adversarial examples. However, most existing AT methods adopt a specific attack to craft adversarial examples, leading to the unreliable robustness against other unseen attacks. Besides, a single attack algorithm could be insufficient to explore the space of perturbations. In this paper, we introduce adversarial distributional training (ADT), a novel framework for learning robust models. ADT is formulated as a minimax optimization problem, where the inner maximization aims to learn an adversarial distribution to characterize the potential adversarial examples around a natural one under an entropic regularizer, and the outer minimization aims to train robust models by minimizing the expected loss over the worst-case adversarial distributions. Through a theoretical analysis, we develop a general algorithm for solving ADT, and present three approaches for parameterizing the adversarial distributions, ranging from the typical Gaussian distributions to the flexible implicit ones. Empirical results on several benchmarks validate the effectiveness of ADT compared with the state-of-the-art AT methods.

Several machine learning applications involve the optimization of higher-order derivatives (e.g., gradients of gradients) during training, which can be expensive with respect to memory and computation even with automatic differentiation. As a typical example in generative modeling, score matching~(SM) involves the optimization of the trace of a Hessian. To improve computing efficiency, we rewrite the SM objective and its variants in terms of directional derivatives, and present a generic strategy to efficiently approximate any-order directional derivative with finite difference~(FD). Our approximation only involves function evaluations, which can be executed in parallel, and no gradient computations. Thus, it reduces the total computational cost while also improving numerical stability. We provide two instantiations by reformulating variants of SM objectives into the FD forms. Empirically, we demonstrate that our methods produce results comparable to the gradient-based counterparts while being much more computationally efficient.

Adversarial training (AT) is one of the most effective defenses against adversarial attacks for deep learning models. In this work, we advocate incorporating the hypersphere embedding (HE) mechanism into the AT procedure by regularizing the features onto compact manifolds, which constitutes a lightweight yet effective module to blend in the strength of representation learning. Our extensive analyses reveal that AT and HE are well coupled to benefit the robustness of the adversarially trained models from several aspects. We validate the effectiveness and adaptability of HE by embedding it into the popular AT frameworks including PGD-AT, ALP, and TRADES, as well as the FreeAT and FastAT strategies. In the experiments, we evaluate our methods under a wide range of adversarial attacks on the CIFAR-10 and ImageNet datasets, which verifies that integrating HE can consistently enhance the model robustness for each AT framework with little extra computation.

Various evaluation measures have been developed for multi-label classification, including Hamming Loss (HL), Subset Accuracy (SA) and Ranking Loss (RL). However, there is a gap between empirical results and the existing theories: 1) an algorithm often empirically performs well on some measure(s) while poorly on others, while a formal theoretical analysis is lacking; and 2) in small label space cases, the algorithms optimizing HL often have comparable or even better performance on the SA measure than those optimizing SA directly, while existing theoretical results show that SA and HL are conflicting measures. This paper provides an attempt to fill up this gap by analyzing the learning guarantees of the corresponding learning algorithms on both SA and HL measures. We show that when a learning algorithm optimizes HL with its surrogate loss, it enjoys an error bound for the HL measure independent of $c$ (the number of labels), while the bound for the SA measure depends on at most $O(c)$. On the other hand, when directly optimizing SA with its surrogate loss, it has learning guarantees that depend on $O(\sqrt{c})$ for both HL and SA measures. This explains the observation that when the label space is not large, optimizing HL with its surrogate loss can have promising performance for SA. We further show that our techniques are applicable to analyze the learning guarantees of algorithms on other measures, such as RL. Finally, the theoretical analyses are supported by experimental results.

Exploration and exploitation trade-off is one of the key concerns in reinforcement learning. Previous work on one-player Markov Decision Processes has reached near-optimal results for both PAC and high probability regret guarantees. However, such an analysis is lacking for the more complex stochastic games with multi-players, where all players aim to find an approximate Nash Equilibrium. In this work, we address the exploration issue for the $N$-player finite-horizon turn-based stochastic games (FTSG). We propose a framework, \textit{Upper Bounding the Values for Players} (UBVP), to guide exploration in FTSGs. UBVP leverages the key insight that players choose the optimal policy conditioning on the policies of the others simultaneously; thus players can explore \textit{in the face of uncertainty} and get close to the Nash Equilibrium. Based on UBVP, we present two provable algorithms. One is \textit{Uniform}-PAC with a sample complexity of $\tilde{O}(1/\epsilon^2)$ to get an $\epsilon$-Nash Equilibrium for arbitrary $\epsilon>0$, and the other has a cumulative exploitability of $\tilde{O}(\sqrt{T})$ with high probability.

In recent years, neural networks have been used to generate symbolic melodies. However, the long-term structure in the melody has posed great difficulty to design a good model. In this article, we present a hierarchical recurrent neural network (HRNN) for melody generation, which consists of three long-short-term-memory (LSTM) subnetworks working in a coarse-to-fine manner along time. Specifically, the three subnetworks generate bar profiles, beat profiles, and notes, in turn, and the output of the high-level subnetworks are fed into the low-level subnetworks, serving as guidance to generate the finer time-scale melody components in the low-level subnetworks. Two human behavior experiments demonstrate the advantage of this structure over the single-layer LSTM which attempts to learn all hidden structures in melodies. Compared with the recently proposed models MidiNet and MusicVAE, the HRNN produces better melodies evaluated by humans.

Latent Dirichlet Allocation (LDA) is a popular tool for analyzing discrete count data such as text and images, which are required to model datasets and a large number of topics, e.g., tens of thousands of topics for industry scale applications. Although distributed CPU systems have been used to address this problem, they are slow and resource inefficient. GPU-based systems have emerged as a promising alternative because of their high computational power and memory bandwidth. However, existing GPU-based LDA systems can only learn thousands of topics, because they use dense data structures, and have linear time complexity to the number of topics. In this article, we propose SaberLDA, a GPU-based LDA system that implements a sparsity-aware algorithm to achieve sublinear time complexity to learn a large number of topics. To address the challenges introduced by sparsity, we propose a novel data layout, a warp-based sampling kernel, an efficient sparse matrix counting method, and a fine-grained load balancing strategy. SaberLDA achieves linear speedup on 4 GPUs and is 6-10 times faster than existing GPU systems in thousands of topics. It can learn 40,000 topics from a dataset of billions of tokens in two hours, which was previously only achievable using clusters of tens of CPU servers.

Deep reinforcement learning (DRL) has achieved surpassing human performance on Atari games, using raw pixels and rewards to learn everything. However, first-person-shooter (FPS) games in 3D environments contain higher levels of human concepts (enemy, weapon, spatial structure, etc.) and a large action space. In this paper, we explore a novel method which can plan on temporally-extended action sequences, which we refer as Combo-Action to compress the action space. We further train a deep recurrent Q-learning network model as a high-level controller, called supervisory network, to manage the Combo-Actions. Our method can be boosted with auxiliary tasks (enemy detection and depth prediction), which enable the agent to extract high-level concepts in the FPS games. Extensive experiments show that our method is efficient in training process and outperforms previous stateof-the-art approaches by a large margin. Ablation study experiments also indicate that our method can boost the performance of the FPS agent in a reasonable way.

Although adversarial samples of deep neural networks (DNNs) have been intensively studied on static images, their extensions in videos are never explored. Compared with images, attacking a video needs to consider not only spatial cues but also temporal cues. Moreover, to improve the imperceptibility as well as reduce the computation cost, perturbations should be added on as few frames as possible, i.e., adversarial perturbations are temporally sparse. This further motivates the propagation of perturbations, which denotes that perturbations added on the current frame can transfer to the next frames via their temporal interactions. Thus, no (or few) extra perturbations are needed for these frames to misclassify them. To this end, we propose the first white-box video attack method, which utilizes an l2,1-norm based optimization algorithm to compute the sparse adversarial perturbations for videos. We choose the action recognition as the targeted task, and networks with a CNN+RNN architecture as threat models to verify our method. Thanks to the propagation, we can compute perturbations on a shortened version video, and then adapt them to the long version video to fool DNNs. Experimental results on the UCF101 dataset demonstrate that even only one frame in a video is perturbed, the fooling rate can still reach 59.7%.

Spiking neural networks (SNNs) that enables energy efficient implementation on emerging neuromorphic hardware are gaining more attention. Yet now, SNNs have not shown competitive performance compared with artificial neural networks (ANNs), due to the lack of effective learning algorithms and efficient programming frameworks. We address this issue from two aspects: (1) We propose a neuron normalization technique to adjust the neural selectivity and develop a direct learning algorithm for deep SNNs. (2) Via narrowing the rate coding window and converting the leaky integrate-and-fire (LIF) model into an explicitly iterative version, we present a Pytorch-based implementation method towards the training of large-scale SNNs. In this way, we are able to train deep SNNs with tens of times speedup. As a result, we achieve significantly better accuracy than the reported works on neuromorphic datasets (N-MNIST and DVSCIFAR10), and comparable accuracy as existing ANNs and pre-trained SNNs on non-spiking datasets (CIFAR10). To our best knowledge, this is the first work that demonstrates direct training of deep SNNs with high performance on CIFAR10, and the efficient implementation provides a new way to explore the potential of SNNs.

Deep neural networks are vulnerable to adversarial examples, which can mislead classifiers by adding imperceptible perturbations. An intriguing property of adversarial examples is their good transferability, making black-box attacks feasible in real-world applications. Due to the threat of adversarial attacks, many methods have been proposed to improve the robustness. Several state-of-the-art defenses are shown to be robust against transferable adversarial examples. In this paper, we propose a translation-invariant attack method to generate more transferable adversarial examples against the defense models. By optimizing a perturbation over an ensemble of translated images, the generated adversarial example is less sensitive to the white-box model being attacked and has better transferability. To improve the efficiency of attacks, we further show that our method can be implemented by convolving the gradient at the untranslated image with a pre-defined kernel. Our method is generally applicable to any gradient-based attack method. Extensive experiments on the ImageNet dataset validate the effectiveness of the proposed method. Our best attack fools eight state-of-the-art defenses at an 82% success rate on average based only on the transferability, demonstrating the insecurity of the current defense techniques.

Face recognition has obtained remarkable progress in recent years due to the great improvement of deep convolutional neural networks (CNNs). However, deep CNNs are vulnerable to adversarial examples, which can cause fateful consequences in real-world face recognition applications with security-sensitive purposes. Adversarial attacks are widely studied as they can identify the vulnerability of the models before they are deployed. In this paper, we evaluate the robustness of state-of-the-art face recognition models in the decision-based black-box attack setting, where the attackers have no access to the model parameters and gradients, but can only acquire hard-label predictions by sending queries to the target model. This attack setting is more practical in real-world face recognition systems. To improve the efficiency of previous methods, we propose an evolutionary attack algorithm, which can model the local geometry of the search directions and reduce the dimension of the search space. Extensive experiments demonstrate the effectiveness of the proposed method that induces a minimum perturbation to an input face image with fewer queries. We also apply the proposed method to attack a real-world face recognition system successfully.

Deep learning methods have shown promise in unsupervised domain adaptation, which aims to leverage a labeled source domain to learn a classifier for the unlabeled target domain with a different distribution. However, such methods typically learn a domain-invariant representation space to match the marginal distributions of the source and target domains, while ignoring their fine-level structures. In this paper, we propose Cluster Alignment with a Teacher (CAT) for unsupervised domain adaptation, which can effectively incorporate the discriminative clustering structures in both domains for better adaptation. Technically, CAT leverages an implicit ensembling teacher model to reliably discover the class-conditional structure in the feature space for the unlabeled target domain. Then CAT forces the features of both the source and the target domains to form discriminative class-conditional clusters and aligns the corresponding clusters across domains. Empirical results demonstrate that CAT achieves state-of-the-art results in several unsupervised domain adaptation scenarios.

It is known that the Langevin dynamics used in MCMC is the gradient flow of the KL divergence on the Wasserstein space, which helps convergence analysis and inspires recent particle-based variational inference methods (ParVIs). But no more MCMC dynamics is understood in this way. In this work, by developing novel concepts, we propose a theoretical framework that recognizes a general MCMC dynamics as the fiber-gradient Hamiltonian flow on the Wasserstein space of a fiber-Riemannian Poisson manifold. The "conservation + convergence" structure of the flow gives a clear picture on the behavior of general MCMC dynamics. The framework also enables ParVI simulation of MCMC dynamics, which enriches the ParVI family with more efficient dynamics, and also adapts ParVI advantages to MCMCs. We develop two ParVI methods for a particular MCMC dynamics and demonstrate the benefits in experiments.

