Vision modeling has advanced rapidly with Transformers, whose attention mechanisms capture visual dependencies but lack a principled account of how semantic information propagates spatially. We revisit this problem from a wave-based perspective: feature maps are treated as spatial signals whose evolution over an internal propagation time (aligned with network depth) is governed by an underdamped wave equation. In this formulation, spatial frequency—from low-frequency global layout to high-frequency edges and textures—is modeled explicitly, and its interaction with propagation time is controlled rather than implicitly fixed. We derive a closed-form, frequency–time decoupled solution and implement it as the Wave Propagation Operator (WPO), a lightweight module that models global interactions in O(NlogN) time—far lower than attention. Building on WPO, we propose a family of WaveFormer models as drop-in replacements for standard ViTs and CNNs, achieving competitive accuracy across image classification, object detection, and semantic segmentation, while delivering up to 1.6× higher throughput and 30% fewer FLOPs than attention-based alternatives. Furthermore, our results demonstrate that wave propagation introduces a complementary modeling bias to heat-based methods, effectively capturing both global coherence and high-frequency details essential for rich visual semantics.

Reinforcement learning (RL) often encounters delayed and sparse feedback in real-world applications, even with only episodic rewards. Previous approaches have made some progress in reward redistribution for credit assignment but still face challenges, including training difficulties due to redundancy and ambiguous attributions stemming from overlooking the multifaceted nature of mission performance evaluation. Hopefully, Large Language Model (LLM) encompasses fruitful decision-making knowledge and provides a plausible tool for reward redistribution. Even so, deploying LLM in this case is non-trivial due to the misalignment between linguistic knowledge and the symbolic form requirement, together with inherent randomness and hallucinations in inference. To tackle these issues, we introduce LaRe, a novel LLM-empowered symbolic-based decision-making framework, to improve credit assignment. Key to LaRe is the concept of the Latent Reward, which works as a multi-dimensional performance evaluation, enabling more interpretable goal attainment from various perspectives and facilitating more effective reward redistribution. We examine that semantically generated code from LLM can bridge linguistic knowledge and symbolic latent rewards, as it is executable for symbolic objects. Meanwhile, we design latent reward self-verification to increase the stability and reliability of LLM inference. Theoretically, reward-irrelevant redundancy elimination in the latent reward benefits RL performance from more accurate reward estimation. Extensive experimental results witness that LaRe (i) achieves superior temporal credit assignment to SOTA methods, (ii) excels in allocating contributions among multiple agents, and (iii) outperforms policies trained with ground truth rewards for certain tasks.

Multimodal Large Language Models (MLLMs) have shown remarkable cognitive capabilities in various cross-modal tasks.However, existing MLLMs struggle with tasks that require physical digital cognition, such as accurately reading an electric meter or pressure gauge. This limitation significantly reduces their effectiveness in practical applications like industrial monitoring and home energy management, where digital sensors are not feasible. For humans, physical digits are artificially defined quantities presented on specific carriers, which require training to recognize. As existing MLLMs are only pre-trained in the manner of object recognition, they fail to comprehend the relationship between digital carriers and their reading. To this end, referring to human behavior, we propose a novel DigitalLLaVA method to explicitly inject digital cognitive abilities into MLLMs in a two-step manner. In the first step, to improve the MLLM's understanding of physical digit carriers, we propose a digit carrier mapping method. This step utilizes object-level text-image pairs to enhance the model's comprehension of objects containing physical digits. For the second step, unlike previous methods that rely on sequential digital prediction or digit regression, we propose a 32 bit floating point simulation approach that treats digit prediction as a whole. Using digit-level text-image pairs, we train three float heads to predict 32-bit floating-point numbers using 0/1 binary classification. This step significantly reduces the search space, making the prediction process more robust and straightforward. Being simple but effective, our method can identify very precise metrics (i.e., accurate to ±0.001) and provide floating-point results, showing its applicability in digital carrier domains.

Density Functional Theory (DFT) is a pivotal method within quantum chemistry and materials science, with its core involving the construction and solution of the Kohn-Sham Hamiltonian. Despite its importance, the application of DFT is frequently limited by the substantial computational resources required to construct the Kohn-Sham Hamiltonian. In response to these limitations, current research has employed deep-learning models to efficiently predict molecular and solid Hamiltonians, with roto-translational symmetries encoded in their neural networks. However, the scalability of prior models may be problematic when applied to large molecules, resulting in non-physical predictions of ground-state properties. In this study, we generate a substantially larger training set (PubChemQH) than used previously and use it to create a scalable model for DFT calculations with physical accuracy. For our model, we introduce a loss function derived from physical principles, which we call Wavefunction Alignment Loss (WALoss). WALoss involves performing a basis change on the predicted Hamiltonian to align it with the observed one; thus, the resulting differences can serve as a surrogate for orbital energy differences, allowing models to make better predictions for molecular orbitals and total energies than previously possible. WALoss also substantially accelerates self-consistent-field (SCF) DFT calculations. Here, we show it achieves a reduction in total energy prediction error by a factor of 1347 and an SCF calculation speed-up by a factor of 18\%. These substantial improvements set new benchmarks for achieving accurate and applicable predictions in larger molecular systems.

