Harvard University
Abstract:We introduce PHYBench, a novel, high-quality benchmark designed for evaluating reasoning capabilities of large language models (LLMs) in physical contexts. PHYBench consists of 500 meticulously curated physics problems based on real-world physical scenarios, designed to assess the ability of models to understand and reason about realistic physical processes. Covering mechanics, electromagnetism, thermodynamics, optics, modern physics, and advanced physics, the benchmark spans difficulty levels from high school exercises to undergraduate problems and Physics Olympiad challenges. Additionally, we propose the Expression Edit Distance (EED) Score, a novel evaluation metric based on the edit distance between mathematical expressions, which effectively captures differences in model reasoning processes and results beyond traditional binary scoring methods. We evaluate various LLMs on PHYBench and compare their performance with human experts. Our results reveal that even state-of-the-art reasoning models significantly lag behind human experts, highlighting their limitations and the need for improvement in complex physical reasoning scenarios. Our benchmark results and dataset are publicly available at https://phybench-official.github.io/phybench-demo/.
Abstract:Data centers (DCs) as mission-critical infrastructures are pivotal in powering the growth of artificial intelligence (AI) and the digital economy. The evolution from Internet DC to AI DC has introduced new challenges in operating and managing data centers for improved business resilience and reduced total cost of ownership. As a result, new paradigms, beyond the traditional approaches based on best practices, must be in order for future data centers. In this research, we propose and develop a novel Physical AI (PhyAI) framework for advancing DC operations and management. Our system leverages the emerging capabilities of state-of-the-art industrial products and our in-house research and development. Specifically, it presents three core modules, namely: 1) an industry-grade in-house simulation engine to simulate DC operations in a highly accurate manner, 2) an AI engine built upon NVIDIA PhysicsNemo for the training and evaluation of physics-informed machine learning (PIML) models, and 3) a digital twin platform built upon NVIDIA Omniverse for our proposed 5-tier digital twin framework. This system presents a scalable and adaptable solution to digitalize, optimize, and automate future data center operations and management, by enabling real-time digital twins for future data centers. To illustrate its effectiveness, we present a compelling case study on building a surrogate model for predicting the thermal and airflow profiles of a large-scale DC in a real-time manner. Our results demonstrate its superior performance over traditional time-consuming Computational Fluid Dynamics/Heat Transfer (CFD/HT) simulation, with a median absolute temperature prediction error of 0.18 {\deg}C. This emerging approach would open doors to several potential research directions for advancing Physical AI in future DC operations.
Abstract:Video generation models have achieved remarkable progress in the past year. The quality of AI video continues to improve, but at the cost of larger model size, increased data quantity, and greater demand for training compute. In this report, we present Open-Sora 2.0, a commercial-level video generation model trained for only $200k. With this model, we demonstrate that the cost of training a top-performing video generation model is highly controllable. We detail all techniques that contribute to this efficiency breakthrough, including data curation, model architecture, training strategy, and system optimization. According to human evaluation results and VBench scores, Open-Sora 2.0 is comparable to global leading video generation models including the open-source HunyuanVideo and the closed-source Runway Gen-3 Alpha. By making Open-Sora 2.0 fully open-source, we aim to democratize access to advanced video generation technology, fostering broader innovation and creativity in content creation. All resources are publicly available at: https://github.com/hpcaitech/Open-Sora.
Abstract:Embodied AI systems, including robots and autonomous vehicles, are increasingly integrated into real-world applications, where they encounter a range of vulnerabilities stemming from both environmental and system-level factors. These vulnerabilities manifest through sensor spoofing, adversarial attacks, and failures in task and motion planning, posing significant challenges to robustness and safety. Despite the growing body of research, existing reviews rarely focus specifically on the unique safety and security challenges of embodied AI systems. Most prior work either addresses general AI vulnerabilities or focuses on isolated aspects, lacking a dedicated and unified framework tailored to embodied AI. This survey fills this critical gap by: (1) categorizing vulnerabilities specific to embodied AI into exogenous (e.g., physical attacks, cybersecurity threats) and endogenous (e.g., sensor failures, software flaws) origins; (2) systematically analyzing adversarial attack paradigms unique to embodied AI, with a focus on their impact on perception, decision-making, and embodied interaction; (3) investigating attack vectors targeting large vision-language models (LVLMs) and large language models (LLMs) within embodied systems, such as jailbreak attacks and instruction misinterpretation; (4) evaluating robustness challenges in algorithms for embodied perception, decision-making, and task planning; and (5) proposing targeted strategies to enhance the safety and reliability of embodied AI systems. By integrating these dimensions, we provide a comprehensive framework for understanding the interplay between vulnerabilities and safety in embodied AI.
Abstract:Federated Learning (FL) enables deep learning model training across edge devices and protects user privacy by retaining raw data locally. Data heterogeneity in client distributions slows model convergence and leads to plateauing with reduced precision. Clustered FL solutions address this by grouping clients with statistically similar data and training models for each cluster. However, maintaining consistent client similarity within each group becomes challenging when data drifts occur, significantly impacting model accuracy. In this paper, we introduce Fielding, a clustered FL framework that handles data drifts promptly with low overheads. Fielding detects drifts on all clients and performs selective label distribution-based re-clustering to balance cluster optimality and model performance, remaining robust to malicious clients and varied heterogeneity degrees. Our evaluations show that Fielding improves model final accuracy by 1.9%-5.9% and reaches target accuracies 1.16x-2.61x faster.