Particle-based variational inference methods (ParVIs) have gained attention in the Bayesian inference literature, for their capacity to yield flexible and accurate approximations. We explore ParVIs from the perspective of Wasserstein gradient flows, and make both theoretical and practical contributions. We unify various finite-particle approximations that existing ParVIs use, and recognize that the approximation is essentially a compulsory smoothing treatment, in either of two equivalent forms. This novel understanding reveals the assumptions and relations of existing ParVIs, and also inspires new ParVIs. We propose an acceleration framework and a principled bandwidth-selection method for general ParVIs; these are based on the developed theory and leverage the geometry of the Wasserstein space. Experimental results show the improved convergence by the acceleration framework and enhanced sample accuracy by the bandwidth-selection method.

Though deep neural networks have achieved significant progress on various tasks, often enhanced by model ensemble, existing high-performance models can be vulnerable to adversarial attacks. Many efforts have been devoted to enhancing the robustness of individual networks and then constructing a straightforward ensemble, e.g., by directly averaging the outputs, which ignores the interaction among networks. This paper presents a new method that explores the interaction among individual networks to improve robustness for ensemble models. Technically, we define a new notion of ensemble diversity in the adversarial setting as the diversity among non-maximal predictions of individual members, and present an adaptive diversity promoting (ADP) regularizer to encourage the diversity, which leads to globally better robustness for the ensemble by making adversarial examples difficult to transfer among individual members. Our method is computationally efficient and compatible with the defense methods acting on individual networks. Empirical results on various datasets verify that our method can improve adversarial robustness while maintaining state-of-the-art accuracy on normal examples.

Inference in Gaussian process (GP) models is computationally challenging for large data, and often difficult to approximate with a small number of inducing points. We explore an alternative approximation that employs stochastic inference networks for a flexible inference. Unfortunately, for such networks, minibatch training is difficult to be able to learn meaningful correlations over function outputs for a large dataset. We propose an algorithm that enables such training by tracking a stochastic, functional mirror-descent algorithm. At each iteration, this only requires considering a finite number of input locations, resulting in a scalable and easy-to-implement algorithm. Empirical results show comparable and, sometimes, superior performance to existing sparse variational GP methods.

Learning rational behaviors in First-person-shooter (FPS) games is a challenging task for Reinforcement Learning (RL) with the primary difficulties of huge action space and insufficient exploration. To address this, we propose a hierarchical agent based on combined options with intrinsic rewards to drive exploration. Specifically, we present a hierarchical model that works in a manager-worker fashion over two levels of hierarchy. The high-level manager learns a policy over options, and the low-level workers, motivated by intrinsic reward, learn to execute the options. Performance is further improved with environmental signals appropriately harnessed. Extensive experiments demonstrate that our trained bot significantly outperforms the alternative RL-based models on FPS games requiring maze solving and combat skills, etc. Notably, we achieved first place in VDAIC 2018 Track(1).

We consider the black-box adversarial setting, where the adversary has to generate adversarial perturbations without access to the target models to compute gradients. Previous methods tried to approximate the gradient either by using a transfer gradient of a surrogate white-box model, or based on the query feedback. However, these methods often suffer from low attack success rates or poor query efficiency since it is non-trivial to estimate the gradient in a high-dimensional space with limited information. To address these problems, we propose a prior-guided random gradient-free (P-RGF) method to improve black-box adversarial attacks, which takes the advantage of a transfer-based prior and the query information simultaneously. The transfer-based prior given by the gradient of a surrogate model is appropriately integrated into our algorithm by an optimal coefficient derived by a theoretical analysis. Extensive experiments demonstrate that our method requires much fewer queries to attack black-box models with higher success rates compared with the alternative state-of-the-art methods.

Deep generative models (DGMs) have shown promise in image generation. However, most of the existing methods learn a model by simply optimizing a divergence between the marginal distributions of the model and the data, and often fail to capture rich structures, such as attributes of objects and their relationships, in an image. Human knowledge is a crucial element to the success of DGMs to infer these structures, especially in unsupervised learning. In this paper, we propose amortized structural regularization (ASR), which adopts posterior regularization (PR) to embed human knowledge into DGMs via a set of structural constraints. We derive a lower bound of the regularized log-likelihood in PR and adopt the amortized inference technique to jointly optimize the generative model and an auxiliary recognition model for inference efficiently. Empirical results show that ASR outperforms the DGM baselines in terms of inference performance and sample quality.

Learning-from-crowds aims to design proper aggregation strategies to infer the unknown true labels from the noisy labels provided by ordinary web workers. This paper presents max-margin majority voting (M$^3$3V) to improve the discriminative ability of majority voting and further presents a Bayesian generalization to incorporate the flexibility of generative methods on modeling noisy observations with worker confusion matrices for different application settings. We first introduce the crowdsourcing margin of majority voting, then we formulate the joint learning as a regularized Bayesian inference (RegBayes) problem, where the posterior regularization is derived by maximizing the margin between the aggregated score of a potential true label and that of any alternative label. Our Bayesian model naturally covers the Dawid-Skene estimator and M$^3$3V as its two special cases. Due to the flexibility of our model, we extend it to handle crowdsourced labels with an ordinal structure with the main ideas about the crowdsourcing margin unchanged. Moreover, we consider an online learning-from-crowds setting where labels coming in a stream. Empirical results demonstrate that our methods are competitive, often achieving better results than state-of-the-art estimators.

Deep neural networks have shown promise in collaborative filtering (CF). However, existing neural approaches are either user-based or item-based, which cannot leverage all the underlying information explicitly. We propose CF-UIcA, a neural co-autoregressive model for CF tasks, which exploits the structural correlation in the domains of both users and items. The co-autoregression allows extra desired properties to be incorporated for different tasks. Furthermore, we develop an efficient stochastic learning algorithm to handle large scale datasets. We evaluate CF-UIcA on two popular benchmarks: MovieLens 1M and Netflix, and achieve state-of-the-art performance in both rating prediction and top-N recommendation tasks, which demonstrates the effectiveness of CF-UIcA.

We develop Riemannian Stein Variational Gradient Descent (RSVGD), a Bayesian inference method that generalizes Stein Variational Gradient Descent (SVGD) to Riemann manifold. The benefits are two-folds: (i) for inference tasks in Euclidean spaces, RSVGD has the advantage over SVGD of utilizing information geometry, and (ii) for inference tasks on Riemann manifolds, RSVGD brings the unique advantages of SVGD to the Riemannian world. To appropriately transfer to Riemann manifolds, we conceive novel and non-trivial techniques for RSVGD, which are required by the intrinsically different characteristics of general Riemann manifolds from Euclidean spaces. We also discover Riemannian Stein's Identity and Riemannian Kernelized Stein Discrepancy. Experimental results show the advantages over SVGD of exploring distribution geometry and the advantages of particle-efficiency, iteration-effectiveness and approximation flexibility over other inference methods on Riemann manifolds.

To deal with the low qualities of web workers in crowdsourcing, many unsupervised label aggregation methods have been investigated but most of them provide inconsistent performance. In this paper, we explore the learning from crowds with selective verification problem. In addition to the noisy responses from the crowds, it also collects the ground truths for a well-chosen subset of tasks as the reference, then aggregates the redundant responses based on the patterns provided by both the supervised and unsupervised signal. To improve the labeling efficiency, we propose the EBM selecting strategy for choosing the verification subset, which is based on the loss error minimization. Specifically, we first establish the expected loss error given the semi-supervised learning estimate, then find the subset that minimizes this selecting criterion. We do extensive empirical comparisons on both synthetic and real-world datasets to show the benefits of this new learning setting as well as our proposal.

Probabilistic topic models are popular unsupervised learning methods, including probabilistic latent semantic indexing (pLSI) and latent Dirichlet allocation (LDA). By now, their training is implemented on general purpose computers (GPCs), which are flexible in programming but energy-consuming. Towards low-energy implementations, this paper investigates their training on an emerging hardware technology called the neuromorphic multi-chip systems (NMSs). NMSs are very effective for a family of algorithms called spiking neural networks (SNNs). We present three SNNs to train topic models.The first SNN is a batch algorithm combining the conventional collapsed Gibbs sampling (CGS) algorithm and an inference SNN to train LDA. The other two SNNs are online algorithms targeting at both energy- and storage-limited environments. The two online algorithms are equivalent with training LDA by using maximum-a-posterior estimation and maximizing the semi-collapsed likelihood, respectively.They use novel, tailored ordinary differential equations for stochastic optimization. We simulate the new algorithms and show that they are comparable with the GPC algorithms, while being suitable for NMS implementation. We also propose an extension to train pLSI and a method to prune the network to obey the limited fan-in of some NMSs.

Crowd behavior understanding is crucial yet challenging across a wide range of applications, since crowd behavior is inherently determined by a sequential decision-making process based on various factors, such as the pedestrians' own destinations, interaction with nearby pedestrians and anticipation of upcoming events. In this paper, we propose a novel framework of Social-Aware Generative Adversarial Imitation Learning (SA-GAIL) to mimic the underlying decision-making process of pedestrians in crowds. Specifically, we infer the latent factors of human decision-making process in an unsupervised manner by extending the Generative Adversarial Imitation Learning framework to anticipate future paths of pedestrians. Different factors of human decision making are disentangled with mutual information maximization, with the process modeled by collision avoidance regularization and Social-Aware LSTMs. Experimental results demonstrate the potential of our framework in disentangling the latent decision-making factors of pedestrians and stronger abilities in predicting future trajectories.

Deep neural networks are vulnerable to adversarial examples, which poses security concerns on these algorithms due to the potentially severe consequences. Adversarial attacks serve as an important surrogate to evaluate the robustness of deep learning models before they are deployed. However, most of existing adversarial attacks can only fool a black-box model with a low success rate. To address this issue, we propose a broad class of momentum-based iterative algorithms to boost adversarial attacks. By integrating the momentum term into the iterative process for attacks, our methods can stabilize update directions and escape from poor local maxima during the iterations, resulting in more transferable adversarial examples. To further improve the success rates for black-box attacks, we apply momentum iterative algorithms to an ensemble of models, and show that the adversarially trained models with a strong defense ability are also vulnerable to our black-box attacks. We hope that the proposed methods will serve as a benchmark for evaluating the robustness of various deep models and defense methods. With this method, we won the first places in NIPS 2017 Non-targeted Adversarial Attack and Targeted Adversarial Attack competitions.

Textbook Question Answering (TQA) is a task to choose the most proper answers by reading a multi-modal context of abundant essays and images. TQA serves as a favorable test bed for visual and textual reasoning. However, most of the current methods are incapable of reasoning over the long contexts and images. To address this issue, we propose a novel approach of Instructor Guidance with Memory Networks (IGMN) which conducts the TQA task by finding contradictions between the candidate answers and their corresponding context. We build the Contradiction Entity-Relationship Graph (CERG) to extend the passage-level multi-modal contradictions to an essay level. The machine thus performs as an instructor to extract the essay-level contradictions as the Guidance. Afterwards, we exploit the memory networks to capture the information in the Guidance, and use the attention mechanisms to jointly reason over the global features of the multi-modal input. Extensive experiments demonstrate that our method outperforms the state-of-the-arts on the TQA dataset. The source code is available at https://github.com/freerailway/igmn.

Neural networks are vulnerable to adversarial examples, which poses a threat to their application in security sensitive systems. We propose high-level representation guided denoiser (HGD) as a defense for image classification. Standard denoiser suffers from the error amplification effect, in which small residual adversarial noise is progressively amplified and leads to wrong classifications. HGD overcomes this problem by using a loss function defined as the difference between the target model's outputs activated by the clean image and denoised image. Compared with ensemble adversarial training which is the state-of-the-art defending method on large images, HGD has three advantages. First, with HGD as a defense, the target model is more robust to either white-box or black-box adversarial attacks. Second, HGD can be trained on a small subset of the images and generalizes well to other images and unseen classes. Third, HGD can be transferred to defend models other than the one guiding it. In NIPS competition on defense against adversarial attacks, our HGD solution won the first place and outperformed other models by a large margin.

The recently proposed self-ensembling methods have achieved promising results in deep semi-supervised learning, which penalize inconsistent predictions of unlabeled data under different perturbations. However, they only consider adding perturbations to each single data point, while ignoring the connections between data samples. In this paper, we propose a novel method, called Smooth Neighbors on Teacher Graphs (SNTG). In SNTG, a graph is constructed based on the predictions of the teacher model, i.e., the implicit self-ensemble of models. Then the graph serves as a similarity measure with respect to which the representations of "similar" neighboring points are learned to be smooth on the low-dimensional manifold. We achieve state-of-the-art results on semi-supervised learning benchmarks. The error rates are 9.89%, 3.99% for CIFAR-10 with 4000 labels, SVHN with 500 labels, respectively. In particular, the improvements are significant when the labels are fewer. For the non-augmented MNIST with only 20 labels, the error rate is reduced from previous 4.81% to 1.36%. Our method also shows robustness to noisy labels.

