Recent developments in 3D vision have enabled significant progress in inferring neural fluid fields and realistic rendering of fluid dynamics. However, these methods require dense captures of real-world flow, which demand specialized lab setups, making the process costly and challenging. Scientific machine learning (SciML) foundation models, pretrained on extensive simulations of partial differential equations (PDEs), encode rich multiphysics knowledge and thus provide promising sources of domain priors for inferring fluid fields. Nevertheless, the transferability of these foundation models to real-world vision problems remains largely underexplored. In this work, we demonstrate that SciML foundation models can significantly reduce the data costs of inferring real-world 3D fluid dynamics with improved generalization. Our method leverages strong forecasting capabilities and meaningful representations of SciML foundation models. We equip neural fluid fields with a novel collaborative training that utilizes augmented frames, and fluid features extracted by our foundation model. We demonstrate significant advancements in both quantitative metrics and visual quality over previous methods, improving 9∼36% peak signal-to-noise ratio (PSNR) in future prediction with$25 \sim 50 \%$reduction in the number of training frames, thereby showcasing the practical applicability of SciML foundation models in real-world fluid dynamics. We release our code at: https://github.com/delta-lab-ai/SciML-HY.

Although Artificial Intelligence (AI) has transformed vision and language modeling, Scientific Machine Learning (SciML) complements data-driven AI via a knowledge-driven approach, enhancing our understanding of the physical world. My work focuses on: 1) automating scientific reasoning with language models, 2) improving geometric interpretation, 3) developing foundation models for multiphysics.

To mitigate societal biases implicitly encoded in recent successful pretrained language models, a diverse array of approaches have been proposed to encourage model fairness, focusing on prompting, data augmentation, regularized fine-tuning, and more. Despite the development, it is nontrivial to reach a principled understanding of fairness and an effective algorithm that can consistently debias language models. In this work, by rigorous evaluations of Neural Collapse -- a learning phenomenon happen in last-layer representations and classifiers in deep networks -- on fairness-related words, we find that debiased language models exhibit collapsed alignment between token representations and word embeddings. More importantly, this observation inspires us to design a principled fine-tuning method that can effectively improve fairness in a wide range of debiasing methods, while still preserving the performance of language models on standard natural language understanding tasks. We attach our code at https://github.com/Xujxyang/Fairness-NC-main

Deep learning with noisy labels presents significant challenges. In this work, we theoretically characterize the role of label noise from a feature learning perspective. Specifically, we consider a signal-noise data distribution, where each sample comprises a label-dependent signal and label-independent noise, and rigorously analyze the training dynamics of a two-layer convolutional neural network under this data setup, along with the presence of label noise. Our analysis identifies two key stages. In Stage I, the model perfectly fits all the clean samples (i.e., samples without label noise) while ignoring the noisy ones (i.e., samples with noisy labels). During this stage, the model learns the signal from the clean samples, which generalizes well on unseen data. In Stage II, as the training loss converges, the gradient in the direction of noise surpasses that of the signal, leading to overfitting on noisy samples. Eventually, the model memorizes the noise present in the noisy samples and degrades its generalization ability. Furthermore, our analysis provides a theoretical basis for two widely used techniques for tackling label noise: early stopping and sample selection. Experiments on both synthetic and real-world setups validate our theory.

We present PDE-Controller, a framework that enables large language models (LLMs) to control systems governed by partial differential equations (PDEs). Traditional LLMs have excelled in commonsense reasoning but fall short in rigorous logical reasoning. While recent AI-for-math has made strides in pure mathematics, areas of applied mathematics, particularly PDEs, remain underexplored despite their significant real-world applications. Our approach enables LLMs to transform informal natural language instructions into formal specifications, and then execute reasoning and planning steps to improve the utility of PDE control. We build a holistic solution comprising datasets (both human-written cases and 2 million synthetic samples), math-reasoning models, and novel evaluation metrics, all of which require significant effort. Our PDE-Controller significantly outperforms the latest open-source and GPT models in reasoning, autoformalization, and program synthesis, achieving up to a 62% improvement in utility gain for PDE control. By bridging the gap between language generation and PDE systems, we demonstrate the potential of LLMs in addressing complex scientific and engineering challenges. We promise to release all data, model checkpoints, and code upon acceptance.

