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Jul 29

Automating modeling in mechanics: LLMs as designers of physics-constrained neural networks for constitutive modeling of materials

Large language model (LLM)-based agentic frameworks increasingly adopt the paradigm of dynamically generating task-specific agents. We suggest that not only agents but also specialized software modules for scientific and engineering tasks can be generated on demand. We demonstrate this concept in the field of solid mechanics. There, so-called constitutive models are required to describe the relationship between mechanical stress and body deformation. Constitutive models are essential for both the scientific understanding and industrial application of materials. However, even recent data-driven methods of constitutive modeling, such as constitutive artificial neural networks (CANNs), still require substantial expert knowledge and human labor. We present a framework in which an LLM generates a CANN on demand, tailored to a given material class and dataset provided by the user. The framework covers LLM-based architecture selection, integration of physical constraints, and complete code generation. Evaluation on three benchmark problems demonstrates that LLM-generated CANNs achieve accuracy comparable to or greater than manually engineered counterparts, while also exhibiting reliable generalization to unseen loading scenarios and extrapolation to large deformations. These findings indicate that LLM-based generation of physics-constrained neural networks can substantially reduce the expertise required for constitutive modeling and represent a step toward practical end-to-end automation.

  • 7 authors
·
Dec 1, 2025

Towards Agentic Intelligence for Materials Science

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan, act, and learn across the full discovery loop. This survey advances a unique pipeline-centric view that spans from corpus curation and pretraining, through domain adaptation and instruction tuning, to goal-conditioned agents interfacing with simulation and experimental platforms. Unlike prior reviews, we treat the entire process as an end-to-end system to be optimized for tangible discovery outcomes rather than proxy benchmarks. This perspective allows us to trace how upstream design choices-such as data curation and training objectives-can be aligned with downstream experimental success through effective credit assignment. To bridge communities and establish a shared frame of reference, we first present an integrated lens that aligns terminology, evaluation, and workflow stages across AI and materials science. We then analyze the field through two focused lenses: From the AI perspective, the survey details LLM strengths in pattern recognition, predictive analytics, and natural language processing for literature mining, materials characterization, and property prediction; from the materials science perspective, it highlights applications in materials design, process optimization, and the acceleration of computational workflows via integration with external tools (e.g., DFT, robotic labs). Finally, we contrast passive, reactive approaches with agentic design, cataloging current contributions while motivating systems that pursue long-horizon goals with autonomy, memory, and tool use. This survey charts a practical roadmap towards autonomous, safety-aware LLM agents aimed at discovering novel and useful materials.

  • 21 authors
·
Jan 29 2

Self-Revising Discovery Systems for Science: A Categorical Framework for Agentic Artificial Intelligence

Scientific discovery is not only answer generation but revision of the representational regime in which evidence, artifacts, operations, and verifiers are typed. We develop a category-theoretic account of agentic discovery for materials science. In a fixed regime b with schema category S_b, the system state is a copresheaf I_t: S_b -> Set, and provenance is the category of elements \int_{S_b} I_t. Fixed-regime operation is an update on such states, endofunctorial only when provenance-preserving refinements are specified and preserved. Discovery is instead a verified regime transition u: S_b -> S_b': old artifacts are preserved, transported by the left Kan extension Lan_u I_t, and compared with the post-transition state to identify residual content beyond functorial transport. This separates retrieval, search, and discovery without subjective novelty. We instantiate the framework in two systems. In Builder/Breaker, a protein-mechanics world model is revised under a Minimum Description Length gate; the accepted law expresses within-chain flexibility as all-mode elastic compliance conditioned by slow collective-mode participation, or mode-conditioned compliance. In CategoryScienceClaw, typed skills, artifacts, open needs, workflow mutation, gates, stress tests, and public discourse become a proof-carrying knowledge-computation graph. A fiber-network example records candidate models, rejected alternatives, an AIC gate, perturbation tests, and an accepted orientation-tensor anisotropic stiffness surrogate over an isotropic fiber-count descriptor. Together, the cases show how category theory can be both a mathematical language for discovery and an engineering specification for self-revising AI discovery systems.