Textbook Question Answering (TQA) [1] is a newly proposed task to answer arbitrary questions in middle school curricula, which has particular challenges to understand the long essays in additional to the images. Bilinear models [2], [3] are effective at learning high-level associations between questions and images, but are inefficient to handle the long essays. In this paper, we propose an Essay-anchor Attentive Multi-modal Bilinear pooling (EAMB), a novel method to encode the long essays into the joint space of the questions and images. The essay-anchors, embedded from the keywords, represent the essay information in a latent space. We propose a novel network architecture to pay special attention on the keywords in the questions, consequently encoding the essay information into the question features, and thus the joint space with the images. We then use the bilinear models to extract the multi-modal interactions to obtain the answers. EAMB successfully utilizes the redundancy of the pre-trained word embedding space to represent the essay-anchors. This avoids the extra learning difficulties from exploiting large network structures. Quantitative and qualitative experiments show the outperforming effects of EAMB on the TQA dataset.

Graph convolutional networks (GCNs) are powerful deep neural networks for graph-structured data. However, GCN computes the representation of a node recursively from its neighbors, making the receptive field size grow exponentially with the number of layers. Previous attempts on reducing the receptive field size by subsampling neighbors do not have convergence guarantee, and their receptive field size per node is still in the order of hundreds. In this paper, we develop control variate based algorithms with new theoretical guarantee to converge to a local optimum of GCN regardless of the neighbor sampling size. Empirical results show that our algorithms enjoy similar convergence rate and model quality with the exact algorithm using only two neighbors per node. The running time of our algorithms on a large Reddit dataset is only one seventh of previous neighbor sampling algorithms.

Deep learning on graph structures has shown exciting results in various applications. However, few attentions have been paid to the robustness of such models, in contrast to numerous research work for image or text adversarial attack and defense. In this paper, we focus on the adversarial attacks that fool deep learning models by modifying the combinatorial structure of data. We first propose a reinforcement learning based attack method that learns the generalizable attack policy, while only requiring prediction labels from the target classifier. We further propose attack methods based on genetic algorithms and gradient descent in the scenario where additional prediction confidence or gradients are available. We use both synthetic and real-world data to show that, a family of Graph Neural Network models are vulnerable to these attacks, in both graph-level and node-level classification tasks. We also show such attacks can be used to diagnose the learned classifiers.

A deep neural network (DNN) consists of a nonlinear transformation from an input to a feature representation, followed by a common softmax linear classifier. Though many efforts have been devoted to designing a proper architecture for nonlinear transformation, little investigation has been done on the classifier part. In this paper, we show that a properly designed classifier can improve robustness to adversarial attacks and lead to better prediction results. Specifically, we define a Max-Mahalanobis distribution (MMD) and theoretically show that if the input distributes as a MMD, the linear discriminant analysis (LDA) classifier will have the best robustness to adversarial examples. We further propose a novel Max-Mahalanobis linear discriminant analysis (MM-LDA) network, which explicitly maps a complicated data distribution in the input space to a MMD in the latent feature space and then applies LDA to make predictions. Our results demonstrate that the MM-LDA networks are significantly more robust to adversarial attacks, and have better performance in class-biased classification.

Recently there have been increasing interests in learning and inference with implicit distributions (i.e., distributions without tractable densities). To this end, we develop a gradient estimator for implicit distributions based on Stein’s identity and a spectral decomposition of kernel operators, where the eigenfunctions are approximated by the Nystr{ö}m method. Unlike the previous works that only provide estimates at the sample points, our approach directly estimates the gradient function, thus allows for a simple and principled out-of-sample extension. We provide theoretical results on the error bound of the estimator and discuss the bias-variance tradeoff in practice. The effectiveness of our method is demonstrated by applications to gradient-free Hamiltonian Monte Carlo and variational inference with implicit distributions. Finally, we discuss the intuition behind the estimator by drawing connections between the Nystr{ö}m method and kernel PCA, which indicates that the estimator can automatically adapt to the geometry of the underlying distribution.

Thompson sampling has impressive empirical performance for many multi-armed bandit problems. But current algorithms for Thompson sampling only work for the case of conjugate priors since they require to perform online Bayesian posterior inference, which is a difficult task when the prior is not conjugate. In this paper, we propose a novel algorithm for Thompson sampling which only requires to draw samples from a tractable proposal distribution. So our algorithm is efficient even when the prior is non-conjugate. To do this, we reformulate Thompson sampling as an optimization proplem via the Gumbel-Max trick. After that we construct a set of random variables and our goal is to identify the one with highest mean which is an instance of best arm identification problems. Finally, we solve it with techniques in best arm identification. Experiments show that our algorithm works well in practice.

Stein variational gradient descent (SVGD) is a recently proposed particle-based Bayesian inference method, which has attracted a lot of interest due to its remarkable approximation ability and particle efficiency compared to traditional variational inference and Markov Chain Monte Carlo methods. However, we observed that particles of SVGD tend to collapse to modes of the target distribution, and this particle degeneracy phenomenon becomes more severe with higher dimensions. Our theoretical analysis finds out that there exists a negative correlation between the dimensionality and the repulsive force of SVGD which should be blamed for this phenomenon. We propose Message Passing SVGD (MP-SVGD) to solve this problem. By leveraging the conditional independence structure of probabilistic graphical models (PGMs), MP-SVGD converts the original high-dimensional global inference problem into a set of local ones over the Markov blanket with lower dimensions. Experimental results show its advantages of preventing vanishing repulsive force in high-dimensional space over SVGD, and its particle efficiency and approximation flexibility over other inference methods on graphical models.

Automatically writing stylized characters is an attractive yet challenging task, especially for Chinese characters with complex shapes and structures. Most current methods are restricted to generate stylized characters already present in the training set, but required to retrain the model when generating characters of new styles. In this paper, we develop a novel framework of Style-Aware Variational Auto-Encoder (SA-VAE), which disentangles the content-relevant and style-relevant components of a Chinese character feature with a novel intercross pair-wise optimization method. In this case, our method can generate Chinese characters flexibly by reading a few examples. Experiments demonstrate that our method has a powerful one-shot/few-shot generalization ability by inferring the style representation, which is the first attempt to learn to write new-style Chinese characters by observing only one or a few examples.

Probabilistic machine learning provides a suite of powerful tools for modeling uncertainty, performing probabilistic inference, and making predictions or decisions in uncertain environments. In this paper, we present an overview of our recent work on probabilistic machine learning, including the theory of regularized Bayesian inference, Bayesian deep learning, scalable inference algorithms, a probabilistic programming library named ZhuSuan, and applications in representation learning as well as learning from crowds.

Although image-to-image translation has been widely studied, the video-to-video translation is rarely mentioned. In this paper, we propose an unified video-to-video translation framework to accom- plish different tasks, like video super-resolution, video colouriza- tion, and video segmentation, etc. A consequent question within video-to-video translation lies in the flickering appearance along with the varying frames. To overcome this issue, a usual method is to incorporate the temporal loss between adjacent frames in the optimization, which is a kind of local frame-wise temporal con- sistency. We instead present a residual error based mechanism to ensure the video-level consistency of the same location in different frames (called (lobal temporal consistency). The global and local consistency are simultaneously integrated into our video-to-video framework to achieve more stable videos. Our method is based on the GAN framework, where we present a two-channel discrimina- tor. One channel is to encode the video RGB space, and another is to encode the residual error of the video as a whole to meet the global consistency. Extensive experiments conducted on different video- to-video translation tasks verify the effectiveness and flexibleness of the proposed method.

Expectation-Maximization (EM) is a popular tool for learning latent variable models, but the vanilla batch EM does not scale to large data sets because the whole data set is needed at every E-step. Stochastic Expectation Maximization (sEM) reduces the cost of E-step by stochastic approximation. However, sEM has a slower asymptotic convergence rate than batch EM, and requires a decreasing sequence of step sizes, which is difficult to tune. In this paper, we propose a variance reduced stochastic EM (sEM-vr) algorithm inspired by variance reduced stochastic gradient descent algorithms. We show that sEM-vr has the same exponential asymptotic convergence rate as batch EM. Moreover, sEM-vr only requires a constant step size to achieve this rate, which alleviates the burden of parameter tuning. We compare sEM-vr with batch EM, sEM and other algorithms on Gaussian mixture models and probabilistic latent semantic analysis, and sEM-vr converges significantly faster than these baselines.

We propose Graphical Generative Adversarial Networks (Graphical-GAN) to model structured data. Graphical-GAN conjoins the power of Bayesian networks on compactly representing the dependency structures among random variables and that of generative adversarial networks on learning expressive dependency functions. We introduce a structured recognition model to infer the posterior distribution of latent variables given observations. We generalize the Expectation Propagation (EP) algorithm to learn the generative model and recognition model jointly. Finally, we present two important instances of Graphical-GAN, i.e. Gaussian Mixture GAN (GMGAN) and State Space GAN (SSGAN), which can successfully learn the discrete and temporal structures on visual datasets, respectively.

We consider the semi-supervised clustering problem where crowdsourcing provides noisy information about the pairwise comparisons on a small subset of data, i.e., whether a sample pair is in the same cluster. We propose a new approach that includes a deep generative model (DGM) to characterize low-level features of the data, and a statistical relational model for noisy pairwise annotations on its subset. The two parts share the latent variables. To make the model automatically trade-off between its complexity and fitting data, we also develop its fully Bayesian variant. The challenge of inference is addressed by fast (natural-gradient) stochastic variational inference algorithms, where we effectively combine variational message passing for the relational part and amortized learning of the DGM under a unified framework. Empirical results on synthetic and real-world datasets show that our model outperforms previous crowdsourced clustering methods.

Although the recent progress is substantial, deep learning methods can be vulnerable to the maliciously generated adversarial examples. In this paper, we present a novel training procedure and a thresholding test strategy, towards robust detection of adversarial examples. In training, we propose to minimize the reverse cross-entropy (RCE), which encourages a deep network to learn latent representations that better distinguish adversarial examples from normal ones. In testing, we propose to use a thresholding strategy as the detector to filter out adversarial examples for reliable predictions. Our method is simple to implement using standard algorithms, with little extra training cost compared to the common cross-entropy minimization. We apply our method to defend various attacking methods on the widely used MNIST and CIFAR-10 datasets, and achieve significant improvements on robust predictions under all the threat models in the adversarial setting.

Deep generative models (DGMs) can effectively capture the underlying distributions of complex data by learning multilayered representations and performing inference. However, it is relatively insufficient to boost the discriminative ability of DGMs. This paper presents max-margin deep generative models (mmDGMs) and a class-conditional variant (mmDCGMs), which explore the strongly discriminative principle of max-margin learning to improve the predictive performance of DGMs in both supervised and semi-supervised learning, while retaining the generative capability. In semi-supervised learning, we use the predictions of a max-margin classifier as the missing labels instead of performing full posterior inference for efficiency; we also introduce additional max-margin and label-balance regularization terms of unlabeled data for effectiveness. We develop an efficient doubly stochastic subgradient algorithm for the piecewise linear objectives in different settings. Empirical results on various datasets demonstrate that: (1) max-margin learning can significantly improve the prediction performance of DGMs and meanwhile retain the generative ability; (2) in supervised learning, mmDGMs are competitive to the best fully discriminative networks when employing convolutional neural networks as the generative and recognition models; and (3) in semi-supervised learning, mmDCGMs can perform efficient inference and achieve state-of-the-art classification results on several benchmarks.

Supervised topic models simultaneously model the latent topic structure of large collections of documents and a response variable associated with each document. Existing inference methods are based on variational approximation or Monte Carlo sampling, which often suffers from the local minimum defect. Spectral methods have been applied to learn unsupervised topic models, such as latent Dirichlet allocation (LDA), with provable guarantees. This paper investigates the possibility of applying spectral methods to recover the parameters of supervised LDA (sLDA). We first present a two-stage spectral method, which recovers the parameters of LDA followed by a power update method to recover the regression model parameters. Then, we further present a single-phase spectral algorithm to jointly recover the topic distribution matrix as well as the regression weights. Our spectral algorithms are provably correct and computationally efficient. We prove a sample complexity bound for each algorithm and subsequently derive a sufficient condition for the identifiability of sLDA. Thorough experiments on synthetic and real-world datasets verify the theory and demonstrate the practical effectiveness of the spectral algorithms. In fact, our results on a large-scale review rating dataset demonstrate that our single-phase spectral algorithm alone gets comparable or even better performance than state-of-the-art methods, while previous work on spectral methods has rarely reported such promising performance.

