Unraveling how macroscopic cognitive phenotypes emerge from microscopic neuronal connectivity remains one of the core pursuits of neuroscience. To this end, researchers typically leverage multi-modal information from structural connectivity (SC) and functional connectivity (FC) to complete downstream tasks. Recent methodologies explore the intricate coupling mechanisms between SC and FC, attempting to fuse their representations at the regional level. However, lacking fundamental neuroscientific insight, these approaches fail to uncover the latent interactions between neural regions underlying these connectomes, and thus cannot explain why SC and FC exhibit dynamic states of both coupling and heterogeneity. In this paper, we formulate multi-modal fusion through the lens of neural communication dynamics and propose the Adaptive Flow Routing Network (AFR-Net), a physics-informed framework that models how structural constraints (SC) give rise to functional communication patterns (FC), enabling interpretable discovery of critical neural pathways. Extensive experiments demonstrate that AFR-Net significantly outperforms state-of-the-art baselines. The code is available at \url{https://anonymous.4open.science/r/DIAL-F0D1}.
论文检索
输入标题、作者或关键词，从 3,314 篇学术成果中精准定位
Forecasting by generating RGB videos is computationally expensive, often physically implausible, and not directly actionable, since it requires translation into decision-making signals. Direct modality forecasting (e.g., predicting future segmentation) produces directly actionable outputs but fails to scale due to the need for labels. Vision Foundation Model (VFM) features offer the best of both worlds: they contain actionable semantic and geometric information that can be easily decoded from the predicted features, while requiring no labels on the downstream task for training. However, almost all existing VFM feature forecasting methods regress future features from fixed number of input frames, with evaluation predominantly on short horizons matching the training setup. We firstly show that existing regression methods struggle with forecasting from partial observations because they average over multiple plausible futures, failing to capture uncertainty in the future given the past. Interestingly, naively replacing deterministic forecasting with generative flow matching does not match the sample quality of the regression model, despite being a mathematically appropriate formulation of the forecasting task. In this work, we explain why this is the case, and we show how to optimally generate foundation model features. Our key insight is that generative modeling of VFM features requires (auto)encoding into a compact latent space suitable for diffusion. We show that this latent space preserves information more effectively than previously used alternatives, such as uncompressed feature diffusion or PCA-based compression, both for forecasting and other applications, such as image generation. Our results suggest that conditional generation of (compressed) VFM features offers a promising and scalable foundation for future scene forecasters.
Social Aspects · Safety
Recent advancements in generative AI have led to image editing models capable of producing realistic forgeries that evade traditional image forgery localization methods, as these approaches depend on physical noise absent in synthetic data. To address this challenge, we theoretically demonstrate that the diffusion process inherently suppresses local high-frequency variance, creating a statistical energy gap that is distinguishable from the natural entropy of optical imaging. Guided by this insight, we propose FLAME, a unified framework that utilizes a LAD map to capture these intrinsic anomalies, coupled with a parameter-efficient adapter for the SAM 3 to achieve precise, pixel-level forgery localization. Furthermore, to bridge the lag between forensic benchmarks and evolving generative models, we introduce EditStream, an automated pipeline for continuous, instruction-based training data synthesis. Extensive experiments demonstrate that FLAME establishes a new state-of-the-art, significantly outperforming previous methods on AI-generated forgery datasets while effectively generalizing to unseen generative architectures.
General Machine Learning · Representation Learning
Embedding physical intuition into network architectures allows the learning of dynamics that enforce fundamental properties, such as energy conservation laws, thereby leading to physically-plausible predictions. Yet, scaling these models to intrinsically high-dimensional dynamical systems remains a significant challenge. This paper introduces Reduced-order Hamiltonian Neural Network (RO-HNN), a novel physics-inspired neural network that combines the conservation laws of Hamiltonian mechanics with the scalability of model order reduction. RO-HNN is built on two core components: a novel geometrically-constrained symplectic autoencoder that learns a low-dimensional, structure-preserving symplectic submanifold, and a geometric Hamiltonian neural network that models the dynamics on the submanifold. Our experiments demonstrate that RO-HNN provides physically-consistent, stable, and generalizable predictions of complex high-dimensional dynamics, thereby effectively extending the scope of Hamiltonian neural networks to high-dimensional physical systems.
