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Applications · Climate

Jing-An Sun, Hang Fan, Junchao Gong, Ben Fei, Kun Chen, Fenghua Ling, Wenlong Zhang, Wanghan Xu, Li Yan, Pierre Gentine 等

Data assimilation (DA) aims to estimate the full state of a dynamical system by combining partial and noisy observations with a prior model forecast, commonly referred to as the background. In atmospheric applications, this problem is fundamentally ill-posed due to the sparsity of observations relative to the high-dimensional state space. Traditional methods address this challenge by simplifying background priors to regularize the solution, which are empirical and require continual tuning for application. Inspired by alignment techniques in text-to-image diffusion models, we propose Align-DA, which formulates DA as a generative process and uses reward signals to guide background priors—replacing manual tuning with data-driven alignment. Specifically, we train a score-based model in the latent space to approximate the background-conditioned prior, and align it using three complementary reward signals for DA: (1) assimilation accuracy, (2) forecast skill initialized from the assimilated state, and (3) physical adherence of the analysis fields. Experiments with multiple reward signals demonstrate consistent improvements in analysis quality across different evaluation metrics and observation-guidance strategies. These results show that preference alignment, implemented as a soft constraint, can automatically adapt complex background priors tailored to DA, offering a promising new direction for advancing the field.

Applications · Chemistry and Drug Discovery

Ameya Daigavane, Bodhi Vani, Darcy Davidson, Saeed Saremi, Joshua Rackers, Joseph Kleinhenz

Conformational ensembles of protein structures are immensely important both for understanding protein function and drug discovery in novel modalities such as cryptic pockets. Current techniques for sampling ensembles such as molecular dynamics (MD) are computationally inefficient, while many recent machine learning methods do not transfer to systems outside their training data. We propose JAMUN which performs MD in a smoothed, noised space of all-atom 3D conformations of molecules by utilizing the framework of walk-jump sampling. JAMUN enables ensemble generation for small peptides at rates of an order of magnitude faster than traditional molecular dynamics. The physical priors in JAMUN enables transferability to systems outside of its training data, even to peptides that are longer than those originally trained on. Our model, code and weights are available at https://github.com/prescient-design/jamun.

Applications · Time Series

Yutong Feng, Xu Liu, Yutong Xia, Yuxuan Liang

Accurately modeling complex dynamic spatio-temporal systems requires capturing flow-mediated interdependencies and context-sensitive interaction dynamics. Existing methods, predominantly graph-based or attention-driven, rely on similarity-driven connectivity assumptions, neglecting asymmetric flow exchanges that govern system evolution. We propose Spatio-Temporal Flow, a physics-inspired paradigm that explicitly models dynamic node couplings through quantifiable flow transfers governed by conservation principles. Building on this, we design FlowNet, a novel architecture leveraging flow tokens as information carriers to simulate source-to-destination transfers via Flow Allocation Modules, ensuring state redistribution aligns with physical laws. FlowNet dynamically adjusts the interaction radius through an Adaptive Spatial Masking module, suppressing irrelevant noise while enabling context-aware propagation. A cascaded architecture enhances scalability and nonlinear representation capacity. Experiments demonstrate that FlowNet significantly outperforms existing SOTA approaches on seven metrics in the modeling of three real-world systems, validating its efficiency and physical interpretability. We establish a principled methodology for modeling complex systems through spatio-temporal flow interactions.

Deep Learning · Algorithms

Chang Nie

Originating in quantum physics, tensor networks (TNs) have been widely adopted as exponential machines and parametric decomposers for recognition tasks. Typical TN models, such as Matrix Product States (MPS), have not yet achieved successful application in natural image recognition. When employed, they primarily serve to compress parameters within pre-existing networks, thereby losing their distinctive capability to enhance exponential-order feature interactions. This paper introduces a novel architecture named Deep Tree Tensor Network (DTTN), which captures -order multiplicative interactions across features through multilinear operations, while essentially unfolding into a tree-like TN topology with the parameter-sharing property. DTTN is stacked with multiple antisymmetric interacting modules (AIMs), and this design facilitates efficient implementation. Furthermore, our theoretical analysis demonstrates the equivalence between quantum-inspired TN models and polynomial/multilinear networks under specific conditions. We posit that the DTTN could catalyze more interpretable research within this field. The proposed model is evaluated across multiple benchmarks and application domains, demonstrating superior performance compared to both peer methods and state-of-the-art architectures. Our code will be made publicly available upon publication.