Large-scale topic models serve as basic tools for feature extraction and dimensionality reduction in many practical applications. As a natural extension of flat topic models, hierarchical topic models (HTMs) are able to learn topics of different levels of abstraction, which lead to deeper understanding and better generalization than their flat counterparts. However, existing scalable systems for flat topic models cannot handle HTMs, due to their complicated data structures such as trees and concurrent dynamically growing matrices, as well as their susceptibility to local optima. In this paper, we study the hierarchical latent Dirichlet allocation (hLDA) model which is a powerful nonparametric Bayesian HTM. We propose an efficient partially collapsed Gibbs sampling algorithm for hLDA, as well as an initialization strategy to deal with local optima introduced by tree-structured models. We also identify new system challenges in building scalable systems for HTMs, and propose efficient data layout for vectorizing HTM as well as distributed data structures including dynamic matrices and trees. Empirical studies show that our system is 87 times more efficient than the previous open-source implementation for hLDA, and can scale to thousands of CPU cores. We demonstrate our scalability on a 131-million-document corpus with 28 billion tokens, which is 4--5 orders of magnitude larger than previously used corpus. Our distributed implementation can extract 1,722 topics from the corpus with 50 machines in just 7 hours.

Deep generative models (DGMs), which are often organized in a hierarchical manner, provide a principled framework of capturing the underlying causal factors of data. Recent work on DGMs focussed on the development of efficient and scalable variational inference methods that learn a single model under some mean-field or parameterization assumptions. However, little work has been done on extending Markov chain Monte Carlo (MCMC) methods to Bayesian DGMs, which enjoy many advantages compared with variational methods. We present doubly stochastic gradient MCMC, a simple and generic method for (approximate) Bayesian inference of DGMs in a collapsed continuous parameter space. At each MCMC sampling step, the algorithm randomly draws a mini-batch of data samples to estimate the gradient of log-posterior and further estimates the intractable expectation over hidden variables via a neural adaptive importance sampler, where the proposal distribution is parameterized by a deep neural network and learnt jointly along with the sampling process. We demonstrate the effectiveness of learning various DGMs on a wide range of tasks, including density estimation, data generation, and missing data imputation. Our method outperforms many state-of-the-art competitors.

Among the many types of deep models, deep generative models (DGMs) provide a solution to the important problem of unsupervised and semi-supervised learning. However, training DGMs requires more skill, experience, and know-how because their training is more complex than other types of deep models such as convolutional neural networks (CNNs). We develop a visual analytics approach for better understanding and diagnosing the training process of a DGM. To help experts understand the overall training process, we first extract a large amount of time series data that represents training dynamics (e.g., activation changes over time). A blue-noise polyline sampling scheme is then introduced to select time series samples, which can both preserve outliers and reduce visual clutter. To further investigate the root cause of a failed training process, we propose a credit assignment algorithm that indicates how other neurons contribute to the output of the neuron causing the training failure. Two case studies are conducted with machine learning experts to demonstrate how our approach helps understand and diagnose the training processes of DGMs. We also show how our approach can be directly used to analyze other types of deep models, such as CNNs.

Tree boosting, which combines weak learners (typically decision trees) to generate a strong learner, is a highly effective and widely used machine learning method. However, the development of a high performance tree boosting model is a time-consuming process that requires numerous trial-and-error experiments. To tackle this issue, we have developed a visual diagnosis tool, BOOSTVis, to help experts quickly analyze and diagnose the training process of tree boosting. In particular, we have designed a temporal confusion matrix visualization, and combined it with a t-SNE projection and a tree visualization. These visualization components work together to provide a comprehensive overview of a tree boosting model, and enable an effective diagnosis of an unsatisfactory training process. Two case studies that were conducted on the Otto Group Product Classification Challenge dataset demonstrate that BOOSTVis can provide informative feedback and guidance to improve understanding and diagnosis of tree boosting algorithms.

Finding semantic attributes to describe related concepts is typically a hard problem. The commonly used attributes in most fields are designed by domain experts, which is expensive and time-consuming. In this paper we propose an efficient method to learn human comprehensible attributes with crowdsourcing. We first design an analogical interface to collect relative labels from the crowds. Then we propose a hierarchical Bayesian model, as well as an efficient initialization strategy, to aggregate labels and extract concise attributes. Our experimental results demonstrate promise on discovering diverse and convincing attributes, which significantly improve the performance of the challenging zero-shot learning tasks.

Latent Dirichlet Allocation (LDA) is a popular tool for analyzing discrete count data such as text and images. Applications require LDA to handle both large datasets and a large number of topics. Though distributed CPU systems have been used, GPU-based systems have emerged as a promising alternative because of the high computational power and memory bandwidth of GPUs. However, existing GPU-based LDA systems cannot support a large number of topics because they use algorithms on dense data structures whose time and space complexity is linear to the number of topics.

Interpretability of deep neural networks (DNNs) is essential since it enables users to understand the overall strengths and weaknesses of the models, conveys an understanding of how the models will behave in the future, and how to diagnose and correct potential problems. However, it is challenging to reason about what a DNN actually does due to its opaque or black-box nature. To address this issue, we propose a novel technique to improve the interpretability of DNNs by leveraging the rich semantic information embedded in human descriptions. By concentrating on the video captioning task, we first extract a set of semantically meaningful topics from the human descriptions that cover a wide range of visual concepts, and integrate them into the model with an interpretive loss. We then propose a prediction difference maximization algorithm to interpret the learned features of each neuron. Experimental results demonstrate its effectiveness in video captioning using the interpretable features, which can also be transferred to video action recognition. By clearly understanding the learned features, users can easily revise false predictions via a human-in-the-loop procedure.

We study the problem on how to learn the pure Nash Equilibrium of a two-player zero-sum static game with random payoffs under unknown distributions via efficient payoff queries. We introduce a multi-armed bandit model to this problem due to its ability to find the best arm efficiently among random arms and propose two algorithms for this problem—LUCB-G based on the confidence bounds and a racing algorithm based on successive action elimination. We provide an analysis on the sample complexity lower bound when the Nash Equilibrium exists.

Supervised topic models leverage label information to learn discriminative latent topic representations. As collecting a fully labeled dataset is often time-consuming, semi-supervised learning is of high interest. In this paper, we present an effective semi-supervised max-margin topic model by naturally introducing manifold posterior regularization to a regularized Bayesian topic model, named LapMedLDA. The model jointly learns latent topics and a related classifier with only a small fraction of labeled documents. To perform the approximate inference, we derive an efficient stochastic gradient MCMC method. Unlike the previous semi-supervised topic models, our model adopts a tight coupling between the generative topic model and the discriminative classifier. Extensive experiments demonstrate that such tight coupling brings significant benefits in quantitative and qualitative performance.

Although several effective learning-from-crowd methods have been developed to infer correct labels from noisy crowdsourced labels, a method for post-processed expert validation is still needed. This paper introduces a semi-supervised learning algorithm that is capable of selecting the most informative instances and maximizing the influence of expert labels. Specifically, we have developed a complete uncertainty assessment to facilitate the selection of the most informative instances. The expert labels are then propagated to similar instances via regularized Bayesian inference. Experiments on both real-world and simulated datasets indicate that given a specific accuracy goal (e.g., 95%) our method reduces expert effort from 39% to 60% compared with the state-of-the-art method.

We develop a general accelerated proximal coordinate descent algorithm in distributed settings (Dis- APCG) for the optimization problem that minimizes the sum of two convex functions: the first part f is smooth with a gradient oracle, and the other one Ψ is separable with respect to blocks of coordinate and has a simple known structure (e.g., L1 norm). Our algorithm gets new accelerated convergence rate in the case that f is strongly con- vex by making use of modern parallel structures, and includes previous non-strongly case as a special case. We further present efficient implementations to avoid full-dimensional operations in each step, significantly reducing the computation cost. Experiments on the regularized empirical risk minimization problem demonstrate the effectiveness of our algorithm and match our theoretical findings.

Forecasting the future plausible paths of pedestrians in crowd scenes is of wide applications, but it still remains as a challenging task due to the complexities and uncertainties of crowd motions. To address these issues, we propose to explore the inherent crowd dynamics via a social-aware recurrent Gaussian process model, which facilitates the path prediction by taking advantages of the interplay between the rich prior knowledge and motion uncertainties. Specifically, we derive a social-aware LSTM to explore the crowd dynamic, resulting in a hidden feature embedding the rich prior in massive data. Afterwards, we integrate the descriptor into deep Gaussian processes with motion uncertainties appropriately harnessed. Crowd motion forecasting is implemented by regressing relative motion against the current positions, yielding the predicted paths based on a functional object associated with a distribution. Extensive experiments on public datasets demonstrate that our method obtains the state-of-the-art performance in both structured and unstructured scenes by exploring the complex and uncertain motion patterns, even if the occlusion is serious or the observed trajectories are noisy.

A differentiable estimation of the distance between two distributions based on samples is important for many deep learning tasks. One such estimation is maximum mean discrepancy (MMD). However, MMD suffers from its sensitive kernel bandwidth hyper-parameter, weak gradients, and large mini-batch size when used as a training objective. In this paper, we propose population matching discrepancy (PMD) for estimating the distribution distance based on samples, as well as an algorithm to learn the parameters of the distributions using PMD as an objective. PMD is defined as the minimum weight matching of sample populations from each distribution, and we prove that PMD is a strongly consistent estimator of the first Wasserstein metric. We apply PMD to two deep learning tasks, domain adaptation and generative modeling. Empirical results demonstrate that PMD overcomes the aforementioned drawbacks of MMD, and outperforms MMD on both tasks in terms of the performance as well as the convergence speed.

We study the problem of conditional generative modeling based on designated semantics or structures. Existing models that build conditional generators either require massive labeled instances as supervision or are unable to accurately control the semantics of generated samples. We propose structured generative adversarial networks (SGANs) for semi-supervised conditional generative modeling. SGAN assumes the data x is generated conditioned on two independent latent variables: y that encodes the designated semantics, and z that contains other factors of variation. To ensure disentangled semantics in y and z, SGAN builds two collaborative games in the hidden space to minimize the reconstruction error of y and z, respectively. Training SGAN also involves solving two adversarial games that have their equilibrium concentrating at the true joint data distributions p(x, z) and p(x, y), avoiding distributing the probability mass diffusely over data space that MLE-based methods may suffer. We assess SGAN by evaluating its trained networks, and its performance on downstream tasks. We show that SGAN delivers a highly controllable generator, and disentangled representations; it also establishes start-of-the-art results across multiple datasets when applied for semi-supervised image classification (1.27%, 5.73%, 17.26% error rates on MNIST, SVHN and CIFAR-10 using 50, 1000 and 4000 labels, respectively). Benefiting from the separate modeling of y and z, SGAN can generate images with high visual quality and strictly following the designated semantic, and can be extended to a wide spectrum of applications, such as style transfer.

Generative Adversarial Nets (GANs) have shown promise in image generation and semi-supervised learning (SSL). However, existing GANs in SSL have two problems: (1) the generator and the discriminator (i.e. the classifier) may not be optimal at the same time; and (2) the generator cannot control the semantics of the generated samples. The problems essentially arise from the two-player formulation, where a single discriminator shares incompatible roles of identifying fake samples and predicting labels and it only estimates the data without considering the labels. To address the problems, we present triple generative adversarial net (Triple-GAN), which consists of three players---a generator, a discriminator and a classifier. The generator and the classifier characterize the conditional distributions between images and labels, and the discriminator solely focuses on identifying fake image-label pairs. We design compatible utilities to ensure that the distributions characterized by the classifier and the generator both converge to the data distribution. Our results on various datasets demonstrate that Triple-GAN as a unified model can simultaneously (1) achieve the state-of-the-art classification results among deep generative models, and (2) disentangle the classes and styles of the input and transfer smoothly in the data space via interpolation in the latent space class-conditionally.

We present online Bayesian Passive-Aggressive (BayesPA) learning, a generic online learning framework for hierarchical Bayesian models with max-margin posterior regularization. We show that BayesPA subsumes the standard online Passive- Aggressive (PA) learning and extends naturally to incorporate latent variables for both parametric and nonparametric Bayesian inference, therefore providing great flexibility for explorative analysis. As an important example, we apply BayesPA to topic modeling and derive efficient online learning algorithms for max-margin topic models. We further develop nonparametric BayesPA topic models to infer the unknown number of topics in an online manner. Experimental results on 20newsgroups and a large Wikipedia multi-label dataset (with 1.1 millions of training documents and 0.9 million of unique terms in the vocabulary) show that our approaches significantly improve time efficiency while achieving comparable accuracy with the corresponding batch algorithms.

