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Applications · Physics

Shiqian Li, Zhi Li, Zhancun Mu, Shiji Xin, Zhixiang Dai, Kuangdai Leng, Rita Zhang, Xiaodong Song, Yixin Zhu

Global seismic tomography, taking advantage of seismic waves from natural earthquakes, provides essential insights into the earth's internal dynamics. Advanced Full-Waveform Inversion (FWI) techniques, whose aim is to meticulously interpret every detail in seismograms, confront formidable computational demands in forward modeling and adjoint simulations on a global scale. Recent advancements in Machine Learning (ML) offer a transformative potential for accelerating the computational efficiency of FWI and extending its applicability to larger scales. This work presents the first 3D global synthetic dataset tailored for seismic wavefield modeling and full-waveform tomography, referred to as the Global Tomography (GlobalTomo) dataset. This dataset is comprehensive, incorporating explicit wave physics and robust geophysical parameterization at realistic global scales, generated through state-of-the-art forward simulations optimized for 3D global wavefield calculations. Through extensive analysis and the establishment of ML baselines, we illustrate that ML approaches are particularly suitable for global FWI, overcoming its limitations with rapid forward modeling and flexible inversion strategies. This work represents a cross-disciplinary effort to enhance our understanding of the earth's interior through physics-ML modeling.

Applications

Yaoyao Xu, Di Wang, Zihan Zhou, Tianshu Yu, Mingchen Chen

Understanding the dynamic behavior of proteins is critical to elucidating their functional mechanisms, yet generating realistic, temporally coherent trajectories of protein ensembles remains a significant challenge. In this work, we introduce a novel hierarchical autoregressive framework for modeling protein dynamics that leverages the intrinsic multi-scale organization of molecular motions. Unlike existing methods that focus on generating static conformational ensembles or treat dynamic sampling as an independent process, our approach characterizes protein dynamics as a Markovian process. The framework employs a two-scale architecture: a low-resolution model captures slow, collective motions driving major conformational transitions, while a high-resolution model generates detailed local fluctuations conditioned on these large-scale movements. This hierarchical design ensures that the causal dependencies inherent in protein dynamics are preserved, enabling the generation of temporally coherent and physically realistic trajectories. By bridging high-level biophysical principles with state-of-the-art generative modeling, our approach provides an efficient framework for simulating protein dynamics that balances computational efficiency with physical accuracy.

Fan LIU, Zherui Yang, Cancheng Liu, Tianrui Song, Xiaofeng Gao, Hao Liu

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical reasoning, which assumes a predefined formulation, modeling requires open-ended problem analysis, abstraction, and principled formalization. While Large Language Models (LLMs) have shown strong reasoning capabilities, they fall short in rigorous model construction, limiting their utility in real-world problem-solving. To this end, we formalize the task of LLM-powered real-world mathematical modeling, where agents must analyze problems, construct domain-appropriate formulations, and generate complete end-to-end solutions.We introduce MM-Bench, a curated benchmark of 111 problems from the Mathematical Contest in Modeling (MCM/ICM), spanning the years 2000 to 2025 and across ten diverse domains such as physics, biology, and economics. To tackle this task, we propose MM-Agent, an expert-inspired framework that decomposes mathematical modeling into four stages: open-ended problem analysis, structured model formulation, computational problem solving, and report generation.Experiments on MM-Bench show that MM-Agent significantly outperforms baseline agents, achieving an 11.88\% improvement over human expert solutions while requiring only 15 minutes and \$0.88 per task using GPT-4o. Furthermore, under official MCM/ICM protocols, MM-Agent assisted two undergraduate teams in winning the Finalist Award (\textbf{top 2.0\% among 27,456 teams}) in MCM/ICM 2025, demonstrating its practical effectiveness as a modeling copilot.