Applications · Robotics

Zewei Zhou, Tianhui Cai, Seth Zhao, Yun Zhang, Zhiyu Huang, Bolei Zhou, Jiaqi Ma

Recent advancements in Vision-Language-Action (VLA) models have shown promise for end-to-end autonomous driving by leveraging world knowledge and reasoning capabilities. However, current VLA models often struggle with physically infeasible action outputs, complex model structures, or unnecessarily long reasoning. In this paper, we propose AutoVLA, a novel VLA model that unifies reasoning and action generation within a single autoregressive generation model for end-to-end autonomous driving. AutoVLA performs semantic reasoning and trajectory planning directly from raw visual inputs and language instructions. We tokenize continuous trajectories into discrete, feasible actions, enabling direct integration into the language model. For training, we employ supervised fine-tuning to equip the model with dual thinking modes: fast thinking (trajectory-only) and slow thinking (enhanced with chain-of-thought reasoning). To further enhance planning performance and efficiency, we introduce a reinforcement fine-tuning method based on Group Relative Policy Optimization (GRPO), reducing unnecessary reasoning in straightforward scenarios. Extensive experiments across real-world and simulated datasets and benchmarks, including nuPlan, nuScenes, Waymo, and CARLA, demonstrate the competitive performance of AutoVLA in both open-loop and closed-loop settings. Qualitative results showcase the adaptive reasoning and accurate planning capabilities of AutoVLA in diverse scenarios.

Computer Vision · Image and Video Generation

Jing Wang, Ao Ma, Ke Cao, Jun Zheng, Jiasong Feng, Zhanjie Zhang, Wanyuan Pang, Xiaodan Liang

Recent advances in text-to-video (T2V) generation, exemplified by models such as Sora and Kling, have demonstrated strong potential for constructing world simulators. However, existing T2V models still struggle to understand abstract physical principles and to generate videos that faithfully obey physical laws. This limitation stems primarily from the lack of explicit physical guidance, caused by a significant gap between high-level physical concepts and the generative capabilities of current models. To address this challenge, we propose the **W**orld **S**imulator **A**ssistant (**WISA**), a novel framework designed to systematically decompose and integrate physical principles into T2V models. Specifically, WISA decomposes physical knowledge into three hierarchical levels: textual physical descriptions, qualitative physical categories, and quantitative physical properties. It then incorporates several carefully designed modules—such as Mixture-of-Physical-Experts Attention (MoPA) and a Physical Classifier—to effectively encode these attributes and enhance the model’s adherence to physical laws during generation. In addition, most existing video datasets feature only weak or implicit representations of physical phenomena, limiting their utility for learning explicit physical principles. To bridge this gap, we present **WISA-80K**, a new dataset comprising 80,000 human-curated videos that depict 17 fundamental physical laws across three core domains of physics: dynamics, thermodynamics, and optics. Experimental results show that WISA substantially improves the alignment of T2V models (such as CogVideoX and Wan2.1) with real-world physical laws, achieving notable gains on the VideoPhy benchmark. Our data, code, and models are available in the [Project Page](https://wisav1.github.io/WISA/).