The papers in this special issue focus on biomedical Big Data. Biomedical imaging is an essential component in various fields of biomedical research and clinical practice. The study of biologists requires continuous monitoring of cell behavior under microscope. Neuroscientists detect regional metabolic brain activity from positron emission tomography (PET), functional magnetic resonance imaging (MRI), and magnetic resonance spectrum imaging (MRSI) scans. During these researching process, large amount of biomedical data will be produced for processing. The development of advanced imaging equipment and diverse applications also have driven the generation of biomedical big data. The main challenge and bottleneck for the related research is the conversion of “biomedical big data” into interpretable information and hence discoveries. Computer vision theory has a huge potential in many aspects for automated understanding of biomedical data and has been used successfully to speed up and improve applications such as large-scale cell image analysis (image preconditioning, cell segmentation and detection, cell tracking, and cell behavior identification), image reconstruction and registration, organ segmentation and disease classification. Considering the recent advance in machine learning technique, deep learning has revolutionized multiple fields of computer vision, significantly pushing the state of arts of computer vision systems in a broad array of high-level tasks. Hopefully these technique advance will help to deal problems in biomedical big data.

Deep convolutional neural networks (CNNs) have achieved breakthrough performance in many pattern recognition tasks such as image classification. However, the development of high-quality deep models typically relies on a substantial amount of trial-and-error, as there is still no clear understanding of when and why a deep model works. In this paper, we present a visual analytics approach for better understanding, diagnosing, and refining deep CNNs. We formulate a deep CNN as a directed acyclic graph. Based on this formulation, a hybrid visualization is developed to disclose the multiple facets of each neuron and the interactions between them. In particular, we introduce a hierarchical rectangle packing algorithm and a matrix reordering algorithm to show the derived features of a neuron cluster. We also propose a biclustering-based edge bundling method to reduce visual clutter caused by a large number of connections between neurons. We evaluated our method on a set of CNNs and the results are generally favorable.

Interactive model analysis, the process of understanding, diagnosing, and refining a machine learning model with the help of interactive visualization, is very important for users to efficiently solve real-world artificial intelligence and data mining problems. Dramatic advances in big data analytics have led to a wide variety of interactive model analysis tasks. In this paper, we present a comprehensive analysis and interpretation of this rapidly developing area. Specifically, we classify the relevant work into three categories: understanding, diagnosis, and refinement. Each category is exemplified by recent influential work. Possible future research opportunities are also explored and discussed.

We present a discriminative nonparametric latent feature relational model (LFRM) for link prediction to automatically infer the dimensionality of latent features. Under the generic RegBayes (regularized Bayesian inference) framework, we handily incorporate the prediction loss with probabilistic inference of a Bayesian model; set distinct regularization parameters for different types of links to handle the imbalance issue in real networks; and unify the analysis of both the smooth logistic log-loss and the piecewise linear hinge loss. For the nonconjugate posterior inference, we present a simple Gibbs sampler via data augmentation, without making restricting assumptions as done in variational methods. We further develop an approximate sampler using stochastic gradient Langevin dynamics to handle large networks with hundreds of thousands of entities and millions of links, orders of magnitude larger than what existing LFRM models can process. Extensive studies on various real networks show promising performance.

Modeling document structure is of great importance for discourse analysis and related applications. The goal of this research is to capture the document intent structure by modeling documents as a mixture of topic words and rhetorical words. While the topics are relatively unchanged through one document, the rhetorical functions of sentences usually change following certain orders in discourse. We propose GMM-LDA, a topic modeling based Bayesian unsupervised model, to analyze the document intent structure cooperated with order information. Our model is flexible that has the ability to combine the annotations and do supervised learning. Additionally, entropic regularization can be introduced to model the significant divergence between topics and intents. We perform experiments in both unsupervised and supervised settings, results show the superiority of our model over several state-of-the-art baselines.

Bayesian matrix completion has been studied based on a low-rank matrix factorization formulation with promising results. However, little work has been done on Bayesian matrix completion based on the more direct spectral regularization formulation. We fill this gap by presenting a novel Bayesian matrix completion method based on spectral regularization. In order to circumvent the difficulties of dealing with the orthonormality constraints of singular vectors, we derive a new equivalent form with relaxed constraints, which then leads us to design an adaptive version of spectral regularization feasible for Bayesian inference. Our Bayesian method requires no parameter tuning and can infer the number of latent factors automatically. Experiments on synthetic and real datasets demonstrate encouraging results on rank recovery and collaborative filtering, with notably good results for very sparse matrices.

Parsing human into semantic parts is crucial to human-centric analysis. In this paper, we propose a human parsing pipeline that uses pose cues, e.g., estimates of human joint locations, to provide pose-guided segment proposals for semantic parts. These segment proposals are ranked using standard appearance cues, deep-learned semantic feature, and a novel pose feature called pose-context. Then these proposals are selected and assembled using an And-Or graph to output a parse of the person. The And-Or graph is able to deal with large human appearance variability due to pose, choice of clothing, etc. We evaluate our approach on the popular Penn-Fudan pedestrian parsing dataset, showing that it significantly outperforms the state of the art, and perform diagnostics to demonstrate the effectiveness of different stages of our pipeline.

Word embedding maps words into a lowdimensional continuous embedding space by exploiting the local word collocation patterns in a small context window.On the other hand, topic modeling maps documents onto a low-dimensional topic space, by utilizing the global word collocation patterns in the same document.These two types of patterns are complementary.In this paper, we propose a generative topic embedding model to combine the two types of patterns.In our model, topics are represented by embedding vectors, and are shared across documents.The probability of each word is influenced by both its local context and its topic.A variational inference method yields the topic embeddings as well as the topic mixing proportions for each document.Jointly they represent the document in a low-dimensional continuous space.In two document classification tasks, our method performs better than eight existing methods, with fewer features.In addition, we illustrate with an example that our method can generate coherent topics even based on only one document.

Deep Random Walk (DeepWalk) can learn a latent space representation for describing the topological structure of a network.However, for relational network classification, DeepWalk can be suboptimal as it lacks a mechanism to optimize the objective of the target task.In this paper, we present Discriminative Deep Random Walk (DDRW), a novel method for relational network classification.By solving a joint optimization problem, DDRW can learn the latent space representations that well capture the topological structure and meanwhile are discriminative for the network classification task.Our experimental results on several real social networks demonstrate that DDRW significantly outperforms DeepWalk on multilabel network classification tasks, while retaining the topological structure in the latent space.DDRW is stable and consistently outperforms the baseline methods by various percentages of labeled data.DDRW is also an online method that is scalable and can be naturally parallelized.

Most of the sequence tagging tasks in natural language processing require to recognize segments with certain syntactic role or semantic meaning in a sentence.They are usually tackled with Conditional Random Fields (CRFs), which do indirect word-level modeling over word-level features and thus cannot make full use of segment-level information.Semi-Markov Conditional Random Fields (Semi-CRFs) model segments directly but extracting segment-level features for Semi-CRFs is still a very challenging problem.This paper presents Gated Recursive Semi-CRFs (grSemi-CRFs), which model segments directly and automatically learn segmentlevel features through a gated recursive convolutional neural network.Our experiments on text chunking and named entity recognition (NER) demonstrate that grSemi-CRFs generally outperform other neural models.

Memory units have been widely used to enrich the capabilities of deep networks on capturing long-term dependencies in reasoning and prediction tasks, but little investigation exists on deep generative models (DGMs) which are good at inferring high-level invariant representations from unlabeled data. This paper presents a deep generative model with a possibly large external memory and an attention mechanism to capture the local detail information that is often lost in the bottom-up abstraction process in representation learning. By adopting a smooth attention model, the whole network is trained end-to-end by optimizing a variational bound of data likelihood via auto-encoding variational Bayesian methods, where an asymmetric recognition network is learnt jointly to infer high-level invariant representations. The asymmetric architecture can reduce the competition between bottom-up invariant feature extraction and top-down generation of instance details. Our experiments on several datasets demonstrate that memory can significantly boost the performance of DGMs on various tasks, including density estimation, image generation, and missing value imputation, and DGMs with memory can achieve state-of-the-art quantitative results.

In learning latent variable models (LVMs), it is important to effectively capture infrequent patterns and shrink model size without sacrificing modeling power. Various studies have been done to “diversify” a LVM, which aim to learn a diverse set of latent components in LVMs. Most existing studies fall into a frequentist-style regularization framework, where the components are learned via point estimation. In this paper, we investigate how to “diversify” LVMs in the paradigm of Bayesian learning, which has advantages complementary to point estimation, such as alleviating overfitting via model averaging and quantifying uncertainty. We propose two approaches that have complementary advantages. One is to define diversity-promoting mutual angular priors which assign larger density to components with larger mutual angles based on Bayesian network and von Mises-Fisher distribution and use these priors to affect the posterior via Bayes rule. We develop two efficient approximate posterior inference algorithms based on variational inference and Markov chain Monte Carlo sampling. The other approach is to impose diversity-promoting regularization directly over the post-data distribution of components. These two methods are applied to the Bayesian mixture of experts model to encourage the “experts” to be diverse and experimental results demonstrate the effectiveness and efficiency of our methods.

Learning large-scale Latent Dirichlet Allocation (LDA) models is beneficial for many applications that involve large collections of documents.Recent work has been focusing on developing distributed algorithms in the batch setting, while leaving stochastic methods behind, which can effectively explore statistical redundancy in big data and thereby are complementary to distributed computing.The distributed stochastic gradient Langevin dynamics (DSGLD) represents one attempt to combine stochastic sampling and distributed computing, but it suffers from drawbacks such as excessive communications and sensitivity to partitioning of datasets across nodes. DSGLD is typically limited to learn small models that have about 103 topics and $10^3$ vocabulary size.

We propose two stochastic gradient MCMC methods for sampling from Bayesian posterior distributions defined on Riemann manifolds with a known geodesic flow, e.g. hyperspheres. Our methods are the first scalable sampling methods on these manifolds, with the aid of stochastic gradients. Novel dynamics are conceived and 2nd-order integrators are developed. By adopting embedding techniques and the geodesic integrator, the methods do not require a global coordinate system of the manifold and do not involve inner iterations. Synthetic experiments show the validity of the method, and its application to the challenging inference for spherical topic models indicate practical usability and efficiency.

Maximum mean discrepancy (MMD) has been successfully applied to learn deep generative models for characterizing a joint distribution of variables via kernel mean embedding. In this paper, we present conditional generative moment-matching networks (CGMMN), which learn a conditional distribution given some input variables based on a conditional maximum mean discrepancy (CMMD) criterion. The learning is performed by stochastic gradient descent with the gradient calculated by back-propagation. We evaluate CGMMN on a wide range of tasks, including predictive modeling, contextual generation, and Bayesian dark knowledge, which distills knowledge from a Bayesian model by learning a relatively small CGMMN student network. Our results demonstrate competitive performance in all the tasks.

We propose a vector-valued regression problem whose solution is equivalent to the reproducing kernel Hilbert space (RKHS) embedding of the Bayesian posterior distribution. This equivalence provides a new understanding of kernel Bayesian inference. Moreover, the optimization problem induces a new regularization for the posterior embedding estimator, which is faster and has comparable performance to the squared regularization in kernel Bayes' rule. This regularization coincides with a former thresholding approach used in kernel POMDPs whose consistency remains to be established. Our theoretical work solves this open problem and provides consistency analysis in regression settings. Based on our optimizational formulation, we propose a flexible Bayesian posterior regularization framework which for the first time enables us to put regularization at the distribution level. We apply this method to nonparametric state-space filtering tasks with extremely nonlinear dynamics and show performance gains over all other baselines.

Dynamic topic models (DTMs) are very effective in discovering topics and capturing their evolution trends in time series data. To do posterior inference of DTMs, existing methods are all batch algorithms that scan the full dataset before each update of the model and make inexact variational approximations with mean-field assumptions. Due to a lack of a more scalable inference algorithm, despite the usefulness, DTMs have not captured large topic dynamics. This paper fills this research void, and presents a fast and parallelizable inference algorithm using Gibbs Sampling with Stochastic Gradient Langevin Dynamics that does not make any unwarranted assumptions. We also present a Metropolis-Hastings based $O(1)$ sampler for topic assignments for each word token. In a distributed environment, our algorithm requires very little communication between workers during sampling (almost embarrassingly parallel) and scales up to large-scale applications. We are able to learn the largest Dynamic Topic Model to our knowledge, and learned the dynamics of 1,000 topics from 2.6 million documents in less than half an hour, and our empirical results show that our algorithm is not only orders of magnitude faster than the baselines but also achieves lower perplexity.