  • 2 authors
·
May 30

Toward Visually Realistic Simulation: A Benchmark for Evaluating Robot Manipulation in Simulation

Reliable simulation evaluation of robot manipulation policies serves as a high-fidelity proxy for real-world performance. Although existing benchmarks cover a wide range of task categories, they lack visual realism, creating a large domain gap between simulation and reality. This undermines the reliability of simulation-based evaluation in predicting real-world performance. To mitigate the sim-to-real visual gap, we conduct a systematic analysis to isolate the effects of lighting and material. Our results show that these factors play a critical role in geometric reasoning and spatial grounding, yet are largely overlooked in existing benchmarks. Motivated by the analysis, we propose VISER, a visually realistic benchmark for evaluating robot manipulation in simulation. VISER features a high-fidelity dataset of over 1,000 3D assets with physically-based rendering (PBR) materials, along with 3D scenes created from these assets through curated layouts or generation. To this end, we propose an automated pipeline leveraging Multi-modal Large Language Models (MLLMs) for material-aware part segmentation and material retrieval, enabling scalable generation of physically plausible assets. Building on the high-fidelity 3D asset dataset, we construct diverse evaluation tasks, such as grasping, placing, and long-horizon tasks, enabling scalable and reproducible assessment of Vision-Language-Action (VLA) models. Our benchmark shows a strong correlation between simulation and real-world performance, achieving an average Pearson correlation coefficient of 0.92 across different policies.

  • 7 authors
·
May 7

Force Prompting: Video Generation Models Can Learn and Generalize Physics-based Control Signals

Recent advances in video generation models have sparked interest in world models capable of simulating realistic environments. While navigation has been well-explored, physically meaningful interactions that mimic real-world forces remain largely understudied. In this work, we investigate using physical forces as a control signal for video generation and propose force prompts which enable users to interact with images through both localized point forces, such as poking a plant, and global wind force fields, such as wind blowing on fabric. We demonstrate that these force prompts can enable videos to respond realistically to physical control signals by leveraging the visual and motion prior in the original pretrained model, without using any 3D asset or physics simulator at inference. The primary challenge of force prompting is the difficulty in obtaining high quality paired force-video training data, both in the real world due to the difficulty of obtaining force signals, and in synthetic data due to limitations in the visual quality and domain diversity of physics simulators. Our key finding is that video generation models can generalize remarkably well when adapted to follow physical force conditioning from videos synthesized by Blender, even with limited demonstrations of few objects. Our method can generate videos which simulate forces across diverse geometries, settings, and materials. We also try to understand the source of this generalization and perform ablations that reveal two key elements: visual diversity and the use of specific text keywords during training. Our approach is trained on only around 15k training examples for a single day on four A100 GPUs, and outperforms existing methods on force adherence and physics realism, bringing world models closer to real-world physics interactions. We release all datasets, code, weights, and interactive video demos at our project page.

  • 7 authors
·
May 25, 2025 2

GraphAgents: Knowledge Graph-Guided Agentic AI for Cross-Domain Materials Design

Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials science, where innovation demands integrating concepts from molecular chemistry to mechanical performance, this is especially acute. Neither humans nor single-agent LLMs can fully contend with this torrent of information, with the latter often prone to hallucinations. To address this bottleneck, we introduce a multi-agent framework guided by large-scale knowledge graphs to find sustainable substitutes for per- and polyfluoroalkyl substances (PFAS)-chemicals currently under intense regulatory scrutiny. Agents in the framework specialize in problem decomposition, evidence retrieval, design parameter extraction, and graph traversal, uncovering latent connections across distinct knowledge pockets to support hypothesis generation. Ablation studies show that the full multi-agent pipeline outperforms single-shot prompting, underscoring the value of distributed specialization and relational reasoning. We demonstrate that by tailoring graph traversal strategies, the system alternates between exploitative searches focusing on domain-critical outcomes and exploratory searches surfacing emergent cross-connections. Illustrated through the exemplar of biomedical tubing, the framework generates sustainable PFAS-free alternatives that balance tribological performance, thermal stability, chemical resistance, and biocompatibility. This work establishes a framework combining knowledge graphs with multi-agent reasoning to expand the materials design space, showcasing several initial design candidates to demonstrate the approach.