Abstract:Recently, a noticeable trend has emerged in developing pre-trained foundation models in the domains of CV and NLP. However, for molecular pre-training, there lacks a universal model capable of effectively applying to various categories of molecular tasks, since existing prevalent pre-training methods exhibit effectiveness for specific types of downstream tasks. Furthermore, the lack of profound understanding of existing pre-training methods, including 2D graph masking, 2D-3D contrastive learning, and 3D denoising, hampers the advancement of molecular foundation models. In this work, we provide a unified comprehension of existing pre-training methods through the lens of contrastive learning. Thus their distinctions lie in clustering different views of molecules, which is shown beneficial to specific downstream tasks. To achieve a complete and general-purpose molecular representation, we propose a novel pre-training framework, named UniCorn, that inherits the merits of the three methods, depicting molecular views in three different levels. SOTA performance across quantum, physicochemical, and biological tasks, along with comprehensive ablation study, validate the universality and effectiveness of UniCorn.
Abstract:The binding between proteins and ligands plays a crucial role in the realm of drug discovery. Previous deep learning approaches have shown promising results over traditional computationally intensive methods, but resulting in poor generalization due to limited supervised data. In this paper, we propose to learn protein-ligand binding representation in a self-supervised learning manner. Different from existing pre-training approaches which treat proteins and ligands individually, we emphasize to discern the intricate binding patterns from fine-grained interactions. Specifically, this self-supervised learning problem is formulated as a prediction of the conclusive binding complex structure given a pocket and ligand with a Transformer based interaction module, which naturally emulates the binding process. To ensure the representation of rich binding information, we introduce two pre-training tasks, i.e.~atomic pairwise distance map prediction and mask ligand reconstruction, which comprehensively model the fine-grained interactions from both structure and feature space. Extensive experiments have demonstrated the superiority of our method across various binding tasks, including protein-ligand affinity prediction, virtual screening and protein-ligand docking.
Abstract:Large language models (LLMs) often contain misleading content, emphasizing the need to align them with human values to ensure secur AI systems. Reinforcement learning from human feedback (RLHF) has been employed to achieve this alignment by combining a reward model, typically based on Bradley-Terry paired comparison, with an RL algorithm such as Proximal Policy Optimization (PPO) to optimize LLM responses. However, RLHF exhibits complexity, instability, and sensitivity to hyperparameters. In this paper, we propose Preference Ranking Optimization (PRO) as an alternative to PPO for directly aligning LLMs with the Bradley-Terry comparison. PRO extends the pairwise Bradley-Terry comparison to accommodate preference rankings of any length. By iteratively contrasting the likelihood of generating responses, PRO instructs the LLM to prioritize the best response while progressively ranking the remaining responses. In this manner, PRO effectively transforms human alignment into aligning the probability ranking of $n$ responses generated by LLM with the preference ranking of humans towards these responses. Experiments have shown that PRO outperforms existing alignment algorithms, achieving comparable results to ChatGPT and human responses through automatic-based, reward-based, GPT-4, and human evaluations. Furthermore, we demonstrate that longer, more diverse, and higher-quality preference ranking sequences can consistently enhance the performance of human alignment.
Abstract:Recently, talking face generation has drawn ever-increasing attention from the research community in computer vision due to its arduous challenges and widespread application scenarios, e.g. movie animation and virtual anchor. Although persevering efforts have been undertaken to enhance the fidelity and lip-sync quality of generated talking face videos, there is still large room for further improvements of synthesis quality and efficiency. Actually, these attempts somewhat ignore the explorations of fine-granularity feature extraction/integration and the consistency between probability distributions of landmarks, thereby recurring the issues of local details blurring and degraded fidelity. To mitigate these dilemmas, in this paper, a novel CLIP-based Attention and Probability Map Guided Network (CPNet) is delicately designed for inferring high-fidelity talking face videos. Specifically, considering the demands of fine-grained feature recalibration, a clip-based attention condenser is exploited to transfer knowledge with rich semantic priors from the prevailing CLIP model. Moreover, to guarantee the consistency in probability space and suppress the landmark ambiguity, we creatively propose the density map of facial landmark as auxiliary supervisory signal to guide the landmark distribution learning of generated frame. Extensive experiments on the widely-used benchmark dataset demonstrate the superiority of our CPNet against state of the arts in terms of image and lip-sync quality. In addition, a cohort of studies are also conducted to ablate the impacts of the individual pivotal components.
Abstract:Recent research has shown that Large Language Models (LLMs) can utilize external tools to improve their contextual processing abilities, moving away from the pure language modeling paradigm and paving the way for Artificial General Intelligence. Despite this, there has been a lack of systematic evaluation to demonstrate the efficacy of LLMs using tools to respond to human instructions. This paper presents API-Bank, the first benchmark tailored for Tool-Augmented LLMs. API-Bank includes 53 commonly used API tools, a complete Tool-Augmented LLM workflow, and 264 annotated dialogues that encompass a total of 568 API calls. These resources have been designed to thoroughly evaluate LLMs' ability to plan step-by-step API calls, retrieve relevant APIs, and correctly execute API calls to meet human needs. The experimental results show that GPT-3.5 emerges the ability to use the tools relative to GPT3, while GPT-4 has stronger planning performance. Nevertheless, there remains considerable scope for further improvement when compared to human performance. Additionally, detailed error analysis and case studies demonstrate the feasibility of Tool-Augmented LLMs for daily use, as well as the primary challenges that future research needs to address.