Applications · Robotics

Zhe Li, Xiang Bai, Jieyu Zhang, Zhuangzhe Wu, Che Xu, Ying Li, Chengkai Hou, Shanghang Zhang

Constructing accurate digital twins of articulated objects is essential for robotic simulation training and embodied AI world model building, yet historically requires painstaking manual modeling or multi-stage pipelines. In this work, we propose \textbf{URDF-Anything}, an end-to-end automatic reconstruction framework based on a 3D multimodal large language model (MLLM). URDF-Anything utilizes an autoregressive prediction framework based on point-cloud and text multimodal input to jointly optimize geometric segmentation and kinematic parameter prediction. It implements a specialized [SEG] token mechanism that interacts directly with point cloud features, enabling fine-grained part-level segmentation while maintaining consistency with the kinematic parameter predictions. Experiments on both simulated and real-world datasets demonstrate that our method significantly outperforms existing approaches regarding geometric segmentation (mIoU 17\% improvement), kinematic parameter prediction (average error reduction of 29\%), and physical executability (surpassing baselines by 50\%). Notably, our method exhibits excellent generalization ability, performing well even on objects outside the training set. This work provides an efficient solution for constructing digital twins for robotic simulation, significantly enhancing the sim-to-real transfer capability.

Computer Vision · Vision Models & Multimodal

Xinyang Liu, Junming Hou, Chenxu Wu, Xiaofeng Cong, zihao chen, Shangqi Deng, Junling Li, Liang-Jian Deng, Bo Liu

Over the past decades, pansharpening has contributed greatly to numerous remote sensing applications, with methods evolving from theoretically grounded models to deep learning approaches and their hybrids. Though promising, existing methods rarely address pansharpening through the lens of underlying physical imaging processes. In this work, we revisit the spectral imaging mechanism and propose a novel physics‐informed neural operator framework for pansharpening, termed PINO, which faithfully models the end‐to‐end electro‐optical sensor process. Specifically, PINO operates as: (1) First, a spatial-spectral encoder pair is introduced to aggregate multi-granularity high-resolution panchromatic (PAN) and low-resolution multispectral (LRMS) features. (2) Subsequently, an iterative neural integral process utilizes these fused spatial-spectral characteristics to learn a continuous radiance field $L_i(x, y, \lambda)$ over spatial coordinates and wavelength, effectively emulating band-wise spectral integration. (3) Finally, the learned radiance field is modulated by the sensor’s spectral responsivity $R_b(\lambda)$ to produce physically consistent spatial–spectral fusion products. This physics-grounded fusion paradigm offers a principled solution for reconstructing high-resolution multispectral and hyperspectral images in accordance with sensor imaging physics, effectively harnessing the unique advantages of spectral data to better uncover real-world characteristics. Experiments on multiple benchmark datasets show that our method surpasses state-of-the-art fusion algorithms, achieving reduced spectral aberrations and finer spatial textures. Furthermore, extension to hyperspectral (HS) data demonstrates its generalizability and universality. The code will be available upon potential acceptance.

Applications · Climate

Jiyang Xia, Fenghua Ling, Zhenhui Jessie Li, Junjie Yu, Hongliang Zhang, David Topping, LEI BAI, Zhonghua Zheng

Urban warming differs markedly from regional background trends, highlighting the unique behavior of urban climates and the challenges they present. Accurately predicting local urban climate necessitates modeling the interactions between urban surfaces and atmospheric forcing. Although off-the-shelf machine learning (ML) algorithms offer considerable accuracy for climate prediction, they often function as black boxes, learning data mappings rather than capturing physical evolution. As a result, they struggle to capture key land-atmosphere interactions and may produce physically inconsistent predictions. To address these limitations, we propose UCformer, a novel multi-task, physics-guided Transformer architecture designed to emulate nonlinear urban climate processes. UCformer jointly estimates 2-m air temperature $\(T\)$, specific humidity $\(q\)$, and dew point temperature $\(t\)$ in urban areas, while embedding domain and physical priors into its learning structure. Experimental results demonstrate that incorporating domain and physical knowledge leads to significant improvements in emulation accuracy and generalizability under future urban climate scenarios. Further analysis reveals that learning shared correlations across cities enables the model to capture transferable urban surface–atmosphere interaction patterns, resulting in improved accuracy in urban climate emulation. Finally, UCformer shows strong potential to fit real-world data: when fine-tuned with limited observational data, it achieves competitive performance in estimating urban heat fluxes compared to a physics-based model.