SciAgents: Automating scientific discovery through multi-agent intelligent graph reasoning

A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast scientific data. In this work, we present SciAgents, an approach that leverages three core concepts: (1) the use of large-scale ontological knowledge graphs to organize and interconnect diverse scientific concepts, (2) a suite of large language models (LLMs) and data retrieval tools, and (3) multi-agent systems with in-situ learning capabilities. Applied to biologically inspired materials, SciAgents reveals hidden interdisciplinary relationships that were previously considered unrelated, achieving a scale, precision, and exploratory power that surpasses traditional human-driven research methods. The framework autonomously generates and refines research hypotheses, elucidating underlying mechanisms, design principles, and unexpected material properties. By integrating these capabilities in a modular fashion, the intelligent system yields material discoveries, critique and improve existing hypotheses, retrieve up-to-date data about existing research, and highlights their strengths and limitations. Our case studies demonstrate scalable capabilities to combine generative AI, ontological representations, and multi-agent modeling, harnessing a `swarm of intelligence' similar to biological systems. This provides new avenues for materials discovery and accelerates the development of advanced materials by unlocking Nature's design principles.

  • 2 authors
·
Sep 9, 2024

TaF-VLA: Tactile-Force Alignment in Vision-Language-Action Models for Force-aware Manipulation

Vision-Language-Action (VLA) models have recently emerged as powerful generalists for robotic manipulation. However, due to their predominant reliance on visual modalities, they fundamentally lack the physical intuition required for contact-rich tasks that require precise force regulation and physical reasoning. Existing attempts to incorporate vision-based tactile sensing into VLA models typically treat tactile inputs as auxiliary visual textures, thereby overlooking the underlying correlation between surface deformation and interaction dynamics. To bridge this gap, we propose a paradigm shift from tactile-vision alignment to tactile-force alignment. Here, we introduce TaF-VLA, a framework that explicitly grounds high-dimensional tactile observations in physical interaction forces. To facilitate this, we develop an automated tactile-force data acquisition device and curate the TaF-Dataset, comprising over 10 million synchronized tactile observations, 6-axis force/torque, and matrix force map. To align sequential tactile observations with interaction forces, the central component of our approach is the Tactile-Force Adapter (TaF-Adapter), a tactile sensor encoder that extracts discretized latent information for encoding tactile observations. This mechanism ensures that the learned representations capture history-dependent, noise-insensitive physical dynamics rather than static visual textures. Finally, we integrate this force-aligned encoder into a VLA backbone. Extensive real-world experiments demonstrate that TaF-VLA policy significantly outperforms state-of-the-art tactile-vision-aligned and vision-only baselines on contact-rich tasks, verifying its ability to achieve robust, force-aware manipulation through cross-modal physical reasoning.

  • 8 authors
·
Jan 29

LLaMP: Large Language Model Made Powerful for High-fidelity Materials Knowledge Retrieval and Distillation

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.

  • 3 authors
·
Jan 30, 2024

MeLM, a generative pretrained language modeling framework that solves forward and inverse mechanics problems

We report a flexible multi-modal mechanics language model, MeLM, applied to solve various nonlinear forward and inverse problems, that can deal with a set of instructions, numbers and microstructure data. The framework is applied to various examples including bio-inspired hierarchical honeycomb design, carbon nanotube mechanics, and protein unfolding. In spite of the flexible nature of the model-which allows us to easily incorporate diverse materials, scales, and mechanical features-it performs well across disparate forward and inverse tasks. Based on an autoregressive attention-model, MeLM effectively represents a large multi-particle system consisting of hundreds of millions of neurons, where the interaction potentials are discovered through graph-forming self-attention mechanisms that are then used to identify relationships from emergent structures, while taking advantage of synergies discovered in the training data. We show that the model can solve complex degenerate mechanics design problems and determine novel material architectures across a range of hierarchical levels, providing an avenue for materials discovery and analysis. Looking beyond the demonstrations reported in this paper, we discuss other opportunities in applied mechanics and general considerations about the use of large language models in modeling, design, and analysis that can span a broad spectrum of material properties from mechanical, thermal, optical, to electronic.