Applications · Robotics

Yifan Xie, Mingyang Li, Shoujie Li, Xingting Li, Guangyu Chen, Fei Ma, Fei Yu, Wenbo Ding

Tactile perception is essential for embodied agents to understand the physical attributes of objects that cannot be determined through visual inspection alone. While existing methods have made progress in visual and language modalities for physical understanding, they fail to effectively incorporate tactile information that provides crucial haptic feedback for real-world interaction. In this paper, we present VTV-LLM, the first multi-modal large language model that enables universal Visuo-Tactile Video (VTV) understanding, bridging the gap between tactile perception and natural language. To address the challenges of cross-sensor and cross-modal integration, we contribute VTV150K, a comprehensive dataset comprising 150,000 video frames from 100 diverse objects captured across three different tactile sensors (GelSight Mini, DIGIT, and Tac3D), annotated with four fundamental tactile attributes (hardness, protrusion, elasticity, and friction). We develop a novel three-stage training paradigm that includes VTV enhancement for robust visuo-tactile representation, VTV-text alignment for cross-modal correspondence, and text prompt finetuning for natural language generation. Our framework enables sophisticated tactile reasoning capabilities including feature assessment, comparative analysis, and scenario-based decision-making. Extensive experimental evaluations demonstrate that VTV-LLM achieves superior performance in tactile reasoning tasks, establishing a foundation for more intuitive human-machine interaction in tactile domains.

Applications · Physics

Hongquan He, Zhen Wang, Jingya Wang, Tao Wu, Xuming He, Bei Yu, Jingyi Yu, Hao GENG

Lithography orchestrates a symphony of light, mask and photochemicals to transfer the integrated circuit patterns onto the wafer. Lithography simulation serves as the critical nexus between circuit design and manufacturing, where its speed and accuracy fundamentally govern the optimization quality of downstream resolution enhancement techniques (RET). While machine learning promises to circumvent computational limitations of lithography process through data-driven or physics-informed approximations of computational lithography, existing simulators suffer from inadequate lithographic awareness due to insufficient training data capturing essential process variations and mask correction rules. We present LithoSim, the most comprehensive lithography simulation benchmark to date, featuring over $4$ million high-resolution input-output pairs with rigorous physical correspondence. The dataset systematically incorporates alterable optical source distributions, metal and via mask topologies with optical proximity correction (OPC) variants, and process windows reflecting fab-realistic variations. By integrating domain-specific metrics spanning AI performance and lithographic fidelity, LithoSim establishes a unified evaluation framework for data-driven and physics-informed computational lithography. The data (https://huggingface.co/datasets/grandiflorum/LithoSim), code (https://dw-hongquan.github.io/LithoSim), and pre-trained models (https://huggingface.co/grandiflorum/LithoSim) are released openly to support the development of hybrid ML-based and high-fidelity lithography simulation for the benefit of semiconductor manufacturing.

Applications · Everything Else

Zitong Lan, Yiduo Hao, Mingmin Zhao

Achieving immersive auditory experiences in virtual environments requires flexible sound modeling that supports dynamic source positions. In this paper, we introduce a task called resounding, which aims to estimate room impulse responses at arbitrary emitter location from a sparse set of measured emitter positions, analogous to the relighting problem in vision. We leverage the reciprocity property and introduce Versa, a physics-inspired approach to facilitating acoustic field learning. Our method creates physically valid samples with dense virtual emitter positions by exchanging emitter and listener poses. We also identify challenges in deploying reciprocity due to emitter/listener gain patterns and propose a self-supervised learning approach to address them. Results show that Versa substantially improve the performance of acoustic field learning on both simulated and real-world datasets across different metrics. Perceptual user studies show that Versa can greatly improve the immersive spatial sound experience.

Applications · Robotics

Yuyang Li, Wenxin Du, Chang Yu, Puhao Li, Zihang Zhao, Tengyu Liu, Chenfanfu Jiang, Yixin Zhu, Siyuan Huang

Tactile sensing is crucial for achieving human-level robotic capabilities in manipulation tasks. As a promising solution, Vision-based Tactile Sensors (VBTSs) offer high spatial resolution and cost-effectiveness, but present unique challenges in robotics for their complex physical characteristics and visual signal processing requirements. The lack of efficient and accurate simulation tools for VBTSs has significantly limited the scale and scope of tactile robotics research. We present Taccel, a high-performance simulation platform that integrates Incremental Potential Contact (IPC) and Affine Body Dynamics (ABD) to model robots, tactile sensors, and objects with both accuracy and unprecedented speed, achieving a total of 915 FPS with 4096 parallel environments. Unlike previous simulators that operate at sub-real-time speeds with limited parallelization, Taccel provides precise physics simulation and realistic tactile signals while supporting flexible robot-sensor configurations through user-friendly APIs. Through extensive validation in object recognition, robotic grasping, and articulated object manipulation, we demonstrate precise simulation and successful sim-to-real transfer. These capabilities position Taccel as a powerful tool for scaling up tactile robotics research and development, potentially transforming how robots interact with and understand their physical environment.

