OpenRaiser/Intern-Atlas huggingface dataset:
SEA: State-Exchange Attention for High-Fidelity Physics Based Transformers
Venue: Conference NeurIPS 2024
Year: 2024

Current approaches using sequential networks have shown promise in estimating field variables for dynamical systems, but they are often limited by high rollout errors. The unresolved issue of rollout error accumulation results in unreliable estimations as the network predicts further into the future, with each step's error compounding and leading to an increase in inaccuracy. Here, we introduce the State-Exchange Attention (SEA) module, a novel transformer-based module enabling information exchange between encoded fields through multi-head cross-attention. The cross-field multidirectional information exchange design enables all state variables in the system to exchange information with one another, capturing physical relationships and symmetries between fields. Additionally, we introduce an efficient ViT-like mesh autoencoder to generate spatially coherent mesh embeddings for a large number of meshing cells. The SEA integrated transformer demonstrates the state-of-the-art rollout error compared to other competitive baselines. Specifically, we outperform PbGMR-GMUS Transformer-RealNVP and GMR-GMUS Transformer, with a reduction in error of 88% and 91%, respectively. Furthermore, we demonstrate that the SEA module alone can reduce errors by 97% for state variables that are highly dependent on other states of the system. The repository for this work is available at: https://github.com/ParsaEsmati/SEA
ZSC-Eval: An Evaluation Toolkit and Benchmark for Multi-agent Zero-shot Coordination
Venue: Conference NeurIPS 2024
Year: 2024

Zero-shot coordination (ZSC) is a new cooperative multi-agent reinforcement learning (MARL) challenge that aims to train an ego agent to work with diverse, unseen partners during deployment. The significant difference between the deployment-time partners' distribution and the training partners' distribution determined by the training algorithm makes ZSC a unique out-of-distribution (OOD) generalization challenge. The potential distribution gap between evaluation and deployment-time partners leads to inadequate evaluation, which is exacerbated by the lack of appropriate evaluation metrics. In this paper, we present ZSC-Eval, the first evaluation toolkit and benchmark for ZSC algorithms. ZSC-Eval consists of: 1) Generation of evaluation partner candidates through behavior-preferring rewards to approximate deployment-time partners' distribution; 2) Selection of evaluation partners by Best-Response Diversity (BR-Div); 3) Measurement of generalization performance with various evaluation partners via the Best-Response Proximity (BR-Prox) metric. We use ZSC-Eval to benchmark ZSC algorithms in Overcooked and Google Research Football environments and get novel empirical findings. We also conduct a human experiment of current ZSC algorithms to verify the ZSC-Eval's consistency with human evaluation. ZSC-Eval is now available at https://github.com/sjtu-marl/ZSC-Eval.
Improved Distribution Matching Distillation for Fast Image Synthesis
Venue: Conference NeurIPS 2024
Year: 2024

Recent approaches have shown promises distilling diffusion models into efficient one-step generators. Among them, Distribution Matching Distillation (DMD) produces one-step generators that match their teacher in distribution, without enforcing a one-to-one correspondence with the sampling trajectories of their teachers. However, to ensure stable training, DMD requires an additional regression loss computed using a large set of noise-image pairs generated by the teacher with many steps of a deterministic sampler. This is costly for large-scale text-to-image synthesis and limits the student's quality, tying it too closely to the teacher's original sampling paths. We introduce DMD2, a set of techniques that lift this limitation and improve DMD training. First, we eliminate the regression loss and the need for expensive dataset construction. We show that the resulting instability is due to the fake critic not estimating the distribution of generated samples accurately and propose a two time-scale update rule as a remedy. Second, we integrate a GAN loss into the distillation procedure, discriminating between generated samples and real images. This lets us train the student model on real data, mitigating the imperfect real score estimation from the teacher model, and enhancing quality. Lastly, we modify the training procedure to enable multi-step sampling. We identify and address the training-inference input mismatch problem in this setting, by simulating inference-time generator samples during training time. Taken together, our improvements set new benchmarks in one-step image generation, with FID scores of 1.28 on ImageNet-64x64 and 8.35 on zero-shot COCO 2014, surpassing the original teacher despite a 500X reduction in inference cost. Further, we show our approach can generate megapixel images by distilling SDXL, demonstrating exceptional visual quality among few-step methods.
Expert-level protocol translation for self-driving labs
Venue: Conference NeurIPS 2024
Year: 2024