Artificial neural networks (ANNs) have demonstrated outstanding performance in numerous tasks, but deployment in resource-constrained environments remains a challenge due to their high computational and memory requirements. Spiking neural networks (SNNs) operate through discrete spike events and offer superior energy efficiency, providing a bio-inspired alternative. However, current ANN-to-SNN conversion often results in significant accuracy loss and increased inference time due to conversion errors such as clipping, quantization, and uneven activation. This paper proposes a novel ANN-to-SNN conversion framework based on error compensation learning. We introduce a learnable threshold clipping function, dual-threshold neurons, and an optimized membrane potential initialization strategy to mitigate the conversion error. Together, these techniques address the clipping error through adaptive thresholds, dynamically reduce the quantization error through dual-threshold neurons, and minimize the non-uniformity error by effectively managing the membrane potential. Experimental results on CIFAR-10, CIFAR-100, ImageNet datasets show that our method achieves high-precision and ultra-low latency among existing conversion methods. Using only two time steps, our method significantly reduces the inference time while maintains competitive accuracy of 94.75% on CIFAR-10 dataset under ResNet-18 structure. This research promotes the practical application of SNNs on low-power hardware, making efficient real-time processing possible.

Hamiltonian matrix prediction is pivotal in computational chemistry, serving as the foundation for determining a wide range of molecular properties. While SE(3) equivariant graph neural networks have achieved remarkable success in this domain, their substantial computational cost—driven by high-order tensor product (TP) operations—restricts their scalability to large molecular systems with extensive basis sets. To address this challenge, we introduce SPHNet, an efficient and scalable equivariant network, that incorporates adaptive SParsity into Hamiltonian prediction. SPHNet employs two innovative sparse gates to selectively constrain non-critical interaction combinations, significantly reducing tensor product computations while maintaining accuracy. To optimize the sparse representation, we develop a Three-phase Sparsity Scheduler, ensuring stable convergence and achieving high performance at sparsity rates of up to 70%. Extensive evaluations on QH9 and PubchemQH datasets demonstrate that SPHNet achieves state-of-the-art accuracy while providing up to a 7x speedup over existing models. Beyond Hamiltonian prediction, the proposed sparsification techniques also hold significant potential for improving the efficiency and scalability of other SE(3) equivariant networks, further broadening their applicability and impact.

The human palm demonstrates spatial reconfigurability during the gripping process and forms a spherical grasping envelope. Based on these observations, this study designs a reconfigurable spherical palm that incorporates a spatial scissor mechanism, which only requires a single actuator to reshape the palm into a range of spherical forms. We conduct a kinematic analysis and modelling of the structure, abstracting three key parameters and analysing their influence on the motion characteristics of the palm. Through multi-objective optimisation, a set of dimensional parameters is derived to balance workspace, human-like motion, and mechanical performance. The performance of the reconfigurability and the grasping capability of the proposed palm is compared to a planar folding palm by superquadrics, and the results show that the spherical design and the reconfigurable characteristics provide larger grasping arrangement and stronger grasping capability of the palm on most of the testing surfaces.

Equivariant Graph Neural Networks (EGNNs) have demonstrated significant success in modeling microscale systems, including those in chemistry, biology and materials science. However, EGNNs face substantial computational challenges due to the high cost of constructing edge features via spherical tensor products, making them almost impractical for large-scale systems. To address this limitation, we introduce E2Former, an equivariant and efficient transformer architecture that incorporates a Wigner $6j$ convolution (Wigner $6j$ Conv). By shifting the computational burden from edges to nodes, Wigner $6j$ Conv reduces the complexity from $O(| \mathcal{E}|)$ to $O(| \mathcal{V}|)$ while preserving both the model's expressive power and rotational equivariance. We show that this approach achieves a 7x–30x speedup compared to conventional $\mathrm{SO}(3)$ convolutions. Furthermore, our empirical results demonstrate that the derived E2Former mitigates the computational challenges of existing approaches without compromising the ability to capture detailed geometric information. This development could suggest a promising direction for scalable molecular modeling.

Unified visual grounding (UVG) capitalizes on a wealth of task-related knowledge across various grounding tasks via one-shot training, which curtails retraining costs and task-specific architecture design efforts. Vertex generation-based UVG methods achieve this versatility by unified modeling object box and contour prediction and provide a text-powered interface to vast related multi-modal tasks, e.g., visual question answering and captioning. However, these methods typically generate vertexes sequentially through autoregression, which is prone to be trapped in error accumulation and heavy computation, especially for high-dimension sequence generation in complex scenarios. In this paper, we develop Parallel Vertex Diffusion (PVD) based on the parallelizability of diffusion models to accurately and efficiently generate vertexes in a parallel and scalable manner. Since the coordinates fluctuate greatly, it typically encounters slow convergence when training diffusion models without geometry constraints. Therefore, we consummate our PVD by two critical components, i.e., center anchor mechanism and angle summation loss, which serve to normalize coordinates and adopt a differentiable geometry descriptor from the point-in-polygon problem of computational geometry to constrain the overall difference of prediction and label vertexes. These innovative designs empower our PVD to demonstrate its superiority with state-of-the-art performance across various grounding tasks.

Recently, subject-driven generation has garnered significant interest due to its ability to personalize text-to-image generation. Typical works focus on learning the new subject's private attributes. However, an important fact has not been taken seriously that a subject is not an isolated new concept but should be a specialization of a certain category in the pre-trained model. This results in the subject failing to comprehensively inherit the attributes in its category, causing poor attribute-related generations. In this paper, motivated by object-oriented programming, we model the subject as a derived class whose base class is its semantic category. This modeling enables the subject to inherit public attributes from its category while learning its private attributes from the user-provided example. Specifically, we propose a plug-and-play method, Subject-Derived regularization (SuDe). It constructs the base-derived class modeling by constraining the subject-driven generated images to semantically belong to the subject's category. Extensive experiments under three baselines and two backbones on various subjects show that our SuDe enables imaginative attribute-related generations while maintaining subject fidelity. For the codes, please refer to FaceChain.