Applications · Chemistry, Physics, and Earth Sciences
We consider the task of predicting Hamiltonian matrices to accelerate electronic structure calculations, which plays an important role in physics, chemistry, and materials science. Motivated by the inherent relationship between the off-diagonal blocks of the Hamiltonian matrix and the SO(2) local frame, we propose a novel and efficient network, called QHNetV2, that achieves global SO(3) equivariance without the costly SO(3) Clebsch–Gordan tensor products. This is achieved by introducing a set of new efficient and powerful SO(2)-equivariant operations and performing all off-diagonal feature updates and message passing within SO(2) local frames, thereby eliminating the need of SO(3) tensor products. Moreover, a continuous SO(2) tensor product is performed within the SO(2) local frame at each node to fuse node features. Extensive experiments on the large QH9 and MD17 datasets demonstrate that our model achieves superior performance across a wide range of molecular structures and trajectories, highlighting its strong generalization capability. The proposed SO(2) operations on SO(2) local frames offer a promising direction for scalable and symmetry-aware learning of electronic structures.
Deep Learning · Other Representation Learning
World models are essential for autonomous robotic planning. However, the substantial computational overhead of existing dense Transformer-based models significantly hinders real-time deployment. To address this efficiency-performance bottleneck, we introduce DDP-WM, a novel world model centered on the principle of Disentangled Dynamics Prediction (DDP). We hypothesize that latent state evolution in observed scenes is heterogeneous and can be decomposed into sparse primary dynamics driven by physical interactions and secondary context-driven background updates. DDP-WM realizes this decomposition through an architecture that integrates efficient historical processing with dynamic localization to isolate primary dynamics. By employing a cross-attention mechanism for background updates, the framework optimizes resource allocation and provides a smooth optimization landscape for planners. Extensive experiments demonstrate that DDP-WM achieves superior efficiency and performance across diverse tasks, including navigation, precise tabletop manipulation, and complex deformable or multi-body interactions. Specifically, on the challenging Push-T task, DDP-WM achieves an approximately 9 times inference speedup and improves the MPC success rate from 90% to 98% compared to state-of-the-art dense models.
Applications · Robotics
Learned world models are emerging as a powerful paradigm in robotics, offering a promising path toward task generalization, long-horizon planning, and flexible decision-making. However, prevailing approaches often operate on 2D video sequences, inherently lacking the 3D geometric understanding necessary for precise spatial reasoning and physical consistency. We introduce a **Structured 4D Latent World Model**, which predicts the evolution of a scene’s 3D structure in a structured latent space conditioned on observations and textual instructions. Our representation encodes the scene holistically and can be decoded into diverse 3D formats, enabling a more complete and physically consistent scene understanding. This structured 4D latent world model serves as a planner, generating future scenes that are translated into executable actions by a goal-conditioned inverse dynamics module. Experiments demonstrate that our model generates futures with superior visual quality, physical consistency, and multi-view coherence compared to state-of-the-art video-based planners. Consequently, our full planning pipeline achieves superior performance on complex manipulation tasks, exhibits robust generalization to novel visual conditions, and proves effective on real-world robotic platforms. Our website is available at https://icml2026-18617.github.io/.
Applications · Chemistry, Physics, and Earth Sciences
Discovering governing differential equations from observational data is a fundamental challenge in scientific machine learning. Existing symbolic regression approaches rely primarily on quantitative metrics; however, real-world differential equation modeling also requires incorporating domain knowledge to ensure physical plausibility. To address this gap, we propose DoLQ, a method for discovering ordinary differential equations with LLM-based qualitative and quantitative evaluation. DoLQ employs a multi-agent architecture: a Sampler Agent proposes dynamic system candidates, a Parameter Optimizer refines equations for accuracy, and a Scientist Agent leverages an LLM to conduct both qualitative and quantitative evaluations and synthesize their results to iteratively guide the search. Experiments on multi-dimensional ordinary differential equation benchmarks demonstrate that DoLQ achieves superior performance compared to existing methods, not only attaining higher success rates but also more accurately recovering the correct symbolic terms of ground truth equations. Our code is available at https://anonymous.4open.science/r/DoLQ/README.md.
