Video generation models have achieved remarkable progress in creating high-quality, photorealistic content. However, their ability to accurately simulate physical phenomena remains a critical and unresolved challenge. This paper presents $PhyWorldBench$ , a comprehensive benchmark designed to evaluate video generation models based on their adherence to the laws of physics. The benchmark covers multiple levels of physical phenomena, ranging from fundamental principles like object motion and energy conservation to more complex scenarios involving rigid body interactions and human or animal motion. Additionally, we introduce a novel "Anti-Physics" category, where prompts intentionally violate real-world physics, enabling the assessment of whether models can follow such instructions while maintaining logical consistency. Besides large-scale human evaluation, we also design a simple yet effective method that could utilize current MLLM to evaluate the physics realism in a zero-shot fashion. We evaluate 10 state-of-the-art text-to-video generation models, including five open-source and five proprietary models, with a detailed comparison and analysis. we identify pivotal challenges models face in adhering to real-world physics. Through systematic testing of their outputs across 1,050 curated prompts—spanning fundamental, composite, and anti-physics scenarios—we identify pivotal challenges these models face in adhering to real-world physics. We then rigorously examine their performance on diverse physical phenomena with varying prompt types, deriving targeted recommendations for crafting prompts that enhance fidelity to physical principles.
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Applications · Genetics, Cell Biology, Health, etc
CD8+ “killer” T cells and CD4+ “helper” T cells play a central role in the adaptive immune system by recognizing antigens presented by Major Histocompatibility Complex (pMHC) molecules via T Cell Receptors (TCRs). Modeling binding between T cells and the pMHC complex is fundamental to understanding basic mechanisms of human immune response as well as in developing therapies. While transformer-based models such as TULIP have achieved impressive performance in this domain, their black-box nature precludes interpretability and thus limits a deeper mechanistic understanding of T cell response. Most existing post-hoc explainable AI (xAI) methods are confined to encoder-only, co-attention, or model-specific architectures and cannot handle encoder-decoder transformers used in TCR-pMHC modeling. To address this gap, we propose Quantifying Cross-Attention Interaction (QCAI), a new post-hoc method designed to interpret the cross-attention mechanisms in transformer decoders. Quantitative evaluation is a challenge for XAI methods; we have compiled TCR-XAI, a benchmark consisting of 274 experimentally determined TCR-pMHC structures to serve as ground truth for binding. Using these structures we compute physical distances between relevant amino acid residues in the TCR-pMHC interaction region and evaluate how well our method and others estimate the importance of residues in this region across the dataset. We show that QCAI achieves state-of-the-art performance on both interpretability and prediction accuracy under the TCR-XAI benchmark.
Social Aspects · Fairness, Equity, Justice and Safety
Large language models (LLMs) exhibit advancing capabilities in complex tasks, such as reasoning and graduate-level question answering, yet their resilience against misuse, particularly involving scientifically sophisticated risks, remains underexplored. Existing safety benchmarks typically focus either on instructions requiring minimal knowledge comprehension (e.g., ``tell me how to build a bomb") or utilize prompts that are relatively low-risk (e.g., multiple-choice or classification tasks about hazardous content). Consequently, they fail to adequately assess model safety when handling knowledge-intensive, hazardous scenarios. To address this critical gap, we introduce SOSBench, a regulation-grounded, hazard-focused benchmark encompassing six high-risk scientific domains: chemistry, biology, medicine, pharmacology, physics, and psychology. The benchmark comprises 3,000 prompts derived from real-world regulations and laws, systematically expanded via an LLM-assisted evolutionary pipeline that introduces diverse, realistic misuse scenarios (e.g., detailed explosive synthesis instructions involving advanced chemical formulas). We evaluate frontier models within a unified evaluation framework using our SOSBench. Despite their alignment claims, advanced models consistently disclose policy-violating content across all domains, demonstrating alarmingly high rates of harmful responses (e.g., 84.9% for Deepseek-R1 and 50.3% for GPT-4.1). These results highlight significant safety alignment deficiencies and underscore urgent concerns regarding the responsible deployment of powerful LLMs.