Interactive Segmentation (IS) segments specific objects or parts in the image according to user input. Current IS pipelines fall into two categories: single-granularity out-put and multi-granularity output. The latter aims to allevi-ate the spatial ambiguity present in the former. However, the multi-granularity output pipeline suffers from limited interaction flexibility and produces redundant results. In this work, we introduce Granularity-Controllable Interactive Segmentation (GraCo), a novel approach that allows precise control of prediction granularity by introducing ad-ditional parameters to input. This enhances the customization of the interactive system and eliminates redundancy while resolving ambiguity. Nevertheless, the exorbitant cost of annotating multi-granularity masks and the lack of avail-able datasets with granularity annotations make it difficult for models to acquire the necessary guidance to control out-put granularity. To address this problem, we design an any-granularity mask generator that exploits the semantic property of the pre-trained IS model to automatically gen-erate abundant mask-granularity pairs without requiring additional manual annotation. Based on these pairs, we propose a granularity-controllable learning strategy that efficiently imparts the granularity controllability to the IS model. Extensive experiments on intricate scenarios at ob-ject and part levels demonstrate that our GraCo has signifi-cant advantages over previous methods. This highlights the potential of GraCo to be a flexible annotation tool, capable of adapting to diverse segmentation scenarios. The project page: https://zhao-yian.github.io/GraCo.

A codebook designed for learning discrete distributions in latent space has demonstrated state-of-the-art results on generation tasks. This inspires us to explore what distribution of codebook is better. Following the spirit of Kepler's Conjecture, we cast the codebook training as solving the sphere packing problem and derive a Kepler codebook with a compact and structured distribution to obtain a codebook for image representations. Furthermore, we implement the Kepler codebook training by simply employing this derived distribution as regularization and using the codebook partition method. We conduct extensive experiments to evaluate our trained codebook for image reconstruction and generation on natural and human face datasets, respectively, achieving significant performance improvement. Besides, our Kepler codebook has demonstrated superior performance when evaluated across datasets and even for reconstructing images with different resolutions. Our trained models and source codes will be publicly released.

Conventional state representations in reinforcement learning often omit critical task-related details, presenting a significant challenge for value networks in establishing accurate mappings from states to task rewards. Traditional methods typically depend on extensive sample learning to enrich state representations with task-specific information, which leads to low sample efficiency and high time costs. Recently, surging knowledgeable large language models (LLM) have provided promising substitutes for prior injection with minimal human intervention. Motivated by this, we propose LLM-Empowered State Representation (LESR), a novel approach that utilizes LLM to autonomously generate task-related state representation codes which help to enhance the continuity of network mappings and facilitate efficient training. Experimental results demonstrate LESR exhibits high sample efficiency and outperforms state-of-the-art baselines by an average of **29%** in accumulated reward in Mujoco tasks and **30%** in success rates in Gym-Robotics tasks. Codes of LESR are accessible at https://github.com/thu-rllab/LESR.

Predicting the mean-field Hamiltonian matrix in density functional theory is a fundamental formulation to leverage machine learning for solving molecular science problems. Yet, its applicability is limited by insufficient labeled data for training. In this work, we highlight that Hamiltonian prediction possesses a self-consistency principle, based on which we propose self-consistency training, an exact training method that does not require labeled data. It distinguishes the task from predicting other molecular properties by the following benefits: (1) it enables the model to be trained on a large amount of unlabeled data, hence addresses the data scarcity challenge and enhances generalization; (2) it is more efficient than running DFT to generate labels for supervised training, since it amortizes DFT calculation over a set of queries. We empirically demonstrate the better generalization in data-scarce and out-of-distribution scenarios, and the better efficiency over DFT labeling. These benefits push forward the applicability of Hamiltonian prediction to an ever-larger scale.

Recently, diffusion models have made significant strides in synthesizing realistic 2D human images based on provided text prompts. Building upon this, researchers have extended 2D text-to-image diffusion models into the 3D domain for generating human textures (UV Maps). However, some important problems about UV Map Generative models are still not solved, i.e., how to generate personalized texture maps for any given face image, and how to define and evaluate the quality of these generated texture maps. To solve the above problems, we introduce a novel method, UVMap-ID, which is a controllable and personalized UV Map generative model. Unlike traditional large-scale training methods in 2D, we propose to fine-tune a pre-trained text-to-image diffusion model which is integrated with a face fusion module for achieving ID-driven customized generation. To support the finetuning strategy, we introduce a small-scale attribute-balanced training dataset, including high-quality textures with labeled text and Face ID. Additionally, we introduce some metrics to evaluate the multiple aspects of the textures. Finally, both quantitative and qualitative analyses demonstrate the effectiveness of our method in controllable and personalized UV Map generation.

In recent years, machine learning has demonstrated impressive capability in handling molecular science tasks. To support various molecular properties at scale, machine learning models are trained in the multi-task learning paradigm. Nevertheless, data of different molecular properties are often not aligned: some quantities, e.g. equilibrium structure, demand more cost to compute than others, e.g. energy, so their data are often generated by cheaper computational methods at the cost of lower accuracy, which cannot be directly overcome through multi-task learning. Moreover, it is not straightforward to leverage abundant data of other tasks to benefit a particular task. To handle such data heterogeneity challenges, we exploit the specialty of molecular tasks that there are physical laws connecting them, and design consistency training approaches that allow different tasks to exchange information directly so as to improve one another. Particularly, we demonstrate that the more accurate energy data can improve the accuracy of structure prediction. We also find that consistency training can directly leverage force and off-equilibrium structure data to improve structure prediction, demonstrating a broad capability for integrating heterogeneous data.