Developing efficient and scalable algorithms for Latent Dirichlet Allocation (LDA) is of wide interest for many applications. Previous work has developed an O (1) Metropolis-Hastings (MH) sampling method for each token. However, its performance is far from being optimal due to frequent cache misses caused by random accesses to the parameter matrices. In this paper, we first carefully analyze the memory access behavior of existing algorithms for LDA by cache locality at document level. We then develop WarpLDA, which achieves O (1) time complexity per-token and fits the randomly accessed memory perdocument in the L3 cache. Our empirical results in a wide range of testing conditions demonstrate that WarpLDA is consistently 5-15x faster than the state-of-the-art MH-based LightLDA, and is faster than the state-of-the-art sparsity aware F+LDA in most settings. Our WarpLDA learns a million topics from 639 millions of documents in only five hours at an unprecedented throughput of 11 billion tokens per second.

Automatic cell segmentation can hardly be flawless due to the complexity of image data particularly when time-lapse experiments last for a long time without biomarkers. To address this issue, we propose an interactive cell segmentation method by classifying feature-homogeneous superpixels into specific classes, which is guided by human interventions. Specifically, we propose to actively select the most informative superpixels by minimizing the expected prediction error which is upper bounded by the transductive Rademacher complexity, and then query for human annotations. After propagating the user-specified labels to the remaining unlabeled superpixels via an affinity graph, the error-prone superpixels are selected automatically and request for human verification on them; once erroneous segmentation is detected and subsequently corrected, the information is propagated efficiently over a gradually-augmented graph to un-labeled superpixels such that the analogous errors are fixed meanwhile. The correction propagation step is efficiently conducted by introducing a verification propagation matrix rather than rebuilding the affinity graph and re-performing the label propagation from the beginning. We repeat this procedure until most superpixels are classified into a specific category with high confidence. Experimental results performed on three types of cell populations validate that our interactive cell segmentation algorithm quickly reaches high quality results with minimal human interventions and is significantly more efficient than alternative methods, since the most informative samples are selected for human annotation/verification early.

This paper presents a visual analytics approach to analyzing a full picture of relevant topics discussed in multiple sources, such as news, blogs, or micro-blogs. The full picture consists of a number of common topics covered by multiple sources, as well as distinctive topics from each source. Our approach models each textual corpus as a topic graph. These graphs are then matched using a consistent graph matching method. Next, we develop a level-of-detail (LOD) visualization that balances both readability and stability. Accordingly, the resulting visualization enhances the ability of users to understand and analyze the matched graph from multiple perspectives. By incorporating metric learning and feature selection into the graph matching algorithm, we allow users to interactively modify the graph matching result based on their information needs. We have applied our approach to various types of data, including news articles, tweets, and blog data. Quantitative evaluation and real-world case studies demonstrate the promise of our approach, especially in support of examining a topic-graph-based full picture at different levels of detail.

Most existing word embedding methods can be categorized into Neural Embedding Models and Matrix Factorization (MF)based methods.However some models are opaque to probabilistic interpretation, and MF-based methods, typically solved using Singular Value Decomposition (SVD), may incur loss of corpus information.In addition, it is desirable to incorporate global latent factors, such as topics, sentiments or writing styles, into the word embedding model.Since generative models provide a principled way to incorporate latent factors, we propose a generative word embedding model, which is easy to interpret, and can serve as a basis of more sophisticated latent factor models.The model inference reduces to a low rank weighted positive semidefinite approximation problem.Its optimization is approached by eigendecomposition on a submatrix, followed by online blockwise regression, which is scalable and avoids the information loss in SVD.In experiments on 7 common benchmark datasets, our vectors are competitive to word2vec, and better than other MF-based methods.

Subspace clustering separates data points approximately lying on union of affine subspaces into several clusters. This paper presents a novel nonparametric Bayesian subspace clustering model that infers both the number of subspaces and the dimension of each subspace from the observed data. Though the posterior inference is hard, our model leads to a very efficient deterministic algorithm, DP-space, which retains the nonparametric ability under a small-variance asymptotic analysis. DP-space monotonically minimizes an intuitive objective with an explicit tradeoff between data fitness and model complexity. Experimental results demonstrate that DP-space outperforms various competitors in terms of clustering accuracy and at the same time it is highly efficient.

Recent interest in music information retrieval and related technologies is exploding. However, very few of the existing techniques take advantage of the recent advancements in neural networks. The challenges of developing effective browsing, searching and organization techniques for the growing bodies of music collections call for more powerful statistical models. In this paper, we present LSTM-RTRBM, a new neural network model for the problem of creating accurate yet flexible models of polyphonic music. Our model integrates the ability of Long Short-Term Memory (LSTM) in memorizing and retrieving useful history information, together with the advantage of Restricted Boltzmann Machine (RBM) in high dimensional data modelling. Our approach greatly improves the performance of polyphonic music sequence modelling, achieving the state-of-the-art results on multiple datasets.

Deep generative models (DGMs) are effective on learning multilayered representations of complex data and performing inference of input data by exploring the generative ability. However, little work has been done on examining or empowering the discriminative ability of DGMs on making accurate predictions. This paper presents max-margin deep generative models (mmDGMs), which explore the strongly discriminative principle of max-margin learning to improve the discriminative power of DGMs, while retaining the generative capability. We develop an efficient doubly stochastic subgradient algorithm for the piecewise linear objective. Empirical results on MNIST and SVHN datasets demonstrate that (1) max-margin learning can significantly improve the prediction performance of DGMs and meanwhile retain the generative ability; and (2) mmDGMs are competitive to the state-of-the-art fully discriminative networks by employing deep convolutional neural networks (CNNs) as both recognition and generative models.

Learning-from-crowds aims to design proper aggregation strategies to infer the unknown true labels from the noisy labels provided by ordinary web workers. This paper presents max-margin majority voting (M^3V) to improve the discriminative ability of majority voting and further presents a Bayesian generalization to incorporate the flexibility of generative methods on modeling noisy observations with worker confusion matrices. We formulate the joint learning as a regularized Bayesian inference problem, where the posterior regularization is derived by maximizing the margin between the aggregated score of a potential true label and that of any alternative label. Our Bayesian model naturally covers the Dawid-Skene estimator and M^3V. Empirical results demonstrate that our methods are competitive, often achieving better results than state-of-the-art estimators.

The rise of crowdsourcing brings new types of malpractices in Internet advertising. One can easily hire web workers through malicious crowdsourcing platforms to attack other advertisers. Such human generated crowd frauds are hard to detect by conventional fraud detection methods. In this paper, we carefully examine the characteristics of the group behaviors of crowd fraud and identify three persistent patterns, which are moderateness, synchronicity and dispersivity. Then we propose an effective crowd fraud detection method for search engine advertising based on these patterns, which consists of a constructing stage, a clustering stage and a filtering stage. At the constructing stage, we remove irrelevant data and reorganize the click logs into a surfer-advertiser inverted list; At the clustering stage, we define the sync-similarity between surfers' click histories and transform the coalition detection to a clustering problem, solved by a nonparametric algorithm; and finally we build a dispersity filter to remove false alarm clusters. The nonparametric nature of our method ensures that we can find an unbounded number of coalitions with nearly no human interaction. We also provide a parallel solution to make the method scalable to Web data and conduct extensive experiments. The empirical results demonstrate that our method is accurate and scalable.

Relational topic models (RTMs) provide a probabilistic generative process to describe both the link structure and document contents for document networks, and they have shown promise on predicting network structures and discovering latent topic representations. However, existing RTMs have limitations in both the restricted model expressiveness and incapability of dealing with imbalanced network data. To expand the scope and improve the inference accuracy of RTMs, this paper presents three extensions: 1) unlike the common link likelihood with a diagonal weight matrix that allows the-same-topic interactions only, we generalize it to use a full weight matrix that captures all pairwise topic interactions and is applicable to asymmetric networks; 2) instead of doing standard Bayesian inference, we perform regularized Bayesian inference (RegBayes) with a regularization parameter to deal with the imbalanced link structure issue in real networks and improve the discriminative ability of learned latent representations; and 3) instead of doing variational approximation with strict mean-field assumptions, we present collapsed Gibbs sampling algorithms for the generalized relational topic models by exploring data augmentation without making restricting assumptions. Under the generic RegBayes framework, we carefully investigate two popular discriminative loss functions, namely, the logistic log-loss and the max-margin hinge loss. Experimental results on several real network datasets demonstrate the significance of these extensions on improving prediction performance.

Dropout and other feature noising schemes have shown promising results in controlling over-fitting by artificially corrupting the training data. Though extensive theoretical and empirical studies have been performed for generalized linear models, little work has been done for support vector machines (SVMs), one of the most successful approaches for supervised learning. This paper presents dropout training for linear SVMs. To deal with the intractable expectation of the non-smooth hinge loss under corrupting distributions, we develop an iteratively re-weighted least square (IRLS) algorithm by exploring data augmentation techniques. Our algorithm iteratively minimizes the expectation of a re-weighted least square problem, where the re-weights have closed-form solutions. The similar ideas are applied to develop a new IRLS algorithm for the expected logistic loss under corrupting distributions. Our algorithms offer insights on the connection and difference between the hinge loss and logistic loss in dropout training. Empirical results on several real datasets demonstrate the effectiveness of dropout training on significantly boosting the classification accuracy of linear SVMs.

Infinite SVM (iSVM) is a Dirichlet process (DP) mixture of large-margin classifiers. Though flexible in learning nonlinear classifiers and discovering latent clustering structures, iSVM has a difficult inference task and existing methods could hinder its applicability to large-scale problems. This paper presents a small-variance asymptotic analysis to derive a simple and efficient algorithm, which monotonically optimizes a max-margin DP-means (M2DPM) problem, an extension of DP-means for both predictive learning and descriptive clustering. Our analysis is built on Gibbs infinite SVMs, an alternative DP mixture of large-margin machines, which admits a partially collapsed Gibbs sampler without truncation by exploring data augmentation techniques. Experimental results show that M2DPM runs much faster than similar algorithms without sacrificing prediction accuracies.

Both max-margin and Bayesian methods have been extensively studied in multi-task learning, but have rarely been considered together. We present Bayesian max-margin multi-task learning, which conjoins the two schools of methods, thus allowing the discriminative max-margin methods to enjoy the great flexibility of Bayesian methods on incorporating rich prior information as well as performing nonparametric Bayesian feature learning with the latent dimensionality resolved from data. We develop Gibbs sampling algorithms by exploring data augmentation to deal with the non-smooth hinge loss. For nonparametric models, our algorithms do not need to make mean-field assumptions or truncated approximation. Empirical results demonstrate superior performance than competitors in both multi-task classification and regression.

Much research in Bayesian modeling has been done to elicit a prior distribution that incorporates domain knowledge. We present a novel and more direct approach by imposing First-Order Logic (FOL) rules on the posterior distribution. Our approach unifies FOL and Bayesian modeling under the regularized Bayesian framework. In addition, our approach automatically estimates the uncertainty of FOL rules when they are produced by humans, so that reliable rules are incorporated while unreliable ones are ignored. We apply our approach to latent topic modeling tasks and demonstrate that by combining FOL knowledge and Bayesian modeling, we both improve the task performance and discover more structured latent representations in unsupervised and supervised learning.

Online Passive-Aggressive (PA) learning is an effective framework for performing max-margin online learning. But the deterministic formulation and estimated single large-margin model could limit its capability in discovering descriptive structures underlying complex data. This paper presents online Bayesian Passive-Aggressive (BayesPA) learning, which subsumes the online PA and extends naturally to incorporate latent variables and perform nonparametric Bayesian inference, thus providing great flexibility for explorative analysis. We apply BayesPA to topic modeling and derive efficient online learning algorithms for max-margin topic models. We further develop nonparametric methods to resolve the number of topics. Experimental results on real datasets show that our approaches significantly improve time efficiency while maintaining comparable results with the batch counterparts.

Infinite hidden Markov models (iHMMs) are nonparametric Bayesian extensions of hidden Markov models (HMMs) with an infinite number of states. Though flexible in describing sequential data, the generative formulation of iHMMs could limit their discriminative ability in sequential prediction tasks. Our paper introduces max-margin infinite HMMs (M2iHMMs), new infinite HMMs that explore the max-margin principle for discriminative learning. By using the theory of Gibbs classifiers and data augmentation, we develop efficient beam sampling algorithms without making restricting mean-field assumptions or truncated approximation. For single variate classification, M2iHMMs reduce to a new formulation of DP mixtures of max-margin machines. Empirical results on synthetic and real data sets show that our methods obtain superior performance than other competitors in both single variate classification and sequential prediction tasks.