  • 1 authors
·
Jun 30, 2023

Physics3D: Learning Physical Properties of 3D Gaussians via Video Diffusion

In recent years, there has been rapid development in 3D generation models, opening up new possibilities for applications such as simulating the dynamic movements of 3D objects and customizing their behaviors. However, current 3D generative models tend to focus only on surface features such as color and shape, neglecting the inherent physical properties that govern the behavior of objects in the real world. To accurately simulate physics-aligned dynamics, it is essential to predict the physical properties of materials and incorporate them into the behavior prediction process. Nonetheless, predicting the diverse materials of real-world objects is still challenging due to the complex nature of their physical attributes. In this paper, we propose Physics3D, a novel method for learning various physical properties of 3D objects through a video diffusion model. Our approach involves designing a highly generalizable physical simulation system based on a viscoelastic material model, which enables us to simulate a wide range of materials with high-fidelity capabilities. Moreover, we distill the physical priors from a video diffusion model that contains more understanding of realistic object materials. Extensive experiments demonstrate the effectiveness of our method with both elastic and plastic materials. Physics3D shows great potential for bridging the gap between the physical world and virtual neural space, providing a better integration and application of realistic physical principles in virtual environments. Project page: https://liuff19.github.io/Physics3D.

  • 6 authors
·
Jun 6, 2024 4

OmniPhysGS: 3D Constitutive Gaussians for General Physics-Based Dynamics Generation

Recently, significant advancements have been made in the reconstruction and generation of 3D assets, including static cases and those with physical interactions. To recover the physical properties of 3D assets, existing methods typically assume that all materials belong to a specific predefined category (e.g., elasticity). However, such assumptions ignore the complex composition of multiple heterogeneous objects in real scenarios and tend to render less physically plausible animation given a wider range of objects. We propose OmniPhysGS for synthesizing a physics-based 3D dynamic scene composed of more general objects. A key design of OmniPhysGS is treating each 3D asset as a collection of constitutive 3D Gaussians. For each Gaussian, its physical material is represented by an ensemble of 12 physical domain-expert sub-models (rubber, metal, honey, water, etc.), which greatly enhances the flexibility of the proposed model. In the implementation, we define a scene by user-specified prompts and supervise the estimation of material weighting factors via a pretrained video diffusion model. Comprehensive experiments demonstrate that OmniPhysGS achieves more general and realistic physical dynamics across a broader spectrum of materials, including elastic, viscoelastic, plastic, and fluid substances, as well as interactions between different materials. Our method surpasses existing methods by approximately 3% to 16% in metrics of visual quality and text alignment.

  • 4 authors
·
Jan 31, 2025

MatterGen: a generative model for inorganic materials design

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly generating entirely novel materials given desired property constraints. Despite recent progress, current generative models have low success rate in proposing stable crystals, or can only satisfy a very limited set of property constraints. Here, we present MatterGen, a model that generates stable, diverse inorganic materials across the periodic table and can further be fine-tuned to steer the generation towards a broad range of property constraints. To enable this, we introduce a new diffusion-based generative process that produces crystalline structures by gradually refining atom types, coordinates, and the periodic lattice. We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset. Compared to prior generative models, structures produced by MatterGen are more than twice as likely to be novel and stable, and more than 15 times closer to the local energy minimum. After fine-tuning, MatterGen successfully generates stable, novel materials with desired chemistry, symmetry, as well as mechanical, electronic and magnetic properties. Finally, we demonstrate multi-property materials design capabilities by proposing structures that have both high magnetic density and a chemical composition with low supply-chain risk. We believe that the quality of generated materials and the breadth of MatterGen's capabilities represent a major advancement towards creating a universal generative model for materials design.

  • 21 authors
·
Dec 6, 2023

Graph-Native Reinforcement Learning Enables Traceable Scientific Hypothesis Generation through Conceptual Recombination

Accelerating materials discovery requires AI systems that can generate scientifically valid hypotheses through multi-step, domain-grounded reasoning. Standard large language models often produce fluent but weakly traceable responses to open-ended materials design problems, making it difficult to determine whether final answers are supported by coherent intermediate reasoning. We develop Graph-PRefLexOR, a family of graph-native reasoning models fine-tuned with Group Relative Policy Optimization (GRPO) to organize reasoning into explicit phases for mechanism exploration, graph construction, pattern extraction, and hypothesis synthesis. This design links neural language generation with symbolic relational structure, enabling causal connections to be constructed, inspected, and reused. On 100 open-ended questions from materials science and mechanics literature, Graph-PRefLexOR achieves 40-65% improvements over corresponding base models, with the largest gains in reasoning traceability. Embedding analyses show broader semantic exploration and approximately 2-3 times greater semantic diversity than baselines. Semantic backtracking and layer-wise hidden-state analyses further show stronger alignment between structured reasoning and final answers. Finally, test-time graph expansion reveals that additional compute primarily increases long-range conceptual recombination within a bounded semantic space, rather than simply expanding semantic coverage. These results establish graph-native reinforcement learning as a pathway toward interpretable AI systems for scientific hypothesis generation in materials design and other scientific applications.