Social Aspects

Xiaoyuan Zhang, Chengdong Ma, Yizhe Huang, Weidong Huang, Siyuan Qi, Song-Chun Zhu, Xue Feng, Yaodong Yang

World models, which explicitly learn environmental dynamics to lay the foundation for planning, reasoning, and decision-making, are rapidly advancing in predicting both physical dynamics and aspects of social behavior, yet predominantly in separate silos. This division results in a systemic failure to model the crucial interplay between physical environments and social constructs, rendering current models fundamentally incapable of adequately addressing the true complexity of real-world systems where physical and social realities are inextricably intertwined. This position paper argues that the systematic, bidirectional unification of physical and social predictive capabilities is the next crucial frontier for world model development. We contend that comprehensive world models must holistically integrate objective physical laws with the subjective, evolving, and context-dependent nature of social dynamics. Such unification is paramount for AI to robustly navigate complex real-world challenges and achieve more generalizable intelligence. This paper substantiates this imperative by analyzing core impediments to integration, proposing foundational guiding principles (ACE Principles), and outlining a conceptual framework alongside a research roadmap towards truly holistic world models.

Social Aspects · Trustworthy Machine Learning

Yichen Wang, Hangtao Zhang, Hewen Pan, Ziqi Zhou, Xianlong Wang, Peijin Guo, Lulu Xue, Shengshan Hu, Minghui Li, Leo Yu Zhang

Vision-Language Models (VLMs), with their strong reasoning and planning capabilities, are widely used in embodied decision-making (EDM) tasks in embodied agents, such as autonomous driving and robotic manipulation. Recent research has increasingly explored adversarial attacks on VLMs to reveal their vulnerabilities. However, these attacks either rely on overly strong assumptions, requiring full knowledge of the victim VLM, which is impractical for attacking VLM-based agents, or exhibit limited effectiveness. The latter stems from disrupting most semantic information in the image, which leads to a misalignment between the perception and the task context defined by system prompts. This inconsistency interrupts the VLM's reasoning process, resulting in invalid outputs that fail to affect interactions in the physical world. To this end, we propose a fine-grained adversarial attack framework, AdvEDM, which modifies the VLM's perception of only a few key objects while preserving the semantics of the remaining regions. This attack effectively reduces conflicts with the task context, making VLMs output valid but incorrect decisions and affecting the actions of agents, thus posing a more substantial safety threat in the physical world. We design two variants of based on this framework, AdvEDM-R and AdvEDM-A, which respectively remove the semantics of a specific object from the image and add the semantics of a new object into the image. The experimental results in both general scenarios and EDM tasks demonstrate fine-grained control and excellent attack performance.

Deep Learning · Everything Else

Sungwoo Park

We introduce Neural Hamiltonian Diffusion, a unified framework for learning stochastic Hamiltonian dynamics on differentiable manifolds. While Hamiltonian Neural Networks (HNNs) model conservative systems in flat Euclidean space, they fail to account for geometric structure and intrinsic stochasticity. Conversely, diffusion models on Riemannian manifolds offer geometry-aware stochastic modeling but lack physical inductive biases. Our method parameterizes a Hamiltonian with a neural network and defines its dynamics as a stochastic differential equation on a (pseudo-)Riemannian manifold equipped with a Poisson structure. This enables physically consistent modeling of dynamics on curved, periodic, or causally structured spaces. We demonstrate that the proposed geometric dynamics generalizes existing approaches and applies to systems ranging from molecular dynamics to relativistic n-body problems.