Recent success of pre-trained foundation vision-language models makes Open-Vocabulary Segmentation (OVS) possible. Despite the promising performance, this approach introduces heavy computational overheads for two challenges: 1) large model sizes of the backbone; 2) expensive costs during the fine-tuning. These challenges hinder this OVS strategy from being widely applicable and affordable in real-world scenarios. Although traditional methods such as model compression and efficient fine-tuning can address these challenges, they often rely on heuristics. This means that their solutions cannot be easily transferred and necessitate re-training on different models, which comes at a cost. In the context of efficient OVS, we target achieving performance that is comparable to or even better than prior OVS works based on large vision-language foundation models, by utilizing smaller models that incur lower training costs. The core strategy is to make our efficiency principled and thus seamlessly transferable from one OVS framework to others without further customization. Comprehensive experiments on diverse OVS benchmarks demonstrate our superior trade-off between segmentation accuracy and computation costs over previous works. Our code is available on https://github.com/Xujxyang/OpenTrans.

Training a high-quality deep neural network requires choosing suitable hyperparameters, which is a non-trivial and expensive process. Current works try to automatically optimize or design principles of hyperparameters, such that they can generalize to diverse unseen scenarios. However, most designs of principles or optimization methods are agnostic to the choice of network structures, and thus largely ignore the impact of neural architectures on hyperparameters. In this work, we precisely characterize the dependence of initializations and maximal learning rates on the network architecture, which includes the network depth, width, convolutional kernel size, and connectivity patterns. By pursuing every parameter to be maximally updated with the same mean squared change in pre-activations, we can generalize our initialization and learning rates across MLPs (multi-layer perception) and CNNs (convolutional neural network) with sophisticated graph topologies. We verify our principles with comprehensive experiments. More importantly, our strategy further sheds light on advancing current benchmarks for architecture design. A fair comparison of AutoML algorithms requires accurate network rankings. However, we demonstrate that network rankings can be easily changed by better training networks in benchmarks with our architecture-aware learning rates and initialization.

Sparse Mixture-of-Experts (MoE) is a neural architecture design that adds learnable parameters to Large Language Models (LLMs) without increasing computational complexity (FLOPs). Instruction tuning is a technique for training LLMs to follow instructions. We advocate combining these two approaches, as we find that MoE models benefit more from instruction tuning than dense models. In particular, we conduct empirical studies across three experimental setups: (i) Direct finetuning on individual downstream tasks devoid of instruction tuning; (ii) Instruction tuning followed by in-context few-shot or zero-shot generalization on downstream tasks; and (iii) Instruction tuning supplemented by further finetuning on individual downstream tasks. In the first scenario, MoE models overall underperform dense models of identical computational capacity. This narrative, however, dramatically changes with the introduction of instruction tuning (in the second and third scenarios), used independently or in conjunction with task-specific finetuning. Our most powerful model, FLAN-MoE-32B, surpasses the performance of Flan-PaLM-62B on four benchmark tasks, while using only a third of the FLOPs. The advancements embodied by FLAN-MoE inspire a reevaluation of the design principles of large-scale, high-performance language models in the framework of task-agnostic learning.

Recent years have witnessed the promise of coupling machine learning methods and physical domain-specific insights for solving scientific problems based on partial differential equations (PDEs). However, being data-intensive, these methods still require a large amount of PDE data. This reintroduces the need for expensive numerical PDE solutions, partially undermining the original goal of avoiding these expensive simulations. In this work, seeking data efficiency, we design unsupervised pretraining for PDE operator learning. To reduce the need for training data with heavy simulation costs, we mine unlabeled PDE data without simulated solutions, and we pretrain neural operators with physics-inspired reconstruction-based proxy tasks. To improve out-of-distribution performance, we further assist neural operators in flexibly leveraging a similarity-based method that learns in-context examples, without incurring extra training costs or designs. Extensive empirical evaluations on a diverse set of PDEs demonstrate that our method is highly data-efficient, more generalizable, and even outperforms conventional vision-pretrained models. We provide our code at https://github.com/delta-lab-ai/data_efficient_nopt.

This work targets designing a principled and unified training-free framework for Neural Architecture Search (NAS), with high performance, low cost, and in-depth interpretation. NAS has been explosively studied to automate the discovery of top-performer neural networks, but suffers from heavy resource consumption and often incurs search bias due to truncated training or approximations. Recent NAS works Mellor et al. 2021, Chen et al. 2021, Abdelfattah et al. 2021 start to explore indicators that can predict a network's performance without training. However, they either leveraged limited properties of deep networks, or the benefits of their training-free indicators were not applied to more extensive search methods. By rigorous correlation analysis, we present a unified framework to understand and accelerate NAS, by disentangling “TEG” characteristics of searched networks –Trainability,Expressivity,Generalization– all assessed in a training-free manner. The TEG indicators could be scaled up and integrated with various NAS search methods, including both supernet and single-path NAS approaches. Extensive studies validate the effective and efficient guidance from our TEG-NAS framework, leading to both improved search accuracy and over 56% reduction in search time cost. Moreover, we visualize search trajectories on three landscapes of “TEG” characteristics, observing that a good local minimum is easier to find on NAS-Bench-201 given its simple topology, whereas balancing “TEG” characteristics is much harder on the DARTS space due to its complex landscape geometry.