Φeat: Physically-Grounded Feature Representation

Foundation models have emerged as effective backbones for many vision tasks. However, current self-supervised features entangle high-level semantics with low-level physical factors, such as geometry and illumination, hindering their use in tasks requiring explicit physical reasoning. In this paper, we introduce Φeat, a novel physically-grounded visual backbone that encourages a representation sensitive to material identity, including reflectance cues and geometric mesostructure. Our key idea is to employ a pretraining strategy that contrasts spatial crops and physical augmentations of the same material under varying shapes and lighting conditions. While similar data have been used in high-end supervised tasks such as intrinsic decomposition or material estimation, we demonstrate that a pure self-supervised training strategy, without explicit labels, already provides a strong prior for tasks requiring robust features invariant to external physical factors. We evaluate the learned representations through feature similarity analysis and material selection, showing that Φeat captures physically-grounded structure beyond semantic grouping. These findings highlight the promise of unsupervised physical feature learning as a foundation for physics-aware perception in vision and graphics. These findings highlight the promise of unsupervised physical feature learning as a foundation for physics-aware perception in vision and graphics.

adobe Adobe
·
Nov 14, 2025 2

Materials Expert-Artificial Intelligence for Materials Discovery

The advent of material databases provides an unprecedented opportunity to uncover predictive descriptors for emergent material properties from vast data space. However, common reliance on high-throughput ab initio data necessarily inherits limitations of such data: mismatch with experiments. On the other hand, experimental decisions are often guided by an expert's intuition honed from experiences that are rarely articulated. We propose using machine learning to "bottle" such operational intuition into quantifiable descriptors using expertly curated measurement-based data. We introduce "Materials Expert-Artificial Intelligence" (ME-AI) to encapsulate and articulate this human intuition. As a first step towards such a program, we focus on the topological semimetal (TSM) among square-net materials as the property inspired by the expert-identified descriptor based on structural information: the tolerance factor. We start by curating a dataset encompassing 12 primary features of 879 square-net materials, using experimental data whenever possible. We then use Dirichlet-based Gaussian process regression using a specialized kernel to reveal composite descriptors for square-net topological semimetals. The ME-AI learned descriptors independently reproduce expert intuition and expand upon it. Specifically, new descriptors point to hypervalency as a critical chemical feature predicting TSM within square-net compounds. Our success with a carefully defined problem points to the "machine bottling human insight" approach as promising for machine learning-aided material discovery.

  • 8 authors
·
Dec 5, 2023

Reading and Steering Representations of Materials-Science Mechanisms in an Open-Weight Language Model

Large language models can answer scientific questions, yet a correct output does not reveal whether the model represents or uses the governing physics. Here we show that materials science mechanism information in the open-weight google/gemma-4-E4B-it model has three experimentally separable forms: concepts are readable in individual hidden states, constitutive orientation is carried by controlled transformations between states, and selected internal representations causally control engineering answers. We combine matched direct and Jacobian vocabulary readouts, option-free state geometry, a 60-law counterfactual benchmark and causal interventions. In 50 held-out materials descriptions, three independently fitted Jacobian lenses reproduced concept ranks, and target-free word sets from both readouts enabled blinded identification of 9 of 10 mechanism families. A separate 72-prompt benchmark produced mechanism-specific hidden-state neighborhoods, but an exact graph audit showed that this apparent physical organization was equally explained by numerical comparison. We therefore compared otherwise identical prompts in which only the direction of the physical input was reversed, asking whether the resulting hidden-state movement followed the supplied constitutive law. These state transformations ordered direct, physically neutral and inverse laws across 60 frozen relations and correctly oriented 39 of 40 directional laws, whereas lexical controls were near chance. Bidirectional interventions shifted answer probabilities toward or away from the physically appropriate outcome across all 12 matched cases, while counterfactual state patches transferred opposing decision signals across mechanisms and answer formats. Physical relationships were therefore more visible in controlled state changes than in absolute states alone.