Applications · Physics
Pre-trained materials foundation models, or machine learning interatomic potentials, leverage general physicochemical knowledge to effectively approximate potential energy surfaces. However, they often require domain-specific calibration due to physicochemical diversity as well as mismatches between practical computational settings and those used in constructing the pre-training data. To address this, we propose a sparsity-promoting fine-tuning method that selectively updates model parameters by exploiting the structural properties of E(3)-equivariant materials foundation models. On energy and force prediction tasks across molecular and crystalline benchmarks, our method matches or surpasses full fine-tuning and equivariant low-rank adaptation while updating only ~3 \% of parameters, and in some cases as little as \~0.5 \%. Beyond energy and force calibration, we further demonstrate task generalizability by applying our method to magnetic moment prediction and magnetism-aware total energy modeling. Finally, analysis of sparsity patterns reveals physically interpretable signatures, such as enhanced $d$-orbital contributions in transition metal systems. Overall, our results establish sparsity-promoting fine-tuning as a flexible and interpretable method for domain specialization of equivariant materials foundation models.
Applications · Climate
Accurate prediction of extreme wind velocities has substantial significance in industry, particularly for the operation management of wind power plants. Although the state-of-the-art data-driven models perform well for general meteorological forecasting, they may exhibit large errors for extreme weather—for example, systematically underestimating the magnitudes and short-term variation of extreme winds. To address this issue, we conduct a theoretical analysis of how the data frequency spectrum influences errors in extreme wind prediction. Based on these insights, we propose a novel loss function that incorporates a gradient penalty to mitigate the magnitude shrinkage of extreme weather, and we theoretically justify its effectiveness via a PDE-based energy–enstrophy analysis. To capture more precise short-term wind velocity variations, we design a novel structure of physics-embedded machine learning models with frequency reweighting. Experiments demonstrate that, compared to the baseline models, our approach achieves significant improvements in predicting extreme wind velocities while maintaining robust overall performance.
Applications · Chemistry and Drug Discovery
Accurate prediction of protein-ligand binding affinities remains a cornerstone problem in drug discovery. While binding affinity is inherently dictated by the 3D structure and dynamics of protein-ligand complexes, current deep learning approaches are limited by the lack of high-quality experimental structures with annotated binding affinities. To address this limitation, we introduce the Structurally Augmented IC50 Repository (SAIR), the largest publicly available dataset of protein-ligand 3D structures with associated activity data. The dataset comprises $5,244,285$ structures across $1,048,857$ unique protein-ligand systems, curated from the ChEMBL and BindingDB databases, which were then computationally folded using the Boltz-1x model. We provide a comprehensive characterization of the dataset, including distributional statistics of proteins and ligands, and evaluate the structural fidelity of the folded complexes using PoseBusters. Our analysis reveals that approximately $3 \%$ of structures exhibit physical anomalies, predominantly related to internal energy violations. As an initial demonstration, we benchmark several binding affinity prediction methods, including empirical scoring functions (Vina, Vinardo), a 3D convolutional neural network (Onionnet-2), and a graph neural network (AEV-PLIG). While machine learning-based models consistently outperform traditional scoring function methods, neither exhibit a high correlation with ground truth affinities, highlighting the need for models specifically fine-tuned to synthetic structure distributions. This work provides a foundation for developing and evaluating next-generation structure and binding-affinity prediction models and offers insights into the structural and physical underpinnings of protein-ligand interactions. The link to the data will be added upon publication, to preserve anonymity of the submission.