Optimization · Neural Network Optimization

Dmitriy Shopkhoev, Ammar Ali, Magauiya Zhussip, Valentin Malykh, Stamatios Lefkimmiatis, Nikos Komodakis, Sergey Zagoruyko

We introduce ReplaceMe, a generalized training-free depth pruning method that effectively replaces transformer blocks with a linear operation, while maintaining high performance for low compression ratios. In contrast to conventional pruning approaches that require additional training or fine-tuning, our approach requires only a small calibration dataset that is used to estimate a linear transformation, which approximates the pruned blocks. The estimated linear mapping can be seam- lessly merged with the remaining transformer blocks, eliminating the need for any additional network parameters. Our experiments show that ReplaceMe consistently outperforms other training-free approaches and remains highly competitive with state-of-the-art pruning methods that involve extensive retraining/fine-tuning and architectural modifications. Applied to several large language models (LLMs), ReplaceMe achieves up to 25% pruning while retaining approximately 90% of the original model’s performance on open benchmarks—without any training or healing steps, resulting in minimal computational overhead. We provide an open- source library implementing ReplaceMe alongside several state-of-the-art depth pruning techniques, available at https://github.com/mts-ai/ReplaceMe.

Optimization · Large Scale, Parallel and Distributed

Guoliang He, Youhe Jiang, Wencong Xiao, Jiang Kaihua, Shuguang Wang, Jun Wang, Du Zixian, Zhuo Jiang, Xinlei Zhang, Binhang Yuan 等

The scaling law for large language models (LLMs) depicts that the path towards machine intelligence necessitates training at large scale. Thus, companies continuously build large-scale GPU clusters, and launch training jobs that span over thousands of computing nodes. However, LLM pre-training presents unique challenges due to its complex communication patterns, where GPUs exchange data in sparse yet high-volume bursts within specific groups. Inefficient resource scheduling exacerbates bandwidth contention, leading to suboptimal training performance. This paper presents Arnold, a scheduling system summarizing our experience to effectively align LLM communication patterns to data center topology at scale. In-depth characteristic study is performed to identify the impact of physical network topology to LLM pre-training jobs. Based on the insights, we develop a scheduling algorithm to effectively align communication patterns to physical network topology in data centers. Through simulation experiments, we show the effectiveness of our algorithm in reducing the maximum spread of communication groups by up to $1.67$x. In production training, our scheduling system improves the end-to-end performance by $10.6\%$ when training with more than $9600$ Hopper GPUs, a significant improvement for our training pipeline.

Computer Vision · Image and Video Generation

Xiangdong Zhang, Jiaqi Liao, Shaofeng Zhang, Fanqing Meng, Xiangpeng Wan, Junchi Yan, Yu Cheng

Recent advancements in text-to-video (T2V) diffusion models have enabled high-fidelity and realistic video synthesis. However, current T2V models often struggle to generate physically plausible content due to their limited inherent ability to accurately understand physics. We found that while the representations within T2V models possess some capacity for physics understanding, they lag significantly behind those from recent video self-supervised learning methods. To this end, we propose a novel framework called {VideoREPA}, which distills physics understanding capability from video understanding foundation models into T2V models by aligning token-level relations. This closes the physics understanding gap and enables more physics-plausible generation. Specifically, we introduce the {Token Relation Distillation (TRD) loss}, leveraging spatio-temporal alignment to provide soft guidance suitable for finetuning powerful pre-trained T2V models—a critical departure from prior representation alignment (REPA) methods. To our knowledge, VideoREPA is the first REPA method designed for finetuning T2V models and specifically for injecting physical knowledge. Empirical evaluations show that VideoREPA substantially enhances the physics commonsense of baseline method, CogVideoX, achieving significant improvement on relevant benchmarks and demonstrating a strong capacity for generating videos consistent with intuitive physics. Code and more video results are available at https://videorepa.github.io/.