ImplicitRDP: An End-to-End Visual-Force Diffusion Policy with Structural Slow-Fast Learning

Human-level contact-rich manipulation relies on the distinct roles of two key modalities: vision provides spatially rich but temporally slow global context, while force sensing captures rapid, high-frequency local contact dynamics. Integrating these signals is challenging due to their fundamental frequency and informational disparities. In this work, we propose ImplicitRDP, a unified end-to-end visual-force diffusion policy that integrates visual planning and reactive force control within a single network. We introduce Structural Slow-Fast Learning, a mechanism utilizing causal attention to simultaneously process asynchronous visual and force tokens, allowing the policy to perform closed-loop adjustments at the force frequency while maintaining the temporal coherence of action chunks. Furthermore, to mitigate modality collapse where end-to-end models fail to adjust the weights across different modalities, we propose Virtual-target-based Representation Regularization. This auxiliary objective maps force feedback into the same space as the action, providing a stronger, physics-grounded learning signal than raw force prediction. Extensive experiments on contact-rich tasks demonstrate that ImplicitRDP significantly outperforms both vision-only and hierarchical baselines, achieving superior reactivity and success rates with a streamlined training pipeline. Code and videos will be publicly available at https://implicit-rdp.github.io.

  • 9 authors
·
Dec 11, 2025

AnyTouch 2: General Optical Tactile Representation Learning For Dynamic Tactile Perception

Real-world contact-rich manipulation demands robots to perceive temporal tactile feedback, capture subtle surface deformations, and reason about object properties as well as force dynamics. Although optical tactile sensors are uniquely capable of providing such rich information, existing tactile datasets and models remain limited. These resources primarily focus on object-level attributes (e.g., material) while largely overlooking fine-grained tactile temporal dynamics during physical interactions. We consider that advancing dynamic tactile perception requires a systematic hierarchy of dynamic perception capabilities to guide both data collection and model design. To address the lack of tactile data with rich dynamic information, we present ToucHD, a large-scale hierarchical tactile dataset spanning tactile atomic actions, real-world manipulations, and touch-force paired data. Beyond scale, ToucHD establishes a comprehensive tactile dynamic data ecosystem that explicitly supports hierarchical perception capabilities from the data perspective. Building on it, we propose AnyTouch 2, a general tactile representation learning framework for diverse optical tactile sensors that unifies object-level understanding with fine-grained, force-aware dynamic perception. The framework captures both pixel-level and action-specific deformations across frames, while explicitly modeling physical force dynamics, thereby learning multi-level dynamic perception capabilities from the model perspective. We evaluate our model on benchmarks that covers static object properties and dynamic physical attributes, as well as real-world manipulation tasks spanning multiple tiers of dynamic perception capabilities-from basic object-level understanding to force-aware dexterous manipulation. Experimental results demonstrate consistent and strong performance across sensors and tasks.

  • 9 authors
·
Feb 10

MechGPT, a language-based strategy for mechanics and materials modeling that connects knowledge across scales, disciplines and modalities

For centuries, researchers have sought out ways to connect disparate areas of knowledge. While early scholars (Galileo, da Vinci, etc.) were experts across fields, specialization has taken hold later. With the advent of Artificial Intelligence, we can now explore relationships across areas (e.g., mechanics-biology) or disparate domains (e.g., failure mechanics-art). To achieve this, we use a fine-tuned Large Language Model (LLM), here for a subset of knowledge in multiscale materials failure. The approach includes the use of a general-purpose LLM to distill question-answer pairs from raw sources followed by LLM fine-tuning. The resulting MechGPT LLM foundation model is used in a series of computational experiments to explore its capacity for knowledge retrieval, various language tasks, hypothesis generation, and connecting knowledge across disparate areas. While the model has some ability to recall knowledge from training, we find that LLMs are particularly useful to extract structural insights through Ontological Knowledge Graphs. These interpretable graph structures provide explanatory insights, frameworks for new research questions, and visual representations of knowledge that also can be used in retrieval-augmented generation. Three versions of MechGPT are discussed, featuring different sizes from 13 billion to 70 billion parameters, and reaching context lengths of more than 10,000 tokens. This provides ample capacity for sophisticated retrieval augmented strategies, as well as agent-based modeling where multiple LLMs interact collaboratively and/or adversarially, the incorporation of new data from the literature or web searches, as well as multimodality.