Link prediction is a fundamental task in statistical analysis of network data. Though much research has concentrated on predicting entity-entity relationships in homogeneous networks, it has attracted increasing attentions to predict relationships in heterogeneous networks, which consist of multiple types of nodes and relational links. Existing work on heterogeneous network link prediction mainly focuses on using input features that are explicitly extracted by humans. This paper presents an approach to automatically learn latent features from partially observed heterogeneous networks, with a particular focus on entity-attribute networks (EANs), and making predictions for unseen pairs. To make the latent features discriminative, we adopt the max-margin idea under the framework of maximum entropy discrimination (MED). Our maximum entropy discrimination joint relational model (MED-JRM) can jointly predict entity-entity relationships as well as the missing attributes of entities in EANs. Experimental results on several real networks demonstrate that our model has improved performance over state-of-the-art homogeneous and heterogeneous network link prediction algorithms.

Learning with multi-modal data is at the core of many multimedia applications, such as cross-modal retrieval and image annotation. In this paper, we present a nonparametric Bayesian approach to learning upstream supervised topic models for analyzing multi-modal data. Our model develops a compound nonparametric Bayesian multi-modal prior to describe the correlation structure of data both within each individual modality and between different modalities. It extends the hierarchical Dirichlet process (HDP) through incorporating upstream supervised response variables and values of latent functions under Gaussian process (GP). Upstream responses shared by data from multiple modalities are beneficial for discriminatively training and GP allows flexible structure learning of correlations. Hence, our model inherits the automatic determination of the number of topics from HDP, structure learning from GP and enhanced predictive capacity from upstream supervision. We also provide efficient variational inference and prediction algorithms. Empirical studies demonstrate superior performances on several benchmark datasets compared with previous competitors.

Undirected latent variable models represent an important class of graphical models that have been successfully developed to deal with various tasks. One common challenge in learning such models is to determine the number of hidden units that are unknown a priori. Although Bayesian nonparametrics have provided promising results in bypassing the model selection problem in learning directed Bayesian Networks, very little effort has been made toward applying Bayesian nonparametrics to learn undirected latent variable models. In this paper, we present the infinite exponential family Harmonium (iEFH), a bipartite undirected latent variable model that automatically determines the number of latent units from an unbounded pool. We also present two important extensions of iEFH to 1) multiview iEFH for dealing with heterogeneous data, and 2) infinite maximum-margin Harmonium (iMMH) for incorporating supervising side information to learn predictive latent features. We develop variational inference algorithms to learn model parameters. Our methods are computationally competitive because of the avoidance of selecting the number of latent units. Our extensive experiments on real image datasets and text datasets appear to demonstrate the benefits of iEFH and iMMH inherited from Bayesian nonparametrics and max-margin learning. Such results were not available until now and contribute to expanding the scope of Bayesian nonparametrics to learn the structures of undirected latent variable models.

Existing max-margin matrix factorization (M3F) methods either are computationally inefficient or need a model selection procedure to determine the number of latent factors. In this paper we present a probabilistic M3F model that admits a highly efficient Gibbs sampling algorithm through data augmentation. We further extend our approach to incorporate Bayesian nonparametrics and build accordingly a truncation-free nonparametric M3F model where the number of latent factors is literally unbounded and inferred from data. Empirical studies on two large real-world data sets verify the efficacy of our proposed methods.

Existing max-margin supervised topic models rely on an iterative procedure to solve multiple latent SVM subproblems with additional mean-field assumptions on the desired posterior distributions. This paper presents Gibbs max-margin supervised topic models by minimizing an expected margin loss, an upper bound of the existing margin loss derived from an expected prediction rule. By introducing augmented variables, we develop simple and fast Gibbs sampling algorithms with no restricting assumptions and no need to solve SVM subproblems for both classification and regression. Empirical results demonstrate significant improvements on time efficiency. The classification performance is also significantly improved over competitors.

Topic models have played a pivotal role in analyzing large collections of complex data. Besides discovering latent semantics, supervised topic models (STMs) can make predictions on unseen test data. By marrying with advanced learning techniques, the predictive strengths of STMs have been dramatically enhanced, such as max-margin supervised topic models, state-of-the-art methods that integrate max-margin learning with topic models. Though powerful, max-margin STMs have a hard non-smooth learning problem. Existing algorithms rely on solving multiple latent SVM subproblems in an EM-type procedure, which can be too slow to be applicable to large-scale categorization tasks.

Logistic-normal topic models can effectively discover correlation structures among latent topics. However, their inference remains a challenge because of the non-conjugacy between the logistic-normal prior and multinomial topic mixing proportions. Existing algorithms either make restricting mean-field assumptions or are not scalable to large-scale applications. This paper presents a partially collapsed Gibbs sampling algorithm that approaches the provably correct distribution by exploring the ideas of data augmentation. To improve time efficiency, we further present a parallel implementation that can deal with large-scale applications and learn the correlation structures of thousands of topics from millions of documents. Extensive empirical results demonstrate the promise.

Topic models have shown great promise in discovering latent semantic structures from complex data corpora, ranging from text documents and web news articles to images, videos, and even biological data. In order to deal with massive data collections and dynamic text streams, probabilistic online topic models such as online latent Dirichlet allocation (OLDA) have recently been developed. However, due to normalization constraints, OLDA can be ineffective in controlling the sparsity of discovered representations, a desirable property for learning interpretable semantic patterns, especially when the total number of topics is large. In contrast, sparse topical coding (STC) has been successfully introduced as a non-probabilistic topic model for effectively discovering sparse latent patterns by using sparsity-inducing regularization. But, unfortunately STC cannot scale to very large datasets or deal with online text streams, partly due to its batch learning procedure. In this paper, we present a sparse online topic model, which directly controls the sparsity of latent semantic patterns by imposing sparsity-inducing regularization and learns the topical dictionary by an online algorithm. The online algorithm is efficient and guaranteed to converge. Extensive empirical results of the sparse online topic model as well as its collapsed and supervised extensions on a large-scale Wikipedia dataset and the medium-sized 20Newsgroups dataset demonstrate appealing performance.

Compared with general videos, movies and TV shows attract a significantly larger portion of people across time and contain very rich and interesting narrative patterns of shots and scenes. In this paper, we aim to recover the inherent structure of scenes and shots in such video narratives. The obtained structure could be useful for subsequent video analysis tasks such as tracking objects across cuts, action retrieval, as well as enriching user browsing and video editing interfaces. Recent research on this problem has mainly focused on combining multiple cues such as scripts, subtitles, sound, or human faces. However, considering that visual information is sufficient for human to identify scene boundaries and some cues are not always available, we are motivated to design a purely visual approach. Observing that dialog patterns occur frequently in a movie/TV show to form a scene, we propose a probabilistic framework to imitate the authoring process. The multi-thread shot model and contextual visual dynamics are embedded into a unified framework to capture the video hierarchy. We devise an efficient algorithm to jointly learn the parameters of the unified model. Experiments on two large datasets containing six movies and 24 episodes of Lost, a popular TV show with complex plot structures, are conducted. Comparative results show that, leveraging only visual cues, our method could successfully recover complicated shot threads and outperform several approaches. Moreover, our method is fast and advantageous for large-scale computation.

Crowdsourcing has recently become popular among machine learning researchers and social scientists as an effective way to collect large-scale experimental data from distributed workers. To extract useful information from the cheap but potentially unreliable answers to tasks, a key problem is to identify reliable workers as well as unambiguous tasks. Although for objective tasks that have one correct answer per task, previous works can estimate worker reliability and task clarity based on the single gold standard assumption, for tasks that are subjective and accept multiple reasonable answers that workers may be grouped into, a phenomenon called schools of thought, existing models cannot be trivially applied. In this work, we present a statistical model to estimate worker reliability and task clarity without resorting to the single gold standard assumption. This is instantiated by explicitly characterizing the grouping behavior to form schools of thought with a rank-1 factorization of a worker-task groupsize matrix. Instead of performing an intermediate inference step, which can be expensive and unstable, we present an algorithm to analytically compute the sizes of different groups. We perform extensive empirical studies on real data collected from Amazon Mechanical Turk. Our method discovers the schools of thought, shows reasonable estimation of worker reliability and task clarity, and is robust to hyperparameter changes. Furthermore, our estimated worker reliability can be used to improve the gold standard prediction for objective tasks.

An effective strategy to exploit the supervising side information for discovering predictive topic representations is to impose discriminative constraints induced by such information on the posterior distributions under a topic model. This strategy has been adopted by a number of supervised topic models, such as MedLDA, which employs max-margin posterior constraints. However, unlike the likelihood-based supervised topic models, of which posterior inference can be carried out using the Bayes' rule, the max-margin posterior constraints have made Monte Carlo methods infeasible or at least not directly applicable, thereby limited the choice of inference algorithms to be based on variational approximation with strict mean field assumptions. In this paper, we develop two efficient Monte Carlo methods under much weaker assumptions for max-margin supervised topic models based on an importance sampler and a collapsed Gibbs sampler, respectively, in a convex dual formulation. We report thorough experimental results that compare our approach favorably against existing alternatives in both accuracy and efficiency.

We present a probabilistic formulation of max-margin matrix factorization and build accordingly a nonparametric Bayesian model which automatically resolves the unknown number of latent factors. Our work demonstrates a successful example that integrates Bayesian nonparametrics and max-margin learning, which are conventionally two separate paradigms and enjoy complementary advantages. We develop an efcient variational algorithm for posterior inference, and our extensive empirical studies on large-scale MovieLens and EachMovie data sets appear to justify the aforementioned dual advantages.

Learning salient representations of multiview data is an essential step in many applications such as image classification, retrieval, and annotation. Standard predictive methods, such as support vector machines, often directly use all the features available without taking into consideration the presence of distinct views and the resultant view dependencies, coherence, and complementarity that offer key insights to the semantics of the data, and are therefore offering weak performance and are incapable of supporting view-level analysis. This paper presents a statistical method to learn a predictive subspace representation underlying multiple views, leveraging both multiview dependencies and availability of supervising side-information. Our approach is based on a multiview latent subspace Markov network (MN) which fulfills a weak conditional independence assumption that multiview observations and response variables are conditionally independent given a set of latent variables. To learn the latent subspace MN, we develop a large-margin approach which jointly maximizes data likelihood and minimizes a prediction loss on training data. Learning and inference are efficiently done with a contrastive divergence method. Finally, we extensively evaluate the large-margin latent MN on real image and hotel review datasets for classification, regression, image annotation, and retrieval. Our results demonstrate that the large-margin approach can achieve significant improvements in terms of prediction performance and discovering predictive latent subspace representations.

Probabilistic topic models have shown remarkable success in many application domains. However, a probabilistic conditional topic model can be extremely inefficient when considering a rich set of features because it needs to define a normalized distribution, which usually involves a hard-to-compute partition function. This paper presents conditional topical coding (CTC), a novel formulation of conditional topic models which is non-probabilistic. CTC relaxes the normalization constraints as in probabilistic models and learns non-negative document codes and word codes. CTC does not need to define a normalized distribution and can efficiently incorporate a rich set of features for improved topic discovery and prediction tasks. Moreover, CTC can directly control the sparsity of inferred representations by using appropriate regularization. We develop an efficient and easy-to-implement coordinate descent learning algorithm, of which each coding substep has a closed-form solution. Finally, we demonstrate the advantages of CTC on online review analysis datasets. Our results show that conditional topical coding can achieve state-of-the-art prediction performance and is much more efficient in training (one order of magnitude faster) and testing (two orders of magnitude faster) than probabilistic conditional topic models.

Unlike existing nonparametric Bayesian models, which rely solely on specially conceived priors to incorporate domain knowledge for discovering improved latent representations, we study nonparametric Bayesian inference with regularization on the desired posterior distributions. While priors can indirectly affect posterior distributions through Bayes' theorem, imposing posterior regularization is arguably more direct and in some cases can be much easier. We particularly focus on developing infinite latent support vector machines (iLSVM) and multi-task infinite latent support vector machines (MT-iLSVM), which explore the large-margin idea in combination with a nonparametric Bayesian model for discovering predictive latent features for classification and multi-task learning, respectively. We present efficient inference methods and report empirical studies on several benchmark datasets. Our results appear to demonstrate the merits inherited from both large-margin learning and Bayesian nonparametrics.