In this study, we introduce a unified neural network architecture, the Deep Equilibrium Density Functional Theory Hamiltonian (DEQH) model, which incorporates Deep Equilibrium Models (DEQs) for predicting Density Functional Theory (DFT) Hamiltonians. The DEQH model inherently captures the self-consistency nature of Hamiltonian, a critical aspect often overlooked by traditional machine learning approaches for Hamiltonian prediction. By employing DEQ within our model architecture, we circumvent the need for DFT calculations during the training phase to introduce the Hamiltonian's self-consistency, thus addressing computational bottlenecks associated with large or complex systems. We propose a versatile framework that combines DEQ with off-the-shelf machine learning models for predicting Hamiltonians. When benchmarked on the MD17 and QH9 datasets, DEQHNet, an instantiation of the DEQH framework, has demonstrated a significant improvement in prediction accuracy. Beyond a predictor, the DEQH model is a Hamiltonian solver, in the sense that it uses the fixed-point solving capability of the deep equilibrium model to iteratively solve for the Hamiltonian. Ablation studies of DEQHNet further elucidate the network's effectiveness, offering insights into the potential of DEQ-integrated networks for Hamiltonian learning. We open source our implementation at https://github.com/Zun-Wang/DEQHNet.

Unsupervised foreground-background segmentation aims at extracting salient objects from cluttered backgrounds, where Generative Adversarial Network (GAN) approaches, especially layered GANs, show great promise. However, without human annotations, they are typically prone to produce foreground and background layers with non-negligible semantic and visual confusion, dubbed "information leakage", resulting in notable degeneration of the generated segmentation mask. To alleviate this issue, we propose a simple-yet-effective explicit layer independence modeling approach, termed Independent Layer Synthesis GAN (ILSGAN), pursuing independent foreground-background layer generation by encouraging their discrepancy. Specifically, it targets minimizing the mutual information between visible and invisible regions of the foreground and background to spur interlayer independence. Through in-depth theoretical and experimental analyses, we justify that explicit layer independence modeling is critical to suppressing information leakage and contributes to impressive segmentation performance gains. Also, our ILSGAN achieves strong state-of-the-art generation quality and segmentation performance on complex real-world data.

Recently, self-supervised large-scale visual pre-training models have shown great promise in representing pixel-level semantic relationships, significantly promoting the development of unsupervised dense prediction tasks, e.g., unsupervised semantic segmentation (USS). The extracted relationship among pixel-level representations typically contains rich class-aware information that semantically identical pixel embeddings in the representation space gather together to form sophisticated concepts. However, leveraging the learned models to ascertain semantically consistent pixel groups or regions in the image is non-trivial since over/ under-clustering overwhelms the conceptualization procedure under various semantic distributions of different images. In this work, we investigate the pixel-level semantic aggregation in self-supervised ViT pre-trained models as image Segmentation and propose the Adaptive Conceptualization approach for USS, termed ACSeg. Concretely, we explicitly encode concepts into learnable prototypes and design the Adaptive Concept Generator (ACG), which adaptively maps these prototypes to informative concepts for each image. Meanwhile, considering the scene complexity of different images, we propose the modularity loss to optimize ACG independent of the concept number based on estimating the intensity of pixel pairs belonging to the same concept. Finally, we turn the USS task into classifying the discovered concepts in an unsupervised manner. Extensive experiments with state-of-the-art results demonstrate the effectiveness of the proposed ACSeg.

Weakly supervised semantic segmentation is typically inspired by class activation maps, which serve as pseudo masks with class-discriminative regions highlighted. Although tremendous efforts have been made to recall precise and complete locations for each class, existing methods still commonly suffer from the unsolicited Out-of-Candidate (OC) error predictions that do not belong to the label candidates, which could be avoidable since the contradiction with image-level class tags is easy to be detected. In this paper, we develop a group ranking-based Out-of-f;Candidate Rectification (OCR) mechanism in a plug-and-play fashion. Firstly, we adaptively split the semantic categories into In-Candidate (IC) and OC groups for each OC pixel according to their prior annotation correlation and posterior prediction correlation. Then, we derive a differentiable rectification loss to force OC pixels to shift to the IC group. Incorporating OCR with seminal baselines (e.g., AffinityNet, SEAM, MCTformer), we can achieve remarkable performance gains on both Pascal VOC (+3.2%, +3.3%, +0.8% mIoU) and MS COCO (+1.0%, +1.3%, +0.5% mIoU) datasets with negligible extra training overhead, which jus-tifies the effectiveness and generality of OCR.††Ŋ github.com/sennnnn/Out-of-Candidate-Rectification

Contrastive learning-based video-language representation learning approaches, e.g., CLIP, have achieved outstanding performance, which pursue semantic interaction upon pre-defined video-text pairs. To clarify this coarse-grained global interaction and move a step further, we have to encounter challenging shell-breaking interactions for fine-grained cross-modal learning. In this paper, we creatively model video-text as game players with multivariate cooperative game theory to wisely handle the uncertainty during fine-grained semantic interaction with diverse granularity, flexible combination, and vague intensity. Concretely, we propose Hierarchical Banzhaf Interaction (HBI) to value possible correspondence between video frames and text words for sensitive and explainable cross-modal contrast. To efficiently realize the cooperative game of multiple video frames and multiple text words, the proposed method clusters the original video frames (text words) and computes the Banzhaf Interaction between the merged tokens. By stacking token merge modules, we achieve cooperative games at different semantic levels. Extensive experiments on commonly used text-video retrieval and video-question answering bench-marks with superior performances justify the efficacy of our HBI. More encouragingly, it can also serve as a visualization tool to promote the understanding of cross-modal interaction, which have a far-reaching impact on the community. Project page is available at https://jpthu17.github.io/HBI/.