  • 1 authors
·
Oct 16, 2023

Higher-Order Knowledge Representations for Agentic Scientific Reasoning

Scientific inquiry requires systems-level reasoning that integrates heterogeneous experimental data, cross-domain knowledge, and mechanistic evidence into coherent explanations. While Large Language Models (LLMs) offer inferential capabilities, they often depend on retrieval-augmented contexts that lack structural depth. Traditional Knowledge Graphs (KGs) attempt to bridge this gap, yet their pairwise constraints fail to capture the irreducible higher-order interactions that govern emergent physical behavior. To address this, we introduce a methodology for constructing hypergraph-based knowledge representations that faithfully encode multi-entity relationships. Applied to a corpus of ~1,100 manuscripts on biocomposite scaffolds, our framework constructs a global hypergraph of 161,172 nodes and 320,201 hyperedges, revealing a scale-free topology (power law exponent ~1.23) organized around highly connected conceptual hubs. This representation prevents the combinatorial explosion typical of pairwise expansions and explicitly preserves the co-occurrence context of scientific formulations. We further demonstrate that equipping agentic systems with hypergraph traversal tools, specifically using node-intersection constraints, enables them to bridge semantically distant concepts. By exploiting these higher-order pathways, the system successfully generates grounded mechanistic hypotheses for novel composite materials, such as linking cerium oxide to PCL scaffolds via chitosan intermediates. This work establishes a "teacherless" agentic reasoning system where hypergraph topology acts as a verifiable guardrail, accelerating scientific discovery by uncovering relationships obscured by traditional graph methods.

  • 2 authors
·
Jan 8

VisionLaw: Inferring Interpretable Intrinsic Dynamics from Visual Observations via Bilevel Optimization

The intrinsic dynamics of an object governs its physical behavior in the real world, playing a critical role in enabling physically plausible interactive simulation with 3D assets. Existing methods have attempted to infer the intrinsic dynamics of objects from visual observations, but generally face two major challenges: one line of work relies on manually defined constitutive priors, making it difficult to generalize to complex scenarios; the other models intrinsic dynamics using neural networks, resulting in limited interpretability and poor generalization. To address these challenges, we propose VisionLaw, a bilevel optimization framework that infers interpretable expressions of intrinsic dynamics from visual observations. At the upper level, we introduce an LLMs-driven decoupled constitutive evolution strategy, where LLMs are prompted as a knowledgeable physics expert to generate and revise constitutive laws, with a built-in decoupling mechanism that substantially reduces the search complexity of LLMs. At the lower level, we introduce a vision-guided constitutive evaluation mechanism, which utilizes visual simulation to evaluate the consistency between the generated constitutive law and the underlying intrinsic dynamics, thereby guiding the upper-level evolution. Experiments on both synthetic and real-world datasets demonstrate that VisionLaw can effectively infer interpretable intrinsic dynamics from visual observations. It significantly outperforms existing state-of-the-art methods and exhibits strong generalization for interactive simulation in novel scenarios.

  • 5 authors
·
Aug 19, 2025

BANG: Dividing 3D Assets via Generative Exploded Dynamics

3D creation has always been a unique human strength, driven by our ability to deconstruct and reassemble objects using our eyes, mind and hand. However, current 3D design tools struggle to replicate this natural process, requiring considerable artistic expertise and manual labor. This paper introduces BANG, a novel generative approach that bridges 3D generation and reasoning, allowing for intuitive and flexible part-level decomposition of 3D objects. At the heart of BANG is "Generative Exploded Dynamics", which creates a smooth sequence of exploded states for an input geometry, progressively separating parts while preserving their geometric and semantic coherence. BANG utilizes a pre-trained large-scale latent diffusion model, fine-tuned for exploded dynamics with a lightweight exploded view adapter, allowing precise control over the decomposition process. It also incorporates a temporal attention module to ensure smooth transitions and consistency across time. BANG enhances control with spatial prompts, such as bounding boxes and surface regions, enabling users to specify which parts to decompose and how. This interaction can be extended with multimodal models like GPT-4, enabling 2D-to-3D manipulations for more intuitive and creative workflows. The capabilities of BANG extend to generating detailed part-level geometry, associating parts with functional descriptions, and facilitating component-aware 3D creation and manufacturing workflows. Additionally, BANG offers applications in 3D printing, where separable parts are generated for easy printing and reassembly. In essence, BANG enables seamless transformation from imaginative concepts to detailed 3D assets, offering a new perspective on creation that resonates with human intuition.