Computer Vision · Everything Else

Zhenhao Zhang, Ye Shi, Lingxiao Yang, Suting Ni, Qi Ye, Jingya Wang

Understanding and synthesizing realistic 3D hand-object interactions (HOI) is critical for applications ranging from immersive AR/VR to dexterous robotics. Existing methods struggle with generalization, performing well on closed-set objects and predefined tasks but failing to handle unseen objects or open-vocabulary instructions. We introduce OpenHOI, the first framework for open-world HOI synthesis, capable of generating long-horizon manipulation sequences for novel objects guided by free-form language commands. Our approach integrates a 3D Multimodal Large Language Model (MLLM) fine-tuned for joint affordance grounding and semantic task decomposition, enabling precise localization of interaction regions (e.g., handles, buttons) and breakdown of complex instructions (e.g., “Find a water bottle and take a sip”) into executable sub-tasks. To synthesize physically plausible interactions, we propose an affordance-driven diffusion model paired with a training-free physics refinement stage that minimizes penetration and optimizes affordance alignment. Evaluations across diverse scenarios demonstrate OpenHOI’s superiority over state-of-the-art methods in generalizing to novel object categories, multi-stage tasks, and complex language instructions.

Applications · Neuroscience, Cognitive Science

Ian Christopher Tanoh, Michael Deistler, Jakob H Macke, Scott Linderman

Multi-compartment Hodgkin-Huxley models are biophysical models of how electrical signals propagate throughout a neuron, and they form the basis of our knowledge of neural computation at the cellular level. However, these models have many free parameters that must be estimated for each cell, and existing fitting methods rely on intracellular voltage measurements that are highly challenging to obtain in-vivo. Recent advances in neural recording technology with high-density probes and arrays enable dense sampling of extracellular voltage from many sites surrounding a neuron, allowing indirect measurement of many compartments of a cell simultaneously. Here, we propose a method for inferring the underlying membrane voltage, biophysical parameters, and the neuron's position relative to the probe, using extracellular measurements alone. We use an Extended Kalman Filter to infer membrane voltage and channel states using efficient, differentiable simulators. Then, we learn the model parameters by maximizing the marginal likelihood using gradient-based methods. We demonstrate the performance of this approach using simulated data and real neuron morphologies.

Applications · Everything Else

Zhongben Gong, Xiaoqun Wu, Mingyang Zhou

We propose IPSI, a general iterative framework for structural inference in interacting dynamical systems. It integrates a pretrained structural estimator and a joint inference module based on the Variational Autoencoder (VAE); these components are alternately updated to progressively refine the inferred structures. Initially, the structural estimator is trained on labels from either a meta-dataset or a baseline model to extract features and generate structural priors, which provide multi-level guidance for training the joint inference module. In subsequent iterations, pseudolabels from the joint module replace the initial labels. IPSI is compatible with various VAE-based models. Experiments on synthetic datasets of physical systems demonstrate that IPSI significantly enhances the performance of structural inference models such as Neural Relational Inference (NRI). Ablation studies reveal that feature and structural prior inputs to the joint module offer complementary improvements from representational and generative perspectives.

Reinforcement Learning · Deep RL

Pengyi Li, Shixiong Kai, Jianye Hao, Ruizhe Zhong, Hongyao Tang, Zhentao Tang, Mingxuan Yuan, Junchi Yan

Floorplanning is the initial step in the physical design process of Electronic Design Automation (EDA), directly influencing subsequent placement, routing, and final power of the chip. However, the solution space in floorplanning is vast, and current algorithms often struggle to explore it sufficiently, making them prone to getting trapped in local optima. To achieve efficient floorplanning, we propose **CORE**, a general and effective solution optimization framework that synergizes Evolutionary Algorithms (EAs) and Reinforcement Learning (RL) for high-quality layout search and optimization. Specifically, we propose the Clustering-based Diversified Evolutionary Search that directly perturbs layouts and evolves them based on novelty and performance. Additionally, we model the floorplanning problem as a sequential decision problem with B*-Tree representation and employ RL for efficient learning. To efficiently coordinate EAs and RL, we propose the reinforcement-driven mechanism and evolution-guided mechanism. The former accelerates population evolution through RL, while the latter guides RL learning through EAs. The experimental results on the MCNC and GSRC benchmarks demonstrate that CORE outperforms other strong baselines in terms of wirelength and area utilization metrics, achieving a 12.9\% improvement in wirelength. CORE represents the first evolutionary reinforcement learning (ERL) algorithm for floorplanning, surpassing existing RL-based methods. The code is available at https://github.com/yeshenpy/CORE.