Semi-supervised learning (SSL) essentially pursues class boundary exploration with less dependence on human annotations. Although typical attempts focus on ameliorating the inevitable error-prone pseudo-labeling, we think differently and resort to exhausting informative semantics from multiple probably correct candidate labels. In this paper, we introduce Fuzzy Positive Learning (FPL) for accurate SSL semantic segmentation in a plug-and-play fashion, targeting adaptively encouraging fuzzy positive predictions and suppressing highly-probable negatives. Being conceptually simple yet practically effective, FPL can remarkably alleviate interference from wrong pseudo labels and progressively achieve clear pixel-level semantic discrimination. Concretely, our FPL approach consists of two main components, including fuzzy positive assignment (FPA) to provide an adaptive number of labels for each pixel and fuzzy positive regularization (FPR) to restrict the predictions of fuzzy positive categories to be larger than the rest under different perturbations. Theoretical analysis and extensive experiments on Cityscapes and VOC 2012 with consistent performance gain justify the superiority of our approach. Codes are provided in https://github.com/qpc1611094/FPL.

Recent advances in robust semi-supervised learning (SSL) typically filter out-of-distribution (OOD) information at the sample level. We argue that an overlooked problem of robust SSL is its corrupted information on semantic level, practically limiting the development of the field. In this paper, we take an initial step to explore and propose a unified framework termed OOD Semantic Pruning (OSP), which aims at pruning OOD semantics out from in-distribution (ID) features. Specifically, (i) we propose an aliasing OOD matching module to pair each ID sample with an OOD sample with semantic overlap. (ii) We design a soft orthogonality regularization, which first transforms each ID feature by suppressing its semantic component that is collinear with paired OOD sample. It then forces the predictions before and after soft orthogonality decomposition to be consistent. Being practically simple, our method shows a strong performance in OOD detection and ID classification on challenging benchmarks. In particular, OSP surpasses the previous state-of-the-art by 13.7% on accuracy for ID classification and 5.9% on AUROC for OOD detection on TinyImageNet dataset. The source codes are publicly available at https://github.com/rain305f/OSP.

Existing text-video retrieval solutions are, in essence, discriminant models focused on maximizing the conditional likelihood, i.e., p(candidates|query). While straightforward, this de facto paradigm overlooks the underlying data distribution p(query), which makes it challenging to identify out-of-distribution data. To address this limitation, we creatively tackle this task from a generative viewpoint and model the correlation between the text and the video as their joint probability p(candidates,query). This is accomplished through a diffusion-based text-video retrieval framework (Diffusion-Ret), which models the retrieval task as a process of gradually generating joint distribution from noise. During training, DiffusionRet is optimized from both the generation and discrimination perspectives, with the generator being optimized by generation loss and the feature extractor trained with contrastive loss. In this way, DiffusionRet cleverly leverages the strengths of both generative and discriminative methods. Extensive experiments on five commonly used text-video retrieval benchmarks, including MSRVTT, LSMDC, MSVD, ActivityNet Captions, and DiDeMo, with superior performances, justify the efficacy of our method. More encouragingly, without any modification, DiffusionRet even performs well in out-domain retrieval settings. We believe this work brings fundamental insights into the related fields. Code is available at https://github.com/jpthu17/DiffusionRet.

Interactive segmentation enables users to segment as needed by providing cues of objects, which introduces human-computer interaction for many fields, such as image editing and medical image analysis. Typically, massive and expansive pixel-level annotations are spent to train deep models by object-oriented interactions with manually labeled object masks. In this work, we reveal that informative interactions can be made by simulation with semantic-consistent yet diverse region exploration in an unsupervised paradigm. Concretely, we introduce a Multi-granularity Interaction Simulation (MIS) approach to open up a promising direction for unsupervised interactive segmentation. Drawing on the high-quality dense features produced by recent self-supervised models, we propose to gradually merge patches or regions with similar features to form more extensive regions and thus, every merged region serves as a semantic-meaningful multi-granularity proposal. By randomly sampling these proposals and simulating possible interactions based on them, we provide meaningful interaction at multiple granularities to teach the model to understand interactions. Our MIS significantly outperforms non-deep learning unsupervised methods and is even comparable with some previous deep-supervised methods without any annotation.

Nuclear instance segmentation has been critical for pathology image analysis in medical science, e.g., cancer diagnosis. Current methods typically adopt pixel-wise optimization for nuclei boundary exploration, where rich structural information could be lost for subsequent quantitative morphology assessment. To address this issue, we develop a topology-aware segmentation approach, termed TopoSeg, which exploits topological structure information to keep the predictions rational, especially in common situations with densely touching and overlapping nucleus instances. Concretely, TopoSeg builds on a topology-aware module (TAM), which encodes dynamic changes of different topology structures within the three-class probability maps (inside, boundary, and background) of the nuclei to persistence barcodes and makes the topology-aware loss function. To efficiently focus on regions with high topological errors, we propose an adaptive topology-aware selection (ATS) strategy to enhance the topology-aware optimization procedure further. Experiments on three nuclear instance segmentation datasets justify the superiority of TopoSeg, which achieves state-of-the-art performance. The code is available at https://github.com/hhlisme/toposeg.