Recent development in Artificial Intelligence (AI) models has propelled their application in scientific discovery, but the validation and exploration of these discoveries require subsequent empirical experimentation. The concept of self-driving laboratories promises to automate and thus boost the experimental process following AI-driven discoveries. However, the transition of experimental protocols, originally crafted for human comprehension, into formats interpretable by machines presents significant challenges, which, within the context of specific expert domain, encompass the necessity for structured as opposed to natural language, the imperative for explicit rather than tacit knowledge, and the preservation of causality and consistency throughout protocol steps. Presently, the task of protocol translation predominantly requires the manual and labor-intensive involvement of domain experts and information technology specialists, rendering the process time-intensive. To address these issues, we propose a framework that automates the protocol translation process through a three-stage workflow, which incrementally constructs Protocol Dependence Graphs (PDGs) that approach structured on the syntax level, completed on the semantics level, and linked on the execution level. Quantitative and qualitative evaluations have demonstrated its performance at par with that of human experts, underscoring its potential to significantly expedite and democratize the process of scientific discovery by elevating the automation capabilities within self-driving laboratories.
Task Confusion and Catastrophic Forgetting in Class-Incremental Learning: A Mathematical Framework for Discriminative and Generative Modelings
Venue: Conference NeurIPS 2024
Year: 2024

In class-incremental learning (class-IL), models must classify all previously seen classes at test time without task-IDs, leading to task confusion. Despite being a key challenge, task confusion lacks a theoretical understanding. We present a novel mathematical framework for class-IL and prove the Infeasibility Theorem, showing optimal class-IL is impossible with discriminative modeling due to task confusion. However, we establish the Feasibility Theorem, demonstrating that generative modeling can achieve optimal class-IL by overcoming task confusion. We then assess popular class-IL strategies, including regularization, bias-correction, replay, and generative classifier, using our framework. Our analysis suggests that adopting generative modeling, either for generative replay or direct classification (generative classifier), is essential for optimal class-IL.
Stepping on the Edge: Curvature Aware Learning Rate Tuners
Venue: Conference NeurIPS 2024
Year: 2024

Curvature information -- particularly, the largest eigenvalue of the loss Hessian, known as the sharpness -- often forms the basis for learning rate tuners. However, recent work has shown that the curvature information undergoes complex dynamics during training, going from a phase of increasing sharpness to eventual stabilization. We analyze the closed-loop feedback effect between learning rate tuning and curvature. We find that classical learning rate tuners may yield greater one-step loss reduction, yet they ultimately underperform in the long term when compared to constant learning rates in the full batch regime. These models break the stabilization of the sharpness, which we explain using a simplified model of the joint dynamics of the learning rate and the curvature. To further investigate these effects, we introduce a new learning rate tuning method, Curvature Dynamics Aware Tuning (CDAT), which prioritizes long term curvature stabilization over instantaneous progress on the objective. In the full batch regime, CDAT shows behavior akin to prefixed warm-up schedules on deep learning objectives, outperforming tuned constant learning rates. In the mini batch regime, we observe that stochasticity introduces confounding effects that explain the previous success of some learning rate tuners at appropriate batch sizes. Our findings highlight the critical role of understanding the joint dynamics of the learning rate and curvature, beyond greedy minimization, to diagnose failures and design effective adaptive learning rate tuners.
MAGNET: Improving the Multilingual Fairness of Language Models with Adaptive Gradient-Based Tokenization
Venue: Conference NeurIPS 2024
Year: 2024

In multilingual settings, non-Latin scripts and low-resource languages are usually disadvantaged in terms of language models' utility, efficiency, and cost. Specifically, previous studies have reported multiple modeling biases that the current tokenization algorithms introduce to non-Latin script languages, the main one being over-segmentation. In this work, we propose MAGNET; multilingual adaptive gradient-based tokenization to reduce over-segmentation via adaptive gradient-based subword tokenization. MAGNET learns to predict segment boundaries between byte tokens in a sequence via sub-modules within the model, which act as internal boundary predictors (tokenizers). Previous gradient-based tokenization methods aimed for uniform compression across sequences by integrating a single boundary predictor during training and optimizing it end-to-end through stochastic reparameterization alongside the next token prediction objective. However, this approach still results in over-segmentation for non-Latin script languages in multilingual settings. In contrast, MAGNET offers a customizable architecture where byte-level sequences are routed through language-script-specific predictors, each optimized for its respective language script. This modularity enforces equitable segmentation granularity across different language scripts compared to previous methods. Through extensive experiments, we demonstrate that in addition to reducing segmentation disparities, MAGNET also enables faster language modelling and improves downstream utility.
Action Gaps and Advantages in Continuous-Time Distributional Reinforcement Learning
Venue: Conference NeurIPS 2024
Year: 2024