Feature selection is an important task in order to achieve better generalizability in high dimensional learning, and structure learning of Markov random fields (MRFs) can automatically discover the inherent structures underlying complex data. Both problems can be cast as solving an l1-norm regularized parameter estimation problem. The existing Grafting method can avoid doing inference on dense graphs in structure learning by incrementally selecting new features. However, Grafting performs a greedy step to optimize over free parameters once new features are included. This greedy strategy results in low efficiency when parameter learning is itself non-trivial, such as in MRFs, in which parameter learning depends on an expensive subroutine to calculate gradients. The complexity of calculating gradients in MRFs is typically exponential to the size of maximal cliques.

Learning from multi-view data is important in many applications, such as image classification and annotation. In this paper, we present a large-margin learning framework to discover a predictive latent subspace representation shared by multiple views. Our approach is based on an undirected latent space Markov network that fulfills a weak conditional independence assumption that multi-view observations and response variables are independent given a set of latent variables. We provide efficient inference and parameter estimation methods for the latent subspace model. Finally, we demonstrate the advantages of large-margin learning on real video and web image data for discovering predictive latent representations and improving the performance on image classification, annotation and retrieval.

Markov networks (MNs) can incorporate arbitrarily complex features in modeling relational data. However, this flexibility comes at a sharp price of training an exponentially complex model. To address this challenge, we propose a novel relational learning approach, which consists of a restricted class of relational MNs (RMNs) called relation tree-based RMN (treeRMN), and an efficient Hidden Variable Detection algorithm called Contrastive Variable Induction (CVI). On one hand, the restricted treeRMN only considers simple (e.g., unary and pairwise) features in relational data and thus achieves computational efficiency; and on the other hand, the CVI algorithm efficiently detects hidden variables which can capture long range dependencies. Therefore, the resultant approach is highly efficient yet does not sacrifice its expressive power. Empirical results on four real datasets show that the proposed relational learning method can achieve similar prediction quality as the state-of-the-art approaches, but is significantly more efficient in training; and the induced hidden variables are semantically meaningful and crucial to improve the training speed and prediction qualities of treeRMNs.

To understand the relationship between genomic variations among population and complex diseases, it is essential to detect eQTLs which are associated with phenotypic effects. However, detecting eQTLs remains a challenge due to complex underlying mechanisms and the very large number of genetic loci involved compared to the number of samples. Thus, to address the problem, it is desirable to take advantage of the structure of the data and prior information about genomic locations such as conservation scores and transcription factor binding sites. In this paper, we propose a novel regularized regression approach for detecting eQTLs which takes into account related traits simultaneously while incorporating many regulatory features. We first present a Bayesian network for a multi-task learning problem that includes priors on SNPs, making it possible to estimate the significance of each covariate adaptively. Then we find the maximum a posteriori (MAP) estimation of regression coefficients and estimate weights of covariates jointly. This optimization procedure is efficient since it can be achieved by using convex optimization and a coordinate descent procedure iteratively. Experimental results on simulated and real yeast datasets confirm that our model outperforms previous methods for finding eQTLs.

Upstream supervised topic models have been widely used for complicated scene understanding. However, existing maximum likelihood estimation (MLE) schemes can make the prediction model learning independent of latent topic discovery and result in an imbalanced prediction rule for scene classification. This paper presents a joint max-margin and max-likelihood learning method for upstream scene understanding models, in which latent topic discovery and prediction model estimation are closely coupled and well-balanced. The optimization problem is efficiently solved with a variational EM procedure, which iteratively solves an online loss-augmented SVM. We demonstrate the advantages of the large-margin approach on both an 8-category sports dataset and the 67-class MIT indoor scene dataset for scene categorization.

Supervised topic models utilize document's side information for discovering predictive low dimensional representations of documents; and existing models apply likelihood-based estimation. In this paper, we present a max-margin supervised topic model for both continuous and categorical response variables. Our approach, the maximum entropy discrimination latent Dirichlet allocation (MedLDA), utilizes the max-margin principle to train supervised topic models and estimate predictive topic representations that are arguably more suitable for prediction. We develop efficient variational methods for posterior inference and demonstrate qualitatively and quantitatively the advantages of MedLDA over likelihood-based topic models on movie review and 20 Newsgroups data sets.

Sparsity is a desirable property in high dimensional learning. The l1-norm regularization can lead to primal sparsity, while max-margin methods achieve dual sparsity. Combining these two methods, an l1-norm max-margin Markov network (l1-M3N) can achieve both types of sparsity. This paper analyzes its connections to the Laplace max-margin Markov network (LapM3N), which inherits the dual sparsity of max-margin models but is pseudo-primal sparse, and to a novel adaptive M3N (AdapM3N). We show that the l1-M3N is an extreme case of the LapM3N, and the l1-M3N is equivalent to an AdapM3N. Based on this equivalence we develop a robust EM-style algorithm for learning an l1-M3N. We demonstrate the advantages of the simultaneously (pseudo-) primal and dual sparse models over the ones which enjoy either primal or dual sparsity on both synthetic and real data sets.

Online forums represent one type of social media that is particularly rich for studying human behavior in information seeking and diffusing. The way users join communities is a reflection of the changing and expanding of their interests toward information. In this paper, we study the patterns of user participation behavior, and the feature factors that influence such behavior on different forum datasets. We find that, despite the relative randomness and lesser commitment of structural relationships in online forums, users’ community joining behaviors display some strong regularities. One particularly interesting observation is that the very weak relationships between users defined by online replies have similar diffusion curves as those of real friendships or co-authorships. We build social selection models, Bipartite Markov Random Field (BiMRF), to quantitatively evaluate the prediction performance of those feature factors and their relationships. Using these models, we show that some features carry supplementary information, and the effectiveness of different features vary in different types of forums. Moreover, the results of BiMRF with two-star configurations suggest that the feature of user similarity defined by frequency of communication or number of common friends is inadequate to predict grouping behavior, but adding node-level features can improve the fit of the model.

Max-margin Markov networks (M3N) have shown great promise in structured prediction and relational learning. Due to the KKT conditions, the M3N enjoys dual sparsity. However, the existing M3N formulation does not enjoy primal sparsity, which is a desirable property for selecting significant features and reducing the risk of over-fitting. In this paper, we present an l1-norm regularized max-margin Markov network (l1-M3N), which enjoys dual and primal sparsity simultaneously. To learn an l1-M3N, we present three methods including projected sub-gradient, cutting-plane, and a novel EM-style algorithm, which is based on an equivalence between l1-M3N and an adaptive M3N. We perform extensive empirical studies on both synthetic and real data sets. Our experimental results show that: (1) l1-M3N can effectively select significant features; (2) l1-M3N can perform as well as the pseudo-primal sparse Laplace M3N in prediction accuracy, while consistently outperforms other competing methods that enjoy either primal or dual sparsity; and (3) the EM-algorithm is more robust than the other two in pre-diction accuracy and time efficiency.

Web forums have become an important data resource for many web applications, but extracting structured data from unstructured web forum pages is still a challenging task due to both complex page layout designs and unrestricted user created posts. In this paper, we study the problem of structured data extraction from various web forum sites. Our target is to find a solution as general as possible to extract structured data, such as post title, post author, post time, and post content from any forum site. In contrast to most existing information extraction methods, which only leverage the knowledge inside an individual page, we incorporate both page-level and site-level knowledge and employ Markov logic networks (MLNs) to effectively integrate all useful evidence by learning their importance automatically. Site-level knowledge includes (1) the linkages among different object pages, such as list pages and post pages, and (2) the interrelationships of pages belonging to the same object. The experimental results on 20 forums show a very encouraging information extraction performance, and demonstrate the ability of the proposed approach on various forums. We also show that the performance is limited if only page-level knowledge is used, while when incorporating the site-level knowledge both precision and recall can be significantly improved.

Traditional relation extraction methods require pre-specified relations and relation-specific human-tagged examples. Bootstrapping systems significantly reduce the number of training examples, but they usually apply heuristic-based methods to combine a set of strict hard rules, which limit the ability to generalize and thus generate a low recall. Furthermore, existing bootstrapping methods do not perform open information extraction (Open IE), which can identify various types of relations without requiring pre-specifications. In this paper, we propose a statistical extraction framework called Statistical Snowball (StatSnowball), which is a bootstrapping system and can perform both traditional relation extraction and Open IE.

We propose Laplace max-margin Markov networks (LapM3N), and a general class of Bayesian M3N (BM3N) of which the LapM3N is a special case with sparse structural bias, for robust structured prediction. BM3N generalizes extant structured prediction rules based on point estimator to a Bayes-predictor using a learnt distribution of rules. We present a novel Structured Maximum Entropy Discrimination (SMED) formalism for combining Bayesian and max-margin learning of Markov networks for structured prediction, and our approach subsumes the conventional M3N as a special case. An efficient learning algorithm based on variational inference and standard convex-optimization solvers for M3N, and a generalization bound are offered. Our method outperforms competing ones on both synthetic and real OCR data.

Learning graphical models with hidden variables can offer semantic insights to complex data and lead to salient structured predictors without relying on expensive, sometime unattainable fully annotated training data. While likelihood-based methods have been extensively explored, to our knowledge, learning structured prediction models with latent variables based on the max-margin principle remains largely an open problem. In this paper, we present a partially observed Maximum Entropy Discrimination Markov Network (PoMEN) model that attempts to combine the advantages of Bayesian and margin based paradigms for learning Markov networks from partially labeled data. PoMEN leads to an averaging prediction rule that resembles a Bayes predictor that is more robust to overfitting, but is also built on the desirable discriminative laws resemble those of the M$^3$N. We develop an EM-style algorithm utilizing existing convex optimization algorithms for M$^3$N as a subroutine. We demonstrate competent performance of PoMEN over existing methods on a real-world web data extraction task.

Hierarchical models have been extensively studied in various domains. However, existing models assume fixed model structures or incorporate structural uncertainty generatively. In this paper, we propose Dynamic Hierarchical Markov Random Fields (DHMRFs) to incorporate structural uncertainty in a discriminative manner. DHMRFs consist of two parts -- structure model and class label model. Both are defined as exponential family distributions. Conditioned on observations, DHMRFs relax the independence assumption as made in directed models. As exact inference is intractable, a variational method is developed to learn parameters and to find the MAP model structure and label assignment. We apply the model to a real-world web data extraction task, which automatically extracts product items for sale on the Web. The results show promise.

Recent work has shown the effectiveness of leveraging layout and tag-tree structure for segmenting webpages and labeling HTML elements. However, how to effectively segment and label the text contents inside HTML elements is still an open problem. Since many text contents on a webpage are often text fragments and not strictly grammatical, traditional natural language processing techniques, that typically expect grammatical sentences, are no longer directly applicable. In this paper, we examine how to use layout and tag-tree structure in a principled way to help understand text contents on webpages. We propose to segment and label the page structure and the text content of a webpage in a joint discriminative probabilistic model. In this model, semantic labels of page structure can be leveraged to help text content understanding, and semantic labels ofthe text phrases can be used in page structure understanding tasks such as data record detection. Thus, integration of both page structure and text content understanding leads to an integrated solution of webpage understanding. Experimental results on research homepage extraction show the feasibility and promise of our approach.

Recent work has shown the feasibility and promise of templateindependent Web data extraction. However, existing approaches use decoupled strategies – attempting to do data record detection and attribute labeling in two separate phases. In this paper, we show that separately extracting data records and attributes is highly ineffective and propose a probabilistic model to perform these two tasks simultaneously. In our approach, record detection can benefit from the availability of semantics required in attribute labeling and, at the same time, the accuracy of attribute labeling can be improved when data records are labeled in a collective manner. The proposed model is called Hierarchical Conditional Random Fields. It can efficiently integrate all useful features by learning their importance, and it can also incorporate hierarchical interactions which are very important for Web data extraction. We empirically compare the proposed model with existing decoupled approaches for product information extraction, and the results show significant improvements in both record detection and attribute labeling.

The Web contains an abundance of useful semistructured information about real world objects, and our empirical study shows that strong sequence characteristics exist for Web information about objects of the same type across different Web sites. Conditional Random Fields (CRFs) are the state of the art approaches taking the sequence characteristics to do better labeling. However, as the information on a Web page is two-dimensionally laid out, previous linear-chain CRFs have their limitations for Web information extraction. To better incorporate the two-dimensional neighborhood interactions, this paper presents a two-dimensional CRF model to automatically extract object information from the Web. We empirically compare the proposed model with existing linear-chain CRF models for product information extraction, and the results show the effectiveness of our model.