Applications · Robotics
Vision-language-action (VLA) models have recently shown strong potential in enabling robots to follow language instructions and execute precise actions. However, most VLAs are built upon vision-language models pretrained solely on 2D data, which lack accurate spatial awareness and hinder their ability to operate in the 3D physical world. Existing solutions attempt to incorporate explicit 3D sensor inputs such as depth maps or point clouds, but these approaches face challenges due to sensor noise, hardware heterogeneity, and incomplete depth coverage in existing datasets. Alternative methods that estimate 3D cues from 2D images also suffer from the limited performance of depth estimators. We propose Spatial Forcing (SF), a simple yet effective alignment strategy that implicitly forces VLA models to develop spatial comprehension capabilities without relying on explicit 3D inputs or depth estimators. SF aligns intermediate visual embeddings of VLAs with geometric representations produced by pretrained 3D foundation models. By enforcing alignment at intermediate layers, SF guides VLAs to encode richer spatial representations that enhance action precision. Extensive experiments in simulation and real-world environments demonstrate that SF achieves state-of-the-art results, surpassing both 2D- and 3D-based VLAs. SF further accelerates training by up to 3.8× and improves data efficiency across diverse robotic tasks.
Computer Vision · 3D Rendering & Reconstruction
Modeling wind-driven object dynamics from video observations is highly challenging due to the invisibility and spatio–temporal variability of wind, as well as the complex deformations of objects. We present DiffWind, a physics-informed differentiable framework that unifies wind–object interaction modeling, video-based reconstruction, and forward simulation. Specifically, we represent wind as a grid-based physical field and objects as particle systems derived from 3D Gaussian Splatting, with their interaction modeled by the Material Point Method (MPM). To recover wind-driven object dynamics, we introduce a reconstruction framework that jointly optimizes the spatio–temporal wind force field and object motion through differentiable rendering and simulation. To ensure physical validity, we incorporate the Lattice Boltzmann Method (LBM) as a physics-informed constraint, enforcing compliance with fluid dynamics laws. Beyond reconstruction, our method naturally supports forward simulation under novel wind conditions and enable new applications such as wind retargeting. We further introduce WD-Objects, a dataset of synthetic and real-world wind-driven scenes. Extensive experiments demonstrate that our method significantly outperforms prior dynamic scene modeling approaches in both reconstruction accuracy and simulation fidelity, opening a new avenue for video-based wind–object interaction modeling. The project page is available at: [https://zju3dv.github.io/DiffWind/](https://zju3dv.github.io/DiffWind/).
Deep Learning · Robustness
Given the importance of building robust machine learning models, considerable efforts have recently been put into developing training strategies that achieve robustness to outliers and adversarial attacks. Yet, a major aspect that remains an open problem is systematic robustness to global forms of noise such as those that come from measurements and quantization. Hence, we propose in this work an approach to train regression models from data with additive forms of noise, leveraging the Wasserstein distance as a loss function. Importantly, our approach is agnostic to the model structure, unlike the increasingly popular Wasserstein Distributionally Robust Learning paradigm (WDRL) which, we show, does not achieve improved robustness when the regression function is not convex or Lipschitz. We provide a theoretical analysis of the scaling of the regression functions in terms of the variance of the noise, for both formulations and show consistency of the proposed loss function. Lastly, we conclude with numerical experiments on physical PDE Benchmarks and electric grid data, demonstrating competitive performance with an order of magnitude reduction in computational cost.