Applications · Physics

Jiachen Yao, Abbas Mammadov, Julius Berner, Gavin Kerrigan, Jong Chul Ye, Kamyar Azizzadenesheli, Animashree Anandkumar

We propose a general framework for conditional sampling in PDE-based inverse problems, targeting the recovery of whole solutions from extremely sparse or noisy measurements. This is accomplished by a function-space diffusion model and plug-and-play guidance for conditioning. Our method first trains an unconditional discretization-agnostic denoising model using neural operator architectures. At inference, we refine the samples to satisfy sparse observation data via a gradient-based guidance mechanism. Through rigorous mathematical analysis, we extend Tweedie's formula to infinite-dimensional Hilbert spaces, providing the theoretical foundation for our posterior sampling approach. Our method (FunDPS) accurately captures posterior distribution in function spaces under minimal supervision and severe data scarcity. Across five PDE tasks with only 3\% observation, our method achieves an average 32\% accuracy improvement over state-of-the-art fixed-resolution diffusion baselines while reducing sampling steps by 4x. Furthermore, multi-resolution fine-tuning ensures strong cross-resolution generalizability and speedup. To the best of our knowledge, this is the first diffusion-based framework to operate independently of discretization, offering a practical and flexible solution for forward and inverse problems in the context of PDEs. Code is available at https://github.com/neuraloperator/FunDPS.

Deep Learning · Theory

Zeyuan Allen-Zhu

Understanding architectural differences in language models is challenging, especially at academic-scale pretraining (e.g., 1.3B parameters, 100B tokens), where results are often dominated by noise and randomness. To overcome this, we introduce controlled synthetic pretraining tasks that isolate and evaluate core model capabilities. Within this framework, we discover \emph{Canon layers}: lightweight architectural components—named after the musical term ``canon''—that promote horizontal information flow across neighboring tokens. Canon layers compute weighted sums of nearby token representations and integrate seamlessly into Transformers, linear attention, state-space models, or any sequence architecture. We present 12 key results. This includes how Canon layers enhance reasoning depth (e.g., by $2\times$), reasoning breadth, knowledge manipulation, etc. They lift weak architectures like NoPE to match RoPE, and linear attention to rival SOTA linear models like Mamba2/GDN—validated both through synthetic tasks and real-world academic-scale pretraining. This synthetic playground offers an \emph{economical, principled path} to isolate core model capabilities often obscured at academic scales. Equipped with infinite high-quality data, it may even \emph{predict} how future architectures will behave as training pipelines improve—e.g., through better data curation or RL-based post-training—unlocking deeper reasoning and hierarchical inference.

Applications · Physics

Yiming Huang, Yajie Hao, Yuxuan Du, Jing Zhou, Xiao Yuan, Xiaoting Wang

Variational Quantum Algorithms (VQAs) are emerging as leading strategies with the potential to unlock practical applications and deliver significant advantages in the investigation of many-body quantum systems and quantum chemistry. A key challenge hindering the application of VQAs to large-scale problems is rooted in the no-cloning theorem in quantum mechanics, precluding standard backpropagation and leading to prohibitive quantum resource expenditure such as measurement cost. To address this challenge, we reformulate the training dynamics of VQAs as a non-linear partial differential equation and propose a novel protocol that leverages physics-informed neural networks (PINNs) to model this dynamical system efficiently. Given a small amount of training trajectory data collected from quantum devices, our protocol predicts the parameter updates of VQAs over multiple iterations on the classical side, dramatically reducing quantum resource costs. Through systematic numerical experiments, we demonstrate that our method achieves up to a 30x speedup compared to conventional methods and reduces quantum resource costs by as much as 90\% for tasks involving up to 40 qubits, including ground state preparation of different quantum systems, while maintaining competitive accuracy. Our approach complements existing techniques aimed at improving the efficiency of VQAs and further strengthens their potential for practical applications.

Computer Vision · Vision Models & Multimodal

Yang Liu, Chuanchen Luo, Zimo Tang, Yingyan Li, yuran Yang, Yuanyong Ning, Lue Fan, Junran Peng, ZHAO-XIANG ZHANG