General Machine Learning · Representation Learning

Sengim Karayalcin, Marina Krček, Stjepan Picek

Side-channel analysis (SCA) poses a real-world threat by exploiting unintentional physical signals to extract secret information from secure devices. Evaluation labs also use the same techniques to certify device security. In recent years, deep learning has emerged as a prominent method for SCA, achieving state-of-the-art attack performance at the cost of interpretability. Understanding how neural networks extract secrets is crucial for security evaluators aiming to defend against such attacks, as only by understanding the attack can one propose better countermeasures. In this work, we apply mechanistic interpretability to neural networks trained for SCA, revealing $\textit{how}$ models exploit $\textit{what}$ leakage in side-channel traces. We focus on sudden jumps in performance to reverse engineer learned representations, ultimately recovering secret masks and moving the evaluation process from black-box to white-box. Our results show that mechanistic interpretability can scale to realistic SCA settings, even when relevant inputs are sparse, model accuracies are low, and side-channel protections prevent standard input interventions.

Deep Learning · Everything Else

Frank Shih, Zhenghao Jiang, Faming Liang

Uncertainty quantification (UQ) in scientific machine learning is increasingly critical as neural networks are widely adopted to tackle complex problems across diverse scientific disciplines. For physics-informed neural networks (PINNs), a prominent model in scientific machine learning, uncertainty is typically quantified using Bayesian or dropout methods. However, both approaches suffer from a fundamental limitation: the prior distribution or dropout rate required to construct honest confidence sets cannot be determined without additional information. In this paper, we propose a novel method within the framework of extended fiducial inference (EFI) to provide rigorous uncertainty quantification for PINNs. The proposed method leverages a narrow-neck hyper-network to learn the parameters of the PINN and quantify their uncertainty based on imputed random errors in the observations. This approach overcomes the limitations of Bayesian and dropout methods, enabling the construction of honest confidence sets based solely on observed data. This advancement represents a significant breakthrough for PINNs, greatly enhancing their reliability, interpretability, and applicability to real-world scientific and engineering challenges. Moreover, it establishes a new theoretical framework for EFI, extending its application to large-scale models, eliminating the need for sparse hyper-networks, and significantly improving the automaticity and robustness of statistical inference.

Computer Vision · Image and Video Generation

Yunpeng Bai, Shaoheng Fang, Chaohui Yu, Fan Wang, Qixing Huang

Recent advances in video generation have enabled the synthesis of high-quality and visually realistic clips using diffusion transformer models. However, most existing approaches operate purely in the 2D pixel space and lack explicit mechanisms for modeling 3D structures, often resulting in temporally inconsistent geometries, implausible motions, and structural artifacts. In this work, we introduce geometric regularization losses into video generation by augmenting latent diffusion models with per-frame depth prediction. We adopted depth as the geometric representation because of the great progress in depth prediction and its compatibility with image-based latent encoders. Specifically, to enforce structural consistency over time, we propose a multi-view geometric loss that aligns the predicted depth maps across frames within a shared 3D coordinate system. Our method bridges the gap between appearance generation and 3D structure modeling, leading to improved spatio-temporal coherence, shape consistency, and physical plausibility. Experiments across multiple datasets show that our approach produces significantly more stable and geometrically consistent results than existing baselines.