Despite substantial advances, single-image super-resolution (SISR) is always in a dilemma to reconstruct high-quality images with limited information from one input image, especially in realistic scenarios. In this paper, we establish a large-scale real-world burst super-resolution dataset, i.e., RealBSR, to explore the faithful reconstruction of image details from multiple frames. Furthermore, we introduce a Federated Burst Affinity network (FBAnet) to investigate non-trivial pixel-wise displacements among images under real-world image degradation. Specifically, rather than using pixel-wise alignment, our FBAnet employs a simple homography alignment from a structural geometry aspect and a Federated Affinity Fusion (FAF) strategy to aggregate the complementary information among frames. Those fused informative representations are fed to a Transformer-based module of burst representation decoding. Besides, we have conducted extensive experiments on two versions of our datasets, i.e., RealBSR-RAW and RealBSR-RGB. Experimental results demonstrate that our FBAnet outperforms existing state-of-the-art burst SR methods and also achieves visually-pleasant SR image predictions with model details. Our dataset, codes, and models are publicly available at https://github.com/yjsunnn/FBANet.

Position information is critical for Vision Transformers (VTs) due to the permutation-invariance of self-attention operations. A typical way to introduce position information is adding the absolute Position Embedding (PE) to patch embedding before entering VTs. However, this approach operates the same Layer Normalization (LN) to token embedding and PE, and delivers the same PE to each layer. This results in restricted and monotonic PE across layers, as the shared LN affine parameters are not dedicated to PE, and the PE cannot be adjusted on a per-layer basis. To overcome these limitations, we propose using two independent LNs for token embeddings and PE in each layer, and progressively delivering PE across layers. By implementing this approach, VTs will receive layer-adaptive and hierarchical PE. We name our method as Layer-adaptive Position Embedding, abbreviated as LaPE, which is simple, effective, and robust. Extensive experiments on image classification, object detection, and semantic segmentation demonstrate that LaPE significantly outperforms the default PE method. For example, LaPE improves +1.06% for CCT on CIFAR100, +1.57% for DeiT-Ti on ImageNet-1K, +0.7 box AP and +0.5 mask AP for ViT-Adapter-Ti on COCO, and +1.37 mIoU for tiny Segmenter on ADE20K. This is remarkable considering LaPE only increases negligible parameters, memory, and computational cost.

In cooperative multi-agent reinforcement learning, centralized training with decentralized execution (CTDE) shows great promise for a trade-off between independent Q-learning and joint action learning. However, vanilla CTDE methods assumed a fixed number of agents could hardly adapt to real-world scenarios where dynamic team compositions typically suffer from dramatically variant partial observability. Specifically, agents with extensive sight ranges are prone to be affected by trivial environmental substrates, dubbed the "distracted attention" issue; ones with limited observation can hardly sense their teammates, degrading the cooperation quality. In this paper, we propose Complementary Attention for Multi-Agent reinforcement learning (CAMA), which applies a divide-and-conquer strategy on input entities accompanied with the complementary attention of enhancement and replenishment. Concretely, to tackle the distracted attention issue, highly contributed entities' attention is enhanced by the execution-related representation extracted via action prediction with an inverse model. For better out-of-sight-range cooperation, the lowly contributed ones are compressed to brief messages with a conditional mutual information estimator. Our CAMA facilitates stable and sustainable teamwork, which is justified by the impressive results reported on the challenging StarCraftII, MPE, and Traffic Junction benchmarks.

The top-down and bottom-up methods are two mainstreams of referring segmentation, while both methods have their own intrinsic weaknesses. Top-down methods are chiefly disturbed by Polar Negative (PN) errors owing to the lack of fine-grained cross-modal alignment. Bottom-up methods are mainly perturbed by Inferior Positive (IP) errors due to the lack of prior object information. Nevertheless, we discover that two types of methods are highly complementary for restraining respective weaknesses but the direct average combination leads to harmful interference. In this context, we build Win-win Cooperation (WiCo) to exploit complementary nature of two types of methods on both interaction and integration aspects for achieving a win-win improvement. For the interaction aspect, Complementary Feature Interaction (CFI) introduces prior object information to bottom-up branch and provides fine-grained information to top-down branch for complementary feature enhancement. For the integration aspect, Gaussian Scoring Integration (GSI) models the gaussian performance distributions of two branches and weighted integrates results by sampling confident scores from the distributions. With our WiCo, several prominent bottom-up and top-down combinations achieve remarkable improvements on three common datasets with reasonable extra costs, which justifies effectiveness and generality of our method.

Text-video retrieval is a challenging cross-modal task, which aims to align visual entities with natural language descriptions. Current methods either fail to leverage the local details or are computationally expensive. What's worse, they fail to leverage the heterogeneous concepts in data. In this paper, we propose the Disentangled Conceptualization and Set-to-set Alignment (DiCoSA) to simulate the conceptualizing and reasoning process of human beings. For disentangled conceptualization, we divide the coarse feature into multiple latent factors related to semantic concepts. For set-to-set alignment, where a set of visual concepts correspond to a set of textual concepts, we propose an adaptive pooling method to aggregate semantic concepts to address the partial matching. In particular, since we encode concepts independently in only a few dimensions, DiCoSA is superior at efficiency and granularity, ensuring fine-grained interactions using a similar computational complexity as coarse-grained alignment. Extensive experiments on five datasets, including MSR-VTT, LSMDC, MSVD, ActivityNet, and DiDeMo, demonstrate that our method outperforms the existing state-of-the-art methods.