General Machine Learning · Scalable Algorithms
While neural PDE solvers have demonstrated significant potential for accelerating engineering simulations, existing architectures remain constrained by high memory consumption and the "single-node bottleneck," where the maximum processable mesh resolution is strictly limited by the VRAM of a single compute unit. To address these challenges, we propose PGD-NO, a neural operator with Precomputed Geometry Decomposition, that relocates the computational overhead of geometric encoding to a deterministic pre-computation phase. By utilizing an iterative geometry decomposition algorithm to extract "geometry tokens," our model decouples feature extraction from solution querying. This architecture enables linear memory scalability, allowing high-fidelity learning on meshes exceeding 10 million nodes—a scale where existing architectures typically encounter memory exhaustion. PGD-NO demonstrates competitive predictive accuracy across diverse industrial benchmarks and provides intrinsic interpretability through attention mechanisms. By effectively overcoming traditional mesh-size constraints, PGD-NO offers a robust and efficient solution for the next generation of large-scale, high-fidelity industrial design applications.
Deep Learning · Algorithms
Boundary representation (B-rep) is the industry standard for computer-aided design (CAD). While deep learning shows promise in processing B-rep models, existing methods suffer from a representation gap: continuous approaches offer analytical precision but are visually abstract, whereas discrete methods provide intuitive clarity at the expense of geometric precision. To bridge this gap, we introduce Brep2Shape, a novel self-supervised pre-training framework designed to align abstract boundary representations with intuitive shape representations. Our framework employs a geometry-aware task where the model learns to predict dense spatial points from parametric Bézier control points, enabling the network to better understand physical manifolds derived from abstract coefficients. To enhance this alignment, we propose a dual transformer backbone with parallel streams that independently encode surface and curve tokens to capture their distinct geometric properties. Additionally, the topology attention is integrated to model the inherent interdependencies between surfaces and curves, thereby maintaining topological consistency. Experimental results demonstrate that Brep2Shape offers significant scalability, achieving state-of-the-art accuracy and faster convergence across various downstream tasks.
Applications · Computer Vision
Accurate 6D pose estimation and tracking are core capabilities for physical AI systems, yet real-world deployment remains brittle and labor-intensive. Many pipelines rely on CAD models, manual masking, or per-object adaptation, and still fail under occlusion or fast motion without a principled way to recognize failure. We propose STORM, a unified framework for reference-conditioned 6D tracking with minimal manual input and improved robustness. STORM introduces two mechanisms: (i) Hierarchical Spatial Fusion Attention (HSFA), which performs latent manifold alignment between reference and query features, guided by vision-language semantic conditioning to resolve instance ambiguities; and (ii) an energy-based failure detector to detect drift and trigger automatic re-initialization, yielding a self-healing tracker. Experiments on LM-O and YCB-Video show that STORM improves annotation-free pose tracking accuracy over strong baselines and recovers reliably from severe occlusions and rapid viewpoint changes with minimal overhead.
General Machine Learning · Representation Learning
We formulate the learning of generalist Vision-Language-Action (VLA) models as a Gromov-Wasserstein alignment problem, aiming to map semantically similar VL embeddings to physically similar motion primitives. However, solving this is challenging due to the mathematical heterogeneity between the domains: the semantic space of vision-language is topologically linear and isotropic, while the physical manifold of robotic action is non-Euclidean and anisotropic. As a result, direct regression approaches fail due to the disjoint metric structures of these domains, making standard distance minimization ill-posed. To resolve this incompatibility, we introduce LAST (Lie-algebraic Action Space Tokenizer). LAST reconstructs the action space to establish a more consistent metric alignment between the VL and Action modalities. Specifically, LAST bridges the heterogeneity via two stages: (1) *Global Topological Linearization*, which linearizes the action manifold through Lie-algebraic mapping, converting trajectories into a fixed-length, physically additive representation; and (2) *Local Metric Discretization*, where the representation is discretized hierarchically into schemas and whitened residuals, establishing a mathematical isomorphism with the isotropic Euclidean metric. By addressing the structural mismatch globally and locally, LAST enables VLA models with enhanced convergence and generalizability.