Illumination and texture rerendering are critical dimensions for world-to-world transfer, which is valuable for applications including sim2real and real2real visual data scaling up for embodied AI. Existing techniques generatively re-render the input video to realize the transfer, such as video relighting models and conditioned world generation models. Nevertheless, these models are predominantly limited to the domain of training data (e.g., portrait) or fall into the bottleneck of temporal consistency and computation efficiency, especially when the input video involves complex dynamics and long durations. In this paper, we propose **TC-Light**, a novel paradigm characterized by the proposed two-stage post optimization mechanism. Starting from the video preliminarily relighted by an inflated video relighting model, it optimizes appearance embedding in the first stage to align global illumination. Then it optimizes the proposed canonical video representation, i.e., **Unique Video Tensor (UVT)**, to align fine-grained texture and lighting in the second stage. To comprehensively evaluate performance, we also establish a long and highly dynamic video benchmark. Extensive experiments show that our method enables physically plausible re-rendering results with superior temporal coherence and low computation cost. The code and video demos are available at our [Project Page](https://dekuliutesla.github.io/tclight/).

Computer Vision · 3D Rendering & Reconstruction

Yumeng He, Yunbo Wang

Out-of-distribution (OOD) 3D relighting requires novel view synthesis under unseen lighting conditions that differ significantly from the observed images. Existing relighting methods, which assume consistent light source distributions between training and testing, often degrade in OOD scenarios. We introduce **MetaGS** to tackle this challenge from two perspectives. First, we propose a meta-learning approach to train 3D Gaussian splatting, which explicitly promotes learning generalizable Gaussian geometries and appearance attributes across diverse lighting conditions, even with biased training data. Second, we embed fundamental physical priors from the *Blinn-Phong* reflection model into Gaussian splatting, which enhances the decoupling of shading components and leads to more accurate 3D scene reconstruction. Results on both synthetic and real-world datasets demonstrate the effectiveness of MetaGS in challenging OOD relighting tasks, supporting efficient point-light relighting and generalizing well to unseen environment lighting maps.

Applications · Physics

Hong Wang, Haiyang Xin, Jie Wang, Xuanze Yang, Fei Zha, huanshuo dong, Yan Jiang

Pre-training has proven effective in addressing data scarcity and performance limitations in solving PDE problems with neural operators. However, challenges remain due to the heterogeneity of PDE datasets in equation types, which leads to high errors in mixed training. Additionally, dense pre-training models that scale parameters by increasing network width or depth incur significant inference costs. To tackle these challenges, we propose a novel **M**ixture-**o**f-**E**xperts **P**re-training **O**perator **T**ransformer (**MoE-POT**), a sparse-activated architecture that scales parameters efficiently while controlling inference costs. Specifically, our model adopts a layer-wise router-gating network to dynamically select 4 routed experts from 16 expert networks during inference, enabling the model to focus on equation-specific features. Meanwhile, we also integrate 2 shared experts, aiming to capture common properties of PDE and reduce redundancy among routed experts. The final output is computed as the weighted average of the results from all activated experts. We pre-train models with parameters from 30M to 0.5B on 6 public PDE datasets. Our model with 90M activated parameters achieves up to a 40\% reduction in zero-shot error compared with existing models with 120M activated parameters. Additionally, we conduct interpretability analysis, showing that dataset types can be inferred from router-gating network decisions, which validates the rationality and effectiveness of the MoE architecture.

Computer Vision · 3D Rendering & Reconstruction

Xingyu Liu, Pengfei Ren, Qi Qi, Haifeng Sun, Zirui Zhuang, Jing Wang, Jianxin Liao, Jingyu Wang

Recent advances in hand-object interaction modeling have employed implicit representations, such as Signed Distance Functions (SDF) and Neural Radiance Fields (NeRF) to reconstruct hands and objects with arbitrary topology and photo-realistic detail. However, these methods often rely on dense 3D surface annotations, or are tailored to short clips constrained in motion trajectories and scene contexts, limiting their generalization to diverse environments and movement patterns. In this work, we present HOGS, an adaptively perceptive 3D Gaussian Splatting (3DGS) framework for generalizable hand-object modeling from unconstrained monocular RGB images. By integrating photometric cues from the visual modality with the physically grounded structure of 3D Gaussians, HOGS disentangles inherent geometry from transient lighting and motion-induced appearance changes. This endows hand-object assets with the ability to generalize to unseen environments and dynamic motion patterns. Experiments on two challenging datasets demonstrate that HOGS outperforms state-of-the-art methods in monocular hand-object reconstruction and photo-realistic rendering.