Applications · Robotics
Reinforcement learning (RL) is widely used for humanoid control, with on-policy methods such as Proximal Policy Optimization (PPO) enabling robust training via large-scale parallel simulation and, in some cases, zero-shot deployment to real robots. However, the low sample efficiency of on-policy algorithms limits safe adaptation to new environments. Although off-policy RL and model-based RL have shown improved sample efficiency, the gap between large-scale pretraining and efficient finetuning on humanoids still exists. In this paper, we find that off-policy Soft Actor-Critic (SAC), with large-batch update and a high Update-To-Data (UTD) ratio, reliably supports large-scale pretraining of humanoid locomotion policies, achieving zero-shot deployment on real robots. For adaptation, we demonstrate that these SAC-pretrained policies can be finetuned in new environments and out-of-distribution tasks using model-based methods. Data collection in the new environment executes a deterministic policy while stochastic exploration is instead confined to a physics-informed world model. This separation mitigates the risks of random exploration during adaptation while preserving exploratory coverage for improvement. Overall, the approach couples the wall-clock efficiency of large-scale simulation during pretraining with the sample efficiency of model-based learning during fine-tuning. Code and videos: https://lift-humanoid.github.io
Computer Vision · 3D Rendering & Reconstruction
Physically-based rendering (PBR) provides a principled standard for realistic material–lighting interactions in computer graphics. Despite recent advances in generating PBR textures, existing methods fail to address two fundamental challenges: 1) materials decomposition from image prompts under limited illumination cues, and 2) seamless and view-consistent texture completion. To this end, we propose LumiTex, an end-to-end framework that comprises three key components: (1) a multi-branch generation scheme that disentangles albedo and metallic–roughness under shared illumination priors for robust material understanding, (2) a lighting-aware material attention mechanism that injects illumination context into the decoding process for physically grounded generation of albedo, metallic, and roughness maps, and (3) a geometry-guided inpainting module based on a large view synthesis model that enriches texture coverage and ensures seamless, view-consistent UV completion. Extensive experiments demonstrate that LumiTex achieves state-of-the-art performance in texture quality, surpassing both existing open-source and commercial methods. Project page: [https://lumitex.vercel.app](https://lumitex.vercel.app).
Reinforcement Learning · Planning
This paper studies how to achieve accurate modeling and effective control in stochastic nonlinear dynamics with multiple interacting objects. However, non-uniform interactions and random topologies make this task challenging. We address these challenges by proposing Graph Controllable Embeddings (GCE), a general framework to learn stochastic multi-object dynamics for linear control. Specifically, GCE is built on Hilbert space embeddings, allowing direct embedding of probability distributions of controlled stochastic dynamics into a reproducing kernel Hilbert space (RKHS), which enables linear operations in its RKHS while retaining nonlinear expressiveness. We provide theoretical guarantees on the existence, convergence, and applicability of GCE. Notably, a mean field approximation technique is adopted to efficiently capture inter-object dependencies and achieves provably low sample complexity. By integrating graph neural networks, we construct data-dependent kernel features which are capable of adapting to dynamic interaction patterns and generalizing to even unseen topologies with only limited training instances. GCE scales seamlessly to multi-object systems of varying sizes and topologies. Leveraging the linearity of Hilbert spaces, GCE also supports simple yet effective control algorithms for synthesizing optimal sequences. Experiments on physical systems, robotics, and power grids validate GCE and demonstrate consistent performance improvement over various competitive embedding methods in both in-distribution and few-shot tests.
Computer Vision · Image and Video Generation
Text-to-video diffusion models have enabled high-quality video synthesis, yet often fail to generate temporally coherent and physically plausible motion. A key reason is the models' insufficient understanding of complex motions that natural videos often entail. Recent works tackle this problem by aligning diffusion model features with those from pretrained video encoders. However, these encoders mix video appearance and dynamics into entangled features, limiting the benefit of such alignment. In this paper, we propose a motion-centric alignment framework that learns a disentangled motion subspace from a pretrained video encoder. This subspace is optimized to predict ground-truth optical flow, ensuring it captures true motion dynamics. We then align the latent features of a text-to-video diffusion model to this new subspace, enabling the generative model to internalize motion knowledge and generate more plausible videos. Our method improves the physical commonsense in a state-of-the-art video diffusion model, while preserving adherence to textual prompts, as evidenced by empirical evaluations on VideoPhy, VideoPhy2, VBench, and VBench-2.0, along with a user study.