Applications · Climate

Mohamad Hakam Shams Eddin, Yikui Zhang, Stefan Kollet, Jürgen Gall

Recent deep learning approaches for river discharge forecasting have improved the accuracy and efficiency in flood forecasting, enabling more reliable early warning systems for risk management. Nevertheless, existing deep learning approaches in hydrology remain largely confined to local-scale applications and do not leverage the inherent spatial connections of bodies of water. Thus, there is a strong need for new deep learning methodologies that are capable of modeling spatio-temporal relations to improve river discharge and flood forecasting for scientific and operational applications. To address this, we present RiverMamba, a novel deep learning model that is pretrained with long-term reanalysis data and that can forecast global river discharge and floods on a $0.05^\circ$ grid up to 7 days lead time, which is of high relevance in early warning. To achieve this, RiverMamba leverages efficient Mamba blocks that enable the model to capture spatio-temporal relations in very large river networks and enhance its forecast capability for longer lead times. The forecast blocks integrate ECMWF HRES meteorological forecasts, while accounting for their inaccuracies through spatio-temporal modeling. Our analysis demonstrates that RiverMamba provides reliable predictions of river discharge across various flood return periods, including extreme floods, and lead times, surpassing both AI- and physics-based models. The source code and datasets are publicly available at the project page https://hakamshams.github.io/RiverMamba.

Andrea Montanari, Pierfrancesco Urbani

Understanding the inductive bias and generalization properties of large overparametrized machine learning models requires to characterize the dynamics of the training algorithm. We study the learning dynamics of large two-layer neural networks via dynamical mean field theory, a well established technique of non-equilibrium statistical physics. We show that, for large network width $m$, and large number of samples per input dimension $n/d$, the training dynamics exhibits a separation of timescales which implies: $(i)$ The emergence of a slow time scale associated with the growth in Gaussian/Rademacher complexity of the network; $(ii)$ Inductive bias towards small complexity if the initialization has small enough complexity; $(iii)$ A dynamical decoupling between feature learning and overfitting regimes; $(iv)$ A non-monotone behavior of the test error, associated `feature unlearning' regime at large times.

Applications · Robotics

Raktim Goswami, Prashanth Krishnamurthy, Yann LeCun, Farshad Khorrami

Visual imitation learning enables robotic agents to acquire skills by observing expert demonstration videos. In the one-shot setting, the agent generates a policy after observing a single expert demonstration without additional fine-tuning. Existing approaches typically train and evaluate on the same set of tasks, varying only object configurations, and struggle to generalize to unseen tasks with different semantic or structural requirements. While some recent methods attempt to address this, they exhibit low success rates on hard test tasks that, despite being visually similar to some training tasks, differ in context and require distinct responses. Additionally, most existing methods lack an explicit model of environment dynamics, limiting their ability to reason about future states. To address these limitations, we propose a novel framework for one-shot visual imitation learning via world-model-guided trajectory generation. Given an expert demonstration video and the agent’s initial observation, our method leverages a learned world model to predict a sequence of latent states and actions. This latent trajectory is then decoded into physical waypoints that guide the agent’s execution. Our method is evaluated on two simulated benchmarks and three real-world robotic platforms, where it consistently outperforms prior approaches, with over 30% improvement in some cases.

Computer Vision · 3D Rendering & Reconstruction

Feiran Wang, Jiachen Tao, Junyi Wu, Haoxuan Wang, Bin Duan, Kai Wang, Zongxin Yang, Yan Yan

X-ray imaging is indispensable in medical diagnostics, yet its use is tightly regulated due to radiation exposure. Recent research borrows representations from the 3D reconstruction area to complete two tasks with reduced radiation dose: X-ray Novel View Synthesis (NVS) and Computed Tomography (CT) reconstruction. However, these representations fail to fully capture the penetration and attenuation properties of X-ray imaging as they originate from visible light imaging. In this paper, we introduce X-Field, a 3D representation informed in the physics of X-ray imaging. First, we employ homogeneous 3D ellipsoids with distinct attenuation coefficients to accurately model diverse materials within internal structures. Second, we introduce an efficient path-partitioning algorithm that resolves the intricate intersection of ellipsoids to compute cumulative attenuation along an X-ray path. We further propose a hybrid progressive initialization to refine the geometric accuracy of X-Field and incorporate material-based optimization to enhance model fitting along material boundaries. Experiments show that X-Field achieves superior visual fidelity on both real-world human organ and synthetic object datasets, outperforming state-of-the-art methods in X-ray NVS and CT Reconstruction.