Applications · Chemistry, Physics, and Earth Sciences
Symbolic regression (SR) stands as a cornerstone of scientific discovery, deriving mathematical expressions from observing data. Recent advances incorporate large language models (LLMs) into evolutionary optimization, typically relying on iterative refinement driven by scalar feedback (e.g., mean squared error, MSE). However, such coarse feedback lacks directional guidance for strategic lookahead and diagnostic signals to localize structural errors, thereby confining the search to a myopic trial-and-error process. Additionally, treating optimization steps as isolated episodes precludes learning from historical trajectories. Consequently, optimization often degenerates into an inefficient search with substantial computational cost. Motivated by these limitations, we propose Deliberate Evolution, an agentic framework for SR tasks that equips LLM-based candidate proposal with explicit, structured guidance. Our approach steers optimization through adaptive evolutionary operators for directional control, analytical tools for diagnostic feedback, and reflective memory for historical insight. Extensive experiments on LLM-SRBench demonstrate that our approach consistently outperforms prior baselines while using merely 40\% of the sample budget.
Applications · Chemistry, Physics, and Earth Sciences
Computational protein design typically employs a sequential workflow of structure generation followed by sequence (re)design. While structure generators can be explicitly conditioned on functional objectives, inverse folding models are constrained by their function-agnostic nature and sequence-structure degeneracy. More critically, the associated training objectives do not account for the *Best-of-N* (BoN) inference protocol, resulting in a fundamental training-inference misalignment. Here, we propose FIDIA, a reinforcement learning framework that enables **F**unction-**I**nformed sequence **D**esign via **I**nference-**A**ligned policy optimization. Specifically, FIDIA integrates functional constraints into composite rewards and explicitly optimize the induced policy under BoN toward high-fitness sequence regions. We achieve this via a grounded gradient estimator that directly maximizes the expected maximum reward. FIDIA consistently outperforms both standard and RL-optimized baselines in success rate and precision on a general motif scaffolding benchmark. Further experiments on realworld cases including vaccine and affinity-enhancing enzyme design validate FIDIA’s efficacy in complex therapeutic and biocatalytic contexts.
Applications · Robotics
Robots in dynamic, human-centric environments must follow language instructions while maintaining real-time reactive control. Vision-language-action (VLA) models offer a promising framework, but they assume temporally aligned reasoning and control, despite semantic inference being inherently delayed relative to real-time action. We introduce Think-in-Control (TIC)-VLA, a latency-aware framework that explicitly models delayed semantic reasoning during action generation. TIC-VLA defines a delayed semantic-control interface that conditions action generation on delayed vision-language semantic states and explicit latency metadata, in addition to current observations. We further propose a latency-consistent training pipeline that injects reasoning inference delays during imitation learning and online reinforcement learning, aligning training with asynchronous deployment. To support realistic evaluation, we present DynaNav, a physics-accurate, photo-realistic simulation suite for language-guided navigation in dynamic environments. Extensive experiments in simulation and on a real robot show that TIC-VLA consistently outperforms prior VLA models while maintaining robust real-time control under multi-second reasoning latency. Code, data, and benchmarks will be released for reproducibility.
General Machine Learning · Evaluation
Neural networks (NNs) trained under different hyperparameters can fall into distinct training ``regimes'', with models in the same regime showing homogeneous properties and models across regimes differing qualitatively. In this paper, we analyze multi-regime patterns in scientific machine learning (SciML) models by characterizing these regimes and the transitions between them. We show how different regimes affect trainability and generalization, and we demonstrate that loss-landscape analysis enables regime-based diagnostics to understand, evaluate, and improve SciML model training. Our analysis yields three key insights: (1) compared with computer vision (CV) tasks, SciML models exhibit significantly more pathological loss landscapes; (2) optimization methods are regime-specific -- different optimization strategies help in different regimes, but none is uniformly effective; and (3) SciML models exhibit fine-grained failure modes that challenge conventional interpretations of standard loss-landscape metrics. Using this study, we aim to unify our understanding of seemingly different failure modes across SciML tasks and obtain task-oblivious insights and methodologies for addressing these failures. We validate these findings across widely used SciML models, including physics-informed neural networks (PINNs), Fourier neural operators (FNOs), and Neural Ordinary Differential Equations (NeuralODEs), on benchmarks spanning representative ordinary and partial differential equations.