Deep Learning · Graph Neural Networks
Accurately modeling long-range dependencies in graph-structured data is critical for many real-world applications. However, incorporating long-range interactions beyond the nodes' immediate neighborhood in a $\textit{scalable}$ manner remains an open challenge for graph machine learning models. Existing benchmarks for evaluating long-range capabilities either cannot $\textit{guarantee}$ that their tasks actually depend on long-range information or are rather limited. Therefore, claims of long-range modeling improvements based on said performance remain questionable. We introduce the Long-Range Ising Model Graph Benchmark, a physics-based benchmark utilizing the well-studied Ising model whose ground truth $\textit{provably}$ depends on long-range dependencies. Our benchmark consists of ten datasets that scale from 256 to 65k nodes per graph, and provide controllable long-range dependencies through tunable parameters, allowing precise control over the hardness and ``long-rangedness". We provide model-agnostic evidence that local information is insufficient, further validating the design choices of our benchmark. Via experiments on classical message-passing architectures and graph transformers, we show that both perform far from the optimum, especially those with scalable complexity. Our goal is that our benchmark will foster the development of scalable methodologies that effectively model long-range interactions in graphs.
Current video avatar models can generate fluid animations but struggle to capture a character's authentic essence, primarily synchronizing motion with low-level audio cues instead of understanding higher-level semantics like emotion or intent. To bridge this gap, we propose a novel framework for generating character animations that are not only physically plausible but also semantically rich and expressive. Our model is built on two technical innovations. First, we employ Multimodal Large Language Models to generate a structured textual representation from input conditions, providing high-level semantic guidance for creating contextually and emotionally resonant actions. Second, to ensure robust fusion of multimodal signals, we introduce a specialized Multimodal Diffusion Transformer architecture featuring a novel Pseudo Last Frame design. This allows our model to accurately interpret the joint semantics of audio, images and text, generating motions that are deeply coherent with the overall context. Comprehensive experiments validate the superiority of our method, which achieves compelling results in lip-sync accuracy, video quality, motion naturalness, and semantic consistency. The approach also shows strong generalization to challenging scenarios, including multi-person and non-human subjects. Our video results are linked in https://omnihuman-lab.github.io/v1_5/ .
Computer Vision · Image and Video Generation
Current video avatar models can generate fluid animations but struggle to capture a character's authentic essence, primarily synchronizing motion with low-level audio cues instead of understanding higher-level semantics like emotion or intent. To bridge this gap, we propose a novel framework for generating character animations that are not only physically plausible but also semantically rich and expressive. Our model is built on two technical innovations. First, we employ Multimodal Large Language Models to generate a structured textual representation from input conditions, providing high-level semantic guidance for creating contextually and emotionally resonant actions. Second, to ensure robust fusion of multimodal signals, we introduce a specialized Multimodal Diffusion Transformer architecture featuring a novel Pseudo Last Frame design. This allows our model to accurately interpret the joint semantics of audio, images and text, generating motions that are deeply coherent with the overall context. Comprehensive experiments validate the superiority of our method, which achieves compelling results in lip-sync accuracy, video quality, motion naturalness, and semantic consistency. The approach also shows strong generalization to challenging scenarios, including multi-person and non-human subjects. Our video results are linked in https://omnihuman-lab.github.io/v1_5/ .
Transformer-based PDE surrogates achieve remarkable performance but face two key challenges: fixed patch sizes cause systematic error accumulation at harmonic frequencies, and computational costs remain inflexible regardless of problem complexity or available resources. We introduce Overtone, a unified solution through dynamic patch size control at inference. Overtone's key insight is that cyclically modulating patch sizes during autoregressive rollouts distributes errors across the frequency spectrum, mitigating the systematic harmonic artifact accumulation that plague fixed-patch models. We implement this through two architecture-agnostic modules—CSM (Convolutional Stride Modulation, using dynamic stride modulation) and CKM (Convolutional Kernel Modulation, using dynamic kernel resizing)—that together provide both harmonic mitigation and compute-adaptive deployment. This flexible tokenization lets users trade accuracy for speed dynamically based on computational constraints, and the cyclic rollout strategy yields up to 40% lower long rollout error in variance-normalised RMSE (VRMSE) compared to conventional, static-patch surrogates. Across challenging 2D and 3D PDE benchmarks, one Overtone model matches or exceeds fixed-patch baselines across inference compute budgets, when trained under a fixed total training budget setting.