Video question answering aims at answering a question about the video content by reasoning the alignment semantics within them. However, since relying heavily on human instructions, i.e., annotations or priors, current contrastive learning-based VideoQA methods remains challenging to perform fine-grained visual-linguistic alignments. In this work, we innovatively resort to game theory, which can simulate complicated relationships among multiple players with specific interaction strategies, e.g., video, question, and answer as ternary players, to achieve fine-grained alignment for VideoQA task. Specifically, we carefully design a VideoQA-specific interaction strategy to tailor the characteristics of VideoQA, which can mathematically generate the fine-grained visual-linguistic alignment label without label-intensive efforts. Our TG-VQA outperforms existing state-of-the-art by a large margin (more than 5%) on long-term and short-term VideoQA datasets, verifying its effectiveness and generalization ability. Thanks to the guidance of game-theoretic interaction, our model impressively convergences well on limited data (10^4 videos), surpassing most of those pre-trained on large-scale data (10^7 videos).

Open-world Semi-Supervised Learning (OSSL) is a realistic and challenging task, aiming to classify unlabeled samples from both seen and novel classes using partially labeled samples from the seen classes. Previous works typically explore the relationship of samples as priors on the pre-defined single-granularity labels to help novel class recognition. In fact, classes follow a taxonomy and samples can be classified at multiple levels of granularity, which contains more underlying relationships for supervision. We thus argue that learning with single-granularity labels results in sub-optimal representation learning and inaccurate pseudo labels, especially with unknown classes. In this paper, we take the initiative to explore and propose a uniformed framework, called Taxonomic context prIors Discovering and Aligning (TIDA), which exploits the relationship of samples under various granularity. It allows us to discover multi-granularity semantic concepts as taxonomic context priors (i.e., sub-class, target-class, and super-class), and then collaboratively leverage them to enhance representation learning and improve the quality of pseudo labels. Specifically, TIDA comprises two components: i) A taxonomic context discovery module that constructs a set of hierarchical prototypes in the latent space to discover the underlying taxonomic context priors; ii) A taxonomic context-based prediction alignment module that enforces consistency across hierarchical predictions to build the reliable relationship between classes among various granularity and provide additions supervision. We demonstrate that these two components are mutually beneficial for an effective OSSL framework, which is theoretically explained from the perspective of the EM algorithm. Extensive experiments on seven commonly used datasets show that TIDA can significantly improve the performance and achieve a new state of the art. The source codes are publicly available at https://github.com/rain305f/TIDA.

Machine learning systems generally assume that the training and testing distributions are the same. To this end, a key requirement is to develop models that can generalize to unseen distributions. Domain generalization (DG), i.e., out-of-distribution generalization, has attracted increasing interests in recent years. Domain generalization deals with a challenging setting where one or several different but related domain(s) are given, and the goal is to learn a model that can generalize to an unseen test domain. Great progress has been made in the area of domain generalization for years. This paper presents the first review of recent advances in this area. First, we provide a formal definition of domain generalization and discuss several related fields. We then thoroughly review the theories related to domain generalization and carefully analyze the theory behind generalization. We categorize recent algorithms into three classes: data manipulation, representation learning, and learning strategy, and present several popular algorithms in detail for each category. Third, we introduce the commonly used datasets, applications, and our open-sourced codebase for fair evaluation. Finally, we summarize existing literature and present some potential research topics for the future.

In recent years, generative adversarial networks (GANs) have been an actively studied topic and shown to successfully produce high-quality realistic images in various domains. The controllable synthesis ability of GAN generators suggests that they maintain informative, disentangled, and explainable image representations, but leveraging and transferring their representations to downstream tasks is largely unexplored. In this paper, we propose to distill knowledge from GAN generators by squeezing and spanning their representations. We \emph{squeeze} the generator features into representations that are invariant to semantic-preserving transformations through a network before they are distilled into the student network. We \emph{span} the distilled representation of the synthetic domain to the real domain by also using real training data to remedy the mode collapse of GANs and boost the student network performance in a real domain. Experiments justify the efficacy of our method and reveal its great significance in self-supervised representation learning. Code is available at https://github.com/yangyu12/squeeze-and-span.

Time series data generation has drawn increasing attention in recent years. Several generative adversarial network (GAN) based methods have been proposed to tackle the problem usually with the assumption that the targeted time series data are well-formatted and complete. However, real-world time series (RTS) data are far away from this utopia, e.g., long sequences with variable lengths and informative missing data raise intractable challenges for designing powerful generation algorithms. In this paper, we propose a novel generative framework for RTS data – RTSGAN to tackle the aforementioned challenges. RTSGAN first learns an encoder-decoder module which provides a mapping between a time series instance and a fixed-dimension latent vector and then learns a generation module to generate vectors in the same latent space. By combining the generator and the decoder, RTSGAN is able to generate RTS which respect the original feature distributions and the temporal dynamics. To generate time series with missing values, we further equip RTSGAN with an observation embedding layer and a decide-and-generate decoder to better utilize the informative missing patterns. Experiments on the four RTS datasets show that the proposed framework outperforms the previous generation methods in terms of synthetic data utility for downstream classification and prediction tasks. Our code is available at https://seqml.github.io/rtsgan.