When decisions are made at high frequency, traditional reinforcement learning (RL) methods struggle to accurately estimate action values. In turn, their performance is inconsistent and often poor. Whether the performance of distributional RL (DRL) agents suffers similarly, however, is unknown. In this work, we establish that DRL agents are sensitive to the decision frequency. We prove that action-conditioned return distributions collapse to their underlying policy's return distribution as the decision frequency increases. We quantify the rate of collapse of these return distributions and exhibit that their statistics collapse at different rates. Moreover, we define distributional perspectives on action gaps and advantages. In particular, we introduce the superiority as a probabilistic generalization of the advantage -- the core object of approaches to mitigating performance issues in high-frequency value-based RL. In addition, we build a superiority-based DRL algorithm. Through simulations in an option-trading domain, we validate that proper modeling of the superiority distribution produces improved controllers at high decision frequencies.
Sample-efficient Bayesian Optimisation Using Known Invariances
Venue: Conference NeurIPS 2024
Year: 2024

Bayesian optimisation (BO) is a powerful framework for global optimisation of costly functions, using predictions from Gaussian process models (GPs). In this work, we apply BO to functions that exhibit invariance to a known group of transformations. We show that vanilla and constrained BO algorithms are inefficient when optimising such invariant objectives, and provide a method for incorporating group invariances into the kernel of the GP to produce invariance-aware algorithms that achieve significant improvements in sample efficiency. We derive a bound on the maximum information gain of these invariant kernels, and provide novel upper and lower bounds on the number of observations required for invariance-aware BO algorithms to achieve $ε$-optimality. We demonstrate our method's improved performance on a range of synthetic invariant and quasi-invariant functions. We also apply our method in the case where only some of the invariance is incorporated into the kernel, and find that these kernels achieve similar gains in sample efficiency at significantly reduced computational cost. Finally, we use invariant BO to design a current drive system for a nuclear fusion reactor, finding a high-performance solution where non-invariant methods failed.
Enhancing Consistency-Based Image Generation via Adversarialy-Trained Classification and Energy-Based Discrimination
Venue: Conference NeurIPS 2024
Year: 2024

The recently introduced Consistency models pose an efficient alternative to diffusion algorithms, enabling rapid and good quality image synthesis. These methods overcome the slowness of diffusion models by directly mapping noise to data, while maintaining a (relatively) simpler training. Consistency models enable a fast one- or few-step generation, but they typically fall somewhat short in sample quality when compared to their diffusion origins. In this work we propose a novel and highly effective technique for post-processing Consistency-based generated images, enhancing their perceptual quality. Our approach utilizes a joint classifier-discriminator model, in which both portions are trained adversarially. While the classifier aims to grade an image based on its assignment to a designated class, the discriminator portion of the very same network leverages the softmax values to assess the proximity of the input image to the targeted data manifold, thereby serving as an Energy-based Model. By employing example-specific projected gradient iterations under the guidance of this joint machine, we refine synthesized images and achieve an improved FID scores on the ImageNet 64x64 dataset for both Consistency-Training and Consistency-Distillation techniques.
WATT: Weight Average Test Time Adaptation of CLIP
Venue: Conference NeurIPS 2024
Year: 2024

Vision-Language Models (VLMs) such as CLIP have yielded unprecedented performance for zero-shot image classification, yet their generalization capability may still be seriously challenged when confronted to domain shifts. In response, we present Weight Average Test-Time Adaptation (WATT) of CLIP, a pioneering approach facilitating full test-time adaptation (TTA) of this VLM. Our method employs a diverse set of templates for text prompts, augmenting the existing framework of CLIP. Predictions are utilized as pseudo labels for model updates, followed by weight averaging to consolidate the learned information globally. Furthermore, we introduce a text ensemble strategy, enhancing overall test performance by aggregating diverse textual cues. Our findings underscore the efficacy of WATT in enhancing performance across diverse datasets, including CIFAR-10-C, CIFAR-10.1, CIFAR-100-C, VisDA-C, and several other challenging datasets, effectively covering a wide range of domain shifts. Notably, these enhancements are achieved without necessitating additional model transformations or trainable modules. Moreover, compared to other Test-Time Adaptation methods, our approach can operate effectively with just a single image. Highlighting the potential of innovative test-time strategies, this research emphasizes their role in fortifying the adaptability of VLMs. The implementation is available at: \url{https://github.com/Mehrdad-Noori/WATT.git}.
ProbTS: Benchmarking Point and Distributional Forecasting across Diverse Prediction Horizons
Venue: Conference NeurIPS 2024
Year: 2024

