论文检索

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.

General Machine Learning · Representation Learning

Denizhan Kara, Tomoyoshi Kimura, Jinyang Li, Bowen He, Yizhuo Chen, Yigong Hu, Hongjue Zhao, Shengzhong Liu, Tarek Abdelzaher

Learning robust representations from unlabeled time series is crucial, and contrastive learning offers a promising avenue. However, existing contrastive learning approaches for time series often struggle with defining meaningful similarities, tending to overlook inherent physical correlations and diverse, sequence-varying non-stationarity. This limits their representational quality and real-world adaptability. To address these limitations, we introduce AdaTS, a novel adaptive soft contrastive learning strategy. AdaTS offers a compute-efficient solution centered on dynamic instance-wise and temporal assignments to enhance time series representations, specifically by: (i) leveraging Time-Frequency Coherence for robust physics-guided similarity measurement; (ii) preserving relative instance similarities through ordinal consistency learning; and (iii) dynamically adapting to sequence-specific non-stationarity with dynamic temporal assignments. AdaTS is designed as a pluggable module to standard contrastive frameworks, achieving up to 13.7% accuracy improvements across diverse time series datasets and three state-of-the-art contrastive frameworks while enhancing robustness against label scarcity. The code will be publicly available upon acceptance.

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.

Applications · Physics

Hong Wang, Jie Wang, Minghao Ma, Haoran Shao, Haoyang Liu

Matrix preconditioning is a critical technique to accelerate the solution of linear systems, where performance heavily depends on the selection of preconditioning parameters. Traditional parameter selection approaches often define fixed constants for specific scenarios. However, they rely on domain expertise and fail to consider the instance-wise features for individual problems, limiting their performance. In contrast, machine learning (ML) approaches, though promising, are hindered by high inference costs and limited interpretability. To combine the strengths of both approaches, we propose a symbolic discovery framework—namely, **Sym**bolic **Ma**trix **P**reconditioning (**SymMaP**)—to learn efficient symbolic expressions for preconditioning parameters. Specifically, we employ a neural network to search the high-dimensional discrete space for expressions that can accurately predict the optimal parameters. The learned expression allows for high inference efficiency and excellent interpretability (expressed in concise symbolic formulas), making it simple and reliable for deployment. Experimental results show that SymMaP consistently outperforms traditional strategies across various benchmarks.

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.

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 · 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.