In this paper, we propose a data-model-hardware tri-design framework for high-throughput, low-cost, and high-accuracy multi-object tracking (MOT) on High-Definition (HD) video stream. First, to enable ultra-light video intelligence, we propose temporal frame-filtering and spatial saliency-focusing approaches to reduce the complexity of massive video data. Second, we exploit structure-aware weight sparsity to design a hardware-friendly model compression method. Third, assisted with data and model complexity reduction, we propose a sparsity-aware, scalable, and low-power accelerator design, aiming to deliver real-time performance with high energy efficiency. Different from existing works, we make a solid step towards the synergized software/hardware co-optimization for realistic MOT model implementation. Compared to the state-of-the-art MOT baseline, our tri-design approach can achieve 12.5× latency reduction, 20.9× effective frame rate improvement, 5.83× lower power, and 9.78× better energy efficiency, without much accuracy drop.

Pretraining on a large-scale corpus has become a standard method to build general language models (LMs). Adapting a model to new data distributions targeting different downstream tasks poses significant challenges. Naive fine-tuning may incur catastrophic forgetting when the over-parameterized LMs overfit the new data but fail to preserve the pretrained features. Lifelong learning (LLL) aims to enable information systems to learn from a continuous data stream across time. However, most prior work modifies the training recipe assuming a static fixed network architecture. We find that additional model capacity and proper regularization are key elements to achieving strong LLL performance. Thus, we propose Lifelong-MoE, an extensible MoE (Mixture-of-Experts) architecture that dynamically adds model capacity via adding experts with regularized pretaining. Our results show that by only introducing a limited number of extra experts while keeping the computation cost constant, our model can steadily adapt to data distribution shifts while preserving the previous knowledge. Compared to existing lifelong learning approaches, Lifelong-MoE achieves better few-shot performance on NLP tasks. More impressively, Lifelong-MoE surpasses multi-task learning on 19 downstream NLU tasks.

Advanced deep neural networks (DNNs), designed by either human or AutoML algorithms, are growing increasingly complex. Diverse operations are connected by complicated connectivity patterns, e.g., various types of skip connections. Those topological compositions are empirically effective and observed to smooth the loss landscape and facilitate the gradient flow in general. However, it remains elusive to derive any principled understanding of their effects on the DNN capacity or trainability, and to understand why or in which aspect one specific connectivity pattern is better than another. In this work, we theoretically characterize the impact of connectivity patterns on the convergence of DNNs under gradient descent training in fine granularity. By analyzing a wide network's Neural Network Gaussian Process (NNGP), we are able to depict how the spectrum of an NNGP kernel propagates through a particular connectivity pattern, and how that affects the bound of convergence rates. As one practical implication of our results, we show that by a simple filtration of "unpromising" connectivity patterns, we can trim down the number of models to evaluate, and significantly accelerate the large-scale neural architecture search without any overhead.

We present Sandwich Batch Normalization (SaBN), a frustratingly easy improvement of Batch Normalization (BN) with only a few lines of code changes. SaBN is motivated by addressing the inherent feature distribution heterogeneity that one can be identified in many tasks, which can arise from data heterogeneity (multiple input domains) or model heterogeneity (dynamic architectures, model conditioning, etc.). Our SaBN factorizes the BN affine layer into one shared sandwich affine layer, cascaded by several parallel independent affine layers. Concrete analysis reveals that, during optimization, SaBN promotes balanced gradient norms while still preserving diverse gradient directions – a property that many application tasks seem to favor. We demonstrate the prevailing effectiveness of SaBN as a drop-in replacement in four tasks: conditional image generation, neural architecture search (NAS), adversarial training, and arbitrary style transfer. Leveraging SaBN immediately achieves better Inception Score and FID on CIFAR-10 and ImageNet conditional image generation with three state-of-the-art GANs; boosts the performance of a state-of-the-art weight-sharing NAS algorithm significantly on NAS-Bench-201; substantially improves the robust and standard accuracies for adversarial defense; and produces superior arbitrary styl-ized results. We also provide visualizations and analysis to help understand why SaBN works. Codes are available at: https://github.com/VITA-Group/Sandwich-Batch-Normalization.