Delivering precise point and distributional forecasts across a spectrum of prediction horizons represents a significant and enduring challenge in the application of time-series forecasting within various industries. Prior research on developing deep learning models for time-series forecasting has often concentrated on isolated aspects, such as long-term point forecasting or short-term probabilistic estimations. This narrow focus may result in skewed methodological choices and hinder the adaptability of these models to uncharted scenarios. While there is a rising trend in developing universal forecasting models, a thorough understanding of their advantages and drawbacks, especially regarding essential forecasting needs like point and distributional forecasts across short and long horizons, is still lacking. In this paper, we present ProbTS, a benchmark tool designed as a unified platform to evaluate these fundamental forecasting needs and to conduct a rigorous comparative analysis of numerous cutting-edge studies from recent years. We dissect the distinctive data characteristics arising from disparate forecasting requirements and elucidate how these characteristics can skew methodological preferences in typical research trajectories, which often fail to fully accommodate essential forecasting needs. Building on this, we examine the latest models for universal time-series forecasting and discover that our analyses of methodological strengths and weaknesses are also applicable to these universal models. Finally, we outline the limitations inherent in current research and underscore several avenues for future exploration.
HLM-Cite: Hybrid Language Model Workflow for Text-based Scientific Citation Prediction
Venue: Conference NeurIPS 2024
Year: 2024

Citation networks are critical in modern science, and predicting which previous papers (candidates) will a new paper (query) cite is a critical problem. However, the roles of a paper's citations vary significantly, ranging from foundational knowledge basis to superficial contexts. Distinguishing these roles requires a deeper understanding of the logical relationships among papers, beyond simple edges in citation networks. The emergence of LLMs with textual reasoning capabilities offers new possibilities for discerning these relationships, but there are two major challenges. First, in practice, a new paper may select its citations from gigantic existing papers, where the texts exceed the context length of LLMs. Second, logical relationships between papers are implicit, and directly prompting an LLM to predict citations may result in surface-level textual similarities rather than the deeper logical reasoning. In this paper, we introduce the novel concept of core citation, which identifies the critical references that go beyond superficial mentions. Thereby, we elevate the citation prediction task from a simple binary classification to distinguishing core citations from both superficial citations and non-citations. To address this, we propose $\textbf{HLM-Cite}$, a $\textbf{H}$ybrid $\textbf{L}$anguage $\textbf{M}$odel workflow for citation prediction, which combines embedding and generative LMs. We design a curriculum finetune procedure to adapt a pretrained text embedding model to coarsely retrieve high-likelihood core citations from vast candidates and then design an LLM agentic workflow to rank the retrieved papers through one-shot reasoning, revealing the implicit relationships among papers. With the pipeline, we can scale the candidate sets to 100K papers. We evaluate HLM-Cite across 19 scientific fields, demonstrating a 17.6% performance improvement comparing SOTA methods.
WildVision: Evaluating Vision-Language Models in the Wild with Human Preferences
Venue: Conference NeurIPS 2024
Year: 2024

Recent breakthroughs in vision-language models (VLMs) emphasize the necessity of benchmarking human preferences in real-world multimodal interactions. To address this gap, we launched WildVision-Arena (WV-Arena), an online platform that collects human preferences to evaluate VLMs. We curated WV-Bench by selecting 500 high-quality samples from 8,000 user submissions in WV-Arena. WV-Bench uses GPT-4 as the judge to compare each VLM with Claude-3-Sonnet, achieving a Spearman correlation of 0.94 with the WV-Arena Elo. This significantly outperforms other benchmarks like MMVet, MMMU, and MMStar. Our comprehensive analysis of 20K real-world interactions reveals important insights into the failure cases of top-performing VLMs. For example, we find that although GPT-4V surpasses many other models like Reka-Flash, Opus, and Yi-VL-Plus in simple visual recognition and reasoning tasks, it still faces challenges with subtle contextual cues, spatial reasoning, visual imagination, and expert domain knowledge. Additionally, current VLMs exhibit issues with hallucinations and safety when intentionally provoked. We are releasing our chat and feedback data to further advance research in the field of VLMs.
STONE: A Submodular Optimization Framework for Active 3D Object Detection
Venue: Conference NeurIPS 2024
Year: 2024

3D object detection is fundamentally important for various emerging applications, including autonomous driving and robotics. A key requirement for training an accurate 3D object detector is the availability of a large amount of LiDAR-based point cloud data. Unfortunately, labeling point cloud data is extremely challenging, as accurate 3D bounding boxes and semantic labels are required for each potential object. This paper proposes a unified active 3D object detection framework, for greatly reducing the labeling cost of training 3D object detectors. Our framework is based on a novel formulation of submodular optimization, specifically tailored to the problem of active 3D object detection. In particular, we address two fundamental challenges associated with active 3D object detection: data imbalance and the need to cover the distribution of the data, including LiDAR-based point cloud data of varying difficulty levels. Extensive experiments demonstrate that our method achieves state-of-the-art performance with high computational efficiency compared to existing active learning methods. The code is available at https://github.com/RuiyuM/STONE.