Domain generalization (DG), i.e., out-of-distribution generalization, has attracted increased interests in recent years. Domain generalization deals with a challenging setting where one or several different but related domain(s) are given, and the goal is to learn a model that can generalize to an unseen test domain. For years, great progress has been achieved. This paper presents the first review for recent advances in domain generalization. First, we provide a formal definition of domain generalization and discuss several related fields. Then, we categorize recent algorithms into three classes and present them in detail: data manipulation, representation learning, and learning strategy, each of which contains several popular algorithms. Third, we introduce the commonly used datasets and applications. Finally, we summarize existing literature and present some potential research topics for the future.

Conventional supervised learning methods, especially deep ones, are found to be sensitive to out-of-distribution (OOD) examples, largely because the learned representation mixes the semantic factor with the variation factor due to their domain-specific correlation, while only the semantic factor causes the output. To address the problem, we propose a Causal Semantic Generative model (CSG) based on a causal reasoning so that the two factors are modeled separately, and develop methods for OOD prediction from a single training domain, which is common and challenging. The methods are based on the causal invariance principle, with a novel design in variational Bayes for both efficient learning and easy prediction. Theoretically, we prove that under certain conditions, CSG can identify the semantic factor by fitting training data, and this semantic-identification guarantees the boundedness of OOD generalization error and the success of adaptation. Empirical study shows improved OOD performance over prevailing baselines.

We study whether and how can we model a joint distribution $p(x,z)$ using two conditional models $p(x|z)$ and $q(z|x)$ that form a cycle. This is motivated by the observation that deep generative models, in addition to a likelihood model $p(x|z)$, often also use an inference model $q(z|x)$ for extracting representation, but they rely on a usually uninformative prior distribution $p(z)$ to define a joint distribution, which may render problems like posterior collapse and manifold mismatch. To explore the possibility to model a joint distribution using only $p(x|z)$ and $q(z|x)$, we study their compatibility and determinacy, corresponding to the existence and uniqueness of a joint distribution whose conditional distributions coincide with them. We develop a general theory for operable equivalence criteria for compatibility, and sufficient conditions for determinacy. Based on the theory, we propose a novel generative modeling framework CyGen that only uses the two cyclic conditional models. We develop methods to achieve compatibility and determinacy, and to use the conditional models to fit and generate data. With the prior constraint removed, CyGen better fits data and captures more representative features, supported by both synthetic and real-world experiments.

Behavioral cloning has proven to be effective for learning sequential decision-making policies from expert demonstrations. However, behavioral cloning often suffers from the causal confusion problem where a policy relies on the noticeable effect of expert actions due to the strong correlation but not the cause we desire. This paper presents Object-aware REgularizatiOn (OREO), a simple technique that regularizes an imitation policy in an object-aware manner. Our main idea is to encourage a policy to uniformly attend to all semantic objects, in order to prevent the policy from exploiting nuisance variables strongly correlated with expert actions. To this end, we introduce a two-stage approach: (a) we extract semantic objects from images by utilizing discrete codes from a vector-quantized variational autoencoder, and (b) we randomly drop the units that share the same discrete code together, i.e., masking out semantic objects. Our experiments demonstrate that OREO significantly improves the performance of behavioral cloning, outperforming various other regularization and causality-based methods on a variety of Atari environments and a self-driving CARLA environment. We also show that our method even outperforms inverse reinforcement learning methods trained with a considerable amount of environment interaction.

Distributional shifts between training and target domains may degrade the prediction accuracy of learned models, mainly because these models often learn features that possess only correlation rather than causal relation with the output. Such a correlation, which is known as ``spurious correlation'' statistically, is domain-dependent hence may fail to generalize to unseen domains. To avoid such a spurious correlation, we propose \textbf{La}tent \textbf{C}ausal \textbf{I}nvariance \textbf{M}odels (LaCIM) that specifies the underlying causal structure of the data and the source of distributional shifts, guiding us to pursue only causal factor for prediction. Specifically, the LaCIM introduces a pair of correlated latent factors: (a) causal factor and (b) others, while the extent of this correlation is governed by a domain variable that characterizes the distributional shifts. On the basis of this, we prove that the distribution of observed variables conditioning on latent variables is shift-invariant. Equipped with such an invariance, we prove that the causal factor can be recovered without mixing information from others, which induces the ground-truth predicting mechanism. We propose a Variational-Bayesian-based method to learn this invariance for prediction. The utility of our approach is verified by improved generalization to distributional shifts on various real-world data. Our code is freely available at \url{https://github.com/wubotong/LaCIM}.

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.

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.

The generative adversarial network (GAN) has received considerable attention recently as a model for data synthesis, without an explicit specification of a likelihood function. There has been commensurate interest in leveraging likelihood estimates to improve GAN training. To enrich the understanding of this fast-growing yet almost exclusively heuristic-driven subject, we elucidate the theoretical roots of some of the empirical attempts to stabilize and improve GAN training with the introduction of likelihoods. We highlight new insights from variational theory of diffusion processes to derive a likelihood-based regularizing scheme for GAN training, and present a novel approach to train GANs with an unnormalized distribution instead of empirical samples. To substantiate our claims, we provide experimental evidence on how our theoretically-inspired new algorithms improve upon current practice.

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.

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.

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.