Learning to optimize (L2O) is an emerging approach that leverages machine learning to develop optimization methods, aiming at reducing the laborious iterations of hand engineering. It automates the design of an optimization method based on its performance on a set of training problems. This data-driven procedure generates methods that can efficiently solve problems similar to those in training. In sharp contrast, the typical and traditional designs of optimization methods are theory-driven, so they obtain performance guarantees over the classes of problems specified by the theory. The difference makes L2O suitable for repeatedly solving a particular optimization problem over a specific distribution of data, while it typically fails on out-of-distribution problems. The practicality of L2O depends on the type of target optimization, the chosen architecture of the method to learn, and the training procedure. This new paradigm has motivated a community of researchers to explore L2O and report their findings. This article is poised to be the first comprehensive survey and benchmark of L2O for continuous optimization. We set up taxonomies, categorize existing works and research directions, present insights, and identify open challenges. We benchmarked many existing L2O approaches on a few representative optimization problems. For reproducible research and fair benchmarking purposes, we released our software implementation and data in the package Open-L2O at https://github.com/VITA-Group/Open-L2O.

Semantic segmentation for scene understanding is nowadays widely demanded, raising significant challenges for the algorithm efficiency, especially its applications on resource-limited platforms. Current segmentation models are trained and evaluated on massive high-resolution scene images (“data-level”) and suffer from the expensive computation arising from the required multi-scale aggregation (“network level”). In both folds, the computational and energy costs in training and inference are notable due to the often desired large input resolutions and heavy computational burden of segmentation models. To this end, we propose DANCE, general automated DA ta- N etwork C o-optimization for E fficient segmentation model training and inference . Distinct from existing efficient segmentation approaches that focus merely on light-weight network design, DANCE distinguishes itself as an automated simultaneous data-network co-optimization via both input data manipulation and network architecture slimming. Specifically, DANCE integrates automated data slimming which adaptively downsamples/drops input images and controls their corresponding contribution to the training loss guided by the images’ spatial complexity. Such a downsampling operation, in addition to slimming down the cost associated with the input size directly, also shrinks the dynamic range of input object and context scales, therefore motivating us to also adaptively slim the network to match the downsampled data. Extensive experiments and ablating studies (on four SOTA segmentation models with three popular segmentation datasets under two training settings) demonstrate that DANCE can achieve “all-win” towards efficient segmentation (reduced training cost, less expensive inference, and better mean Intersection-over-Union (mIoU)). Specifically, DANCE can reduce ↓25%–↓77% energy consumption in training, ↓31%–↓56% in inference, while boosting the mIoU by ↓0.71%–↑ 13.34%.

Many real-world applications have to tackle the Positive-Unlabeled (PU) learning problem, i.e., learning binary classifiers from a large amount of unlabeled data and a few labeled positive examples. While current state-of-the-art methods employ importance reweighting to design various biased or unbiased risk estimators, they completely ignored the learning capability of the model itself, which could provide reliable supervision. This motivates us to propose a novel Self-PU learning framework, which seamlessly integrates PU learning and self-training. Self-PU highlights three “self”-oriented building blocks: a self-paced training algorithm that adaptively discovers and augments confident positive/negative examples as the training proceeds; a self-reweighted, instance-aware loss; and a self-distillation scheme that introduces teacher-students learning as an effective regularization for PU learning. We demonstrate the state-of-the-art performance of Self-PU on common PU learning benchmarks (MNIST and CIFAR10), which compare favorably against the latest competitors. Moreover, we study a real-world application of PU learning, i.e., classifying brain images of Alzheimer’s Disease. Self-PU obtains significantly improved results on the renowned Alzheimer’s Disease Neuroimaging Initiative (ADNI) database over existing methods.

Models trained on synthetic images often face degraded generalization to real data. As a convention, these models are often initialized with ImageNet pretrained representation. Yet the role of ImageNet knowledge is seldom discussed despite common practices that leverage this knowledge to maintain the generalization ability. An example is the careful hand-tuning of early stopping and layer-wise learning rates, which is shown to improve synthetic-to-real generalization but is also laborious and heuristic. In this work, we explicitly encourage the synthetically trained model to maintain similar representations with the ImageNet pretrained model, and propose a \emph{learning-to-optimize (L2O)} strategy to automate the selection of layer-wise learning rates. We demonstrate that the proposed framework can significantly improve the synthetic-to-real generalization performance without seeing and training on real data, while also benefiting downstream tasks such as domain adaptation. Code is available at: https://github.com/NVlabs/ASG.