Applications · Chemistry, Physics, and Earth Sciences
Machine learning interatomic potentials (MLIPs) have proven to be wildly useful for molecular dynamics simulations, powering countless drug and materials discovery applications. However, MLIPs face two primary bottlenecks preventing them from reaching realistic simulation scales: inference time and memory consumption. In this work, we address both issues by challenging the long-held belief that the cutoff radius for the MLIP must be held to a fixed, constant value. For the first time, we introduce a **dynamic** cutoff formulation that still leads to stable, long timescale molecular dynamics simulation. In introducing the dynamic cutoff, we are able to induce sparsity onto the underlying atom graph by targeting a specific number of neighbors per atom, significantly reducing both memory consumption and inference time. We show the effectiveness of a dynamic cutoff by implementing it onto 4 state of the art MLIPs: MACE, Nequip, Orbv3, and TensorNet, leading to **2.26x** less memory consumption and **2.04x** faster inference time, depending on the model and atomic system. We also perform an extensive error analysis and find that the dynamic cutoff models exhibit minimal accuracy dropoff compared to their fixed cutoff counterparts on both materials and molecular datasets. All model implementations and training code will be fully open sourced.
Applications · Computer Vision
Depth estimation for transparent objects remains a fundamental challenge, as RGB-based cues often fail in regions affected by refraction and light transmission. Polarization provides physically grounded information related to surface orientation and material properties, offering reliable geometric cues even in the absence of texture. In this work, we introduce PolarDepth, a monocular framework that incorporates both RGB and polarization inputs, including the degree and angle of linear polarization (DoLP and AoLP), to estimate dense depth and localize transparent regions. PolarDepth injects polarization-derived physical priors by estimating the refractive index, zenith angle, and azimuth angle from polarization measurements and embedding them into an implicit geometric representation that constrains depth inference in ambiguous transparent regions. To support model development and evaluation, we introduce PTOD, a dataset with synchronized RGB, polarization, and depth data and manually annotated transparent region masks. Experimental results demonstrate that PolarDepth achieves state-of-the-art performance in transparent object depth estimation. The findings highlight the effectiveness of embedding polarization-derived physical priors into learned representations for robust perception in complex visual environments.
Applications · Computer Vision
As video content creation shifts towards long-form narratives, retrieving and composing short clips into coherent storylines becomes a critical challenge. Standard retrieval formulations, however, perform context-agnostic retrieval, prioritizing local semantic alignment while neglecting procedural state and identity consistency across time. To address this, we introduce the task of Consistent Video Retrieval (CVR) and establish a rigorous benchmark across YouCook2, COIN, and CrossTask, designed to explicitly evaluate temporal and identity consistency. We propose CAST (Context-Aware State Transition), a lightweight, embedding-agnostic adapter that models procedural progression by predicting a state-conditioned residual update ($\Delta$) from visual history, decoupling procedural progression from static identity. Extensive experiments demonstrate that CAST yields significant and consistent gains across diverse datasets over standard baselines. Furthermore, we showcase its potential as a plug-and-play consistency verifier, guiding black-box generation models (e.g., Sora, Veo) toward physically plausible continuations.
The persistent storage requirements for high-resolution, spatiotemporally evolving fields governed by large-scale and high-dimensional partial differential equations (PDEs) have reached the petabyte-to-exabyte scale. Transient simulations modeling Navier-Stokes equations, magnetohydrodynamics, plasma physics, or binary black hole mergers generate data volumes that are prohibitive for modern high-performance computing (HPC) infrastructures. To address this bottleneck, we introduce ANTIC (Adaptive Neural Temporal in situ Compressor), an end-to-end in situ compression pipeline. ANTIC consists of an adaptive temporal selector tailored to high-dimensional physics that identifies and filters informative snapshots at simulation time, combined with a spatial neural compression module based on continual fine-tuning that learns residual updates between adjacent snapshots using neural fields. By operating in a single streaming pass, ANTIC enables a combined compression of temporal and spatial components and effectively alleviates the need for explicit on-disk storage of entire time-evolved trajectories. Experimental results demonstrate that ANTIC achieves storage reductions of approximately $\sim 400\times$ for 2D Kolmogorov flow simulations and $\sim 7000\times$ for large-scale physics simulations such as binary black hole mergers.