Applications · Chemistry and Drug Discovery
Determining the binding pose of a ligand to a protein, known as molecular docking, is a fundamental task in drug discovery. Generative approaches promise faster, improved, and more diverse pose sampling than physics-based methods, but are often hindered by chemically implausible outputs, poor generalisability, and high computational cost. To address these challenges, we introduce a novel fragmentation scheme, leveraging inductive biases from structural chemistry, to decompose ligands into rigid-body fragments. Building on this decomposition, we present SigmaDock, an SE(3) Riemannian diffusion model that generates poses by learning to reassemble these rigid bodies within the binding pocket. By operating at the level of fragments in SE(3), SigmaDock exploits well-established geometric priors while avoiding overly complex diffusion processes and unstable training dynamics. Experimentally, we show SigmaDock achieves state-of-the-art performance, reaching Top-1 success rates (RMSD $<2$ \& PB-valid) above 79.9\% on the PoseBusters set, compared to 12.7-32.8\% reported by recent deep learning approaches, whilst demonstrating consistent generalisation to unseen proteins. SigmaDock is the first deep learning approach to surpass classical physics-based docking under the PB train-test split, marking a significant leap forward in the reliability and feasibility of deep learning for molecular modelling.
Optimization · Sampling and Optimization
Deep generative models hold great promise for representing complex physical systems, but their deployment is currently limited by the lack of guarantees on the physical plausibility of the generated outputs. Ensuring that known physical constraints are enforced is therefore critical when applying generative models to scientific and engineering problems. We address this limitation by developing a principled framework for sampling from a target distribution while rigorously satisfying physical constraints. Leveraging the variational formulation of Langevin dynamics, we propose Split Augmented Langevin (CASAL), a novel primal-dual sampling algorithm that enforces constraints progressively through variable splitting, with convergence guarantees. While the method is developed theoretically for Langevin dynamics, we demonstrate its effective applicability to diffusion models. We apply our method to diffusion-based data assimilation on a complex physical system, where enforcing physical constraints substantially improves both forecast accuracy and the preservation of critical conserved quantities. We also demonstrate the potential of CASAL for challenging feasibility problems in optimal control.
Applications · Robotics
The dominant paradigm for training Large Vision-Language Models (LVLMs) in navigation relies on imitating expert trajectories. This approach reduces the complex navigation task to a sequence-to-sequence replication of a single correct path, fundamentally limiting the agent's ability to explore and generalize. In this work, we argue for and introduce a new paradigm: a shift from Path Imitation to Decision Understanding. The goal of this paradigm is to build agents that do not just follow, but truly understand how to navigate. We materialize this through two core contributions: first, we introduce Compass-Data-22k, a novel 22k-trajectory dataset.Its Reinforcement Fine-Tuning (RFT) subset provides a panoramic view of the decision landscape by annotating all feasible actions with A* geodesic distances. Second, we design a novel gap-aware hybrid reward function that dynamically adapts its feedback to decision certainty, shifting between decisive signals for optimal actions and nuanced scores to encourage exploration. Integrated into an SFT-then-RFT recipe, our CompassNav agent is trained not to memorize static routes, but to develop an internal ``compass'' that constantly intuits the direction to the goal by evaluating the relative quality of all possible moves. This approach enables our 7B agent to set a new state-of-the-art on Goal navigation benchmarks, outperforming even larger proprietary models, and achieve robust real-world goal navigation on a physical robot.