The compression of Generative Adversarial Networks (GANs) has lately drawn attention, due to the increasing demand for deploying GANs into mobile devices for numerous applications such as image translation, enhancement and editing. However, compared to the substantial efforts to compressing other deep models, the research on compressing GANs (usually the generators) remains at its infancy stage. Existing GAN compression algorithms are limited to handling specific GAN architectures and losses. Inspired by the recent success of AutoML in deep compression, we introduce AutoML to GAN compression and develop an AutoGAN-Distiller (AGD) framework. Starting with a specifically designed efficient search space, AGD performs an end-to-end discovery for new efficient generators, given the target computational resource constraints. The search is guided by the original GAN model via knowledge distillation, therefore fulfilling the compression. AGD is fully automatic, standalone (i.e., needing no trained discriminators), and generically applicable to various GAN models. We evaluate AGD in two representative GAN tasks: image translation and super resolution. Without bells and whistles, AGD yields remarkably lightweight yet more competitive compressed models, that largely outperform existing alternatives. Our codes and pretrained models are available at: https://github.com/TAMU-VITA/AGD.

Many real-world applications, such as city scale traffic monitoring and control, requires large scale re-identification. However, previous ReID methods often failed to address two limitations in existing ReID benchmarks, i.e., low spatiotem-poral coverage and sample imbalance. Notwithstanding their demonstrated success in every single benchmark, they have difficulties in generalizing to unseen environments. As a result, these methods are less applicable in a large scale setting due to poor generalization. In seek for a highly generalizable large-scale ReID method, we present an adversarial domain-invariant feature learning framework (ADIN) that explicitly learns to separate identity-related features from challenging variations, where for the first time "free" annotations in ReID data such as video timestamp and camera index are utilized. Furthermore, we find that the imbalance of nuisance classes jeopardizes the adversarial training, and for mitigation we propose a calibrated adversarial loss that is attentive to nuisance distribution. Experiments on existing large-scale person/vehicle ReID datasets demonstrate that ADIN learns more robust and generalizable representations, as evidenced by its outstanding direct transfer performance across datasets, which is a criterion that can better measure the generalizability of large scale Re-ID methods.

Segmentation of ultra-high resolution images is increasingly demanded, yet poses significant challenges for algorithm efficiency, in particular considering the (GPU) memory limits. Current approaches either down-sample an ultra-high resolution image, or crop it into small patches for separate processing. In either way, the loss of local fine details or global contextual information results in limited segmentation accuracy. We propose collaborative Global-Local Networks (GLNet) to effectively preserve both global and local information in a highly memory-efficient manner. GLNet is composed of a global branch and a local branch, taking the down-sampled entire image and its cropped local patches as respective inputs. For segmentation, GLNet deeply fuses feature maps from two branches, capturing both the high-resolution fine structures from zoomed-in local patches and the contextual dependency from the down-sampled input. To further resolve the potential class imbalance problem between background and foreground regions, we present a coarse-to-fine variant of GLNet, also being memory-efficient. Extensive experiments and analyses have been performed on three real-world ultra-high aerial and medical image datasets (resolution up to 30 million pixels). With only one single 1080Ti GPU and less than 2GB memory used, our GLNet yields high-quality segmentation results, and achieves much more competitive accuracy-memory usage trade-offs compared to state-of-the-arts.

Attention mechanisms have been found effective for person re-identification (Re-ID). However, the learned "attentive'' features are often not naturally uncorrelated or "diverse'', which compromises the retrieval performance based on the Euclidean distance. We advocate the complementary powers of attention and diversity for Re-ID, by proposing an Attentive but Diverse Network (ABD-Net). ABD-Net seamlessly integrates attention modules and diversity regularizations throughout the entire network to learn features that are representative, robust, and more discriminative. Specifically, we introduce a pair of complementary attention modules, focusing on channel aggregation and position awareness, respectively. Then, we plug in a novel orthogonality constraint that efficiently enforces diversity on both hidden activations and weights. Through an extensive set of ablation study, we verify that the attentive and diverse terms each contributes to the performance boosts of ABD-Net. It consistently outperforms existing state-of-the-art methods on there popular person Re-ID benchmarks.