  • 7 authors
·
Jul 29, 2025 3

MAOAM: Unified Object and Material Selection with Vision-Language Models

Selection is a core operation in interactive image editing. To be practical, a user should be able to specify and disambiguate the desired selection region through either text or click-based interactions, and the system should support selecting not only objects but also other criteria, such as materials. Material-based selection is valuable for tasks like re-texturing surfaces or editing instances of a specific material. However, existing vision-language-model (VLM) based selection methods are object-centric and typically support a single interaction modality, limiting their applicability. In this work, we thus present Mask Any Object And Material (MAOAM), a unified selection framework that enables precise object and material-level selection across both text- and click-based interactions. MAOAM leverages a VLM with a segmentation head to produce pixel-accurate masks from user prompts: the VLM interprets the user's selection intent (object or material-level) and encodes visual entities, attributes, and spatial relations, while the segmentation head decodes the output token into a mask. A key challenge is the lack of material selection datasets with text annotations. We propose a scalable data generation pipeline: we collect real and synthetic images with material masks, and leverage VLMs to generate material descriptions with rich visual-semantics. We train MAOAM with a multi-task objective over click and text-based selection, along with an auxiliary VQA task derived from the material descriptions to facilitate deeper material understanding. Despite being trained with uni-modal prompts, our model exhibits an emergent improvement in selection when combining text and clicks at inference, enabling flexible image editing workflows. Experiments demonstrate accurate and coherent selections across diverse objects, materials, and interaction scenarios, highlighting robustness in practice.

Semantic-Contact Fields for Category-Level Generalizable Tactile Tool Manipulation

Generalizing tool manipulation requires both semantic planning and precise physical control. Modern generalist robot policies, such as Vision-Language-Action (VLA) models, often lack the physical grounding required for contact-rich tool manipulation. Conversely, existing contact-aware policies that leverage tactile or haptic sensing are typically instance-specific and fail to generalize across diverse tool geometries. Bridging this gap requires learning representations that are both semantically transferable and physically grounded, yet a fundamental barrier remains: diverse real-world tactile data are prohibitive to collect at scale, while direct zero-shot sim-to-real transfer is challenging due to the complex nonlinear deformation of soft tactile sensors. To address this, we propose Semantic-Contact Fields (SCFields), a unified 3D representation that fuses visual semantics with dense extrinsic contact estimates, including contact probability and force. SCFields is learned through a two-stage Sim-to-Real Contact Learning Pipeline: we first pre-train on large-scale simulation to learn geometry-aware contact priors, then fine-tune on a small set of real data pseudo-labeled via geometric heuristics and force optimization to align real tactile signals. The resulting force-aware representation serves as the dense observation input to a diffusion policy, enabling physical generalization to unseen tool instances. Experiments on scraping, crayon drawing, and peeling demonstrate robust category-level generalization, significantly outperforming vision-only and raw-tactile baselines. Project page: https://kevinskwk.github.io/SCFields/.

  • 5 authors
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May 2

OpenAaaS: An Open Agent-as-a-Service Framework for Distributed Materials-Informatics Research

The Materials Genome Initiative catalyzed the proliferation of centralized platforms--SaaS, PaaS, and IaaS--that aggregate computational and experimental resources for accelerated materials discovery. In parallel, breakthroughs in large language models (LLMs) and autonomous agents have created powerful new reasoning capabilities for scientific research. Yet a critical "last mile" problem remains: while we possess world-class models and vast repositories of materials data, we lack the organizational infrastructure to compose these capabilities securely across institutional boundaries. The development of structural and functional materials for harsh service environments--high-temperature alloys, radiation resistant steels, corrosion-resistant coatings--remains characterized by long-term iteration, mechanistic complexity, and high domain expertise--demands that exceed both monolithic agent systems and traditional centralized platforms. To address this gap we propose OpenAaaS, an open-source hierarchical and distributed Agent-as-a-Service framework that enables organized multi-agent collaboration for intelligent materials design. OpenAaaS is built on a single foundational principle: code flows, data stays still. A Master Agent plans and decomposes complex research tasks without requiring direct access to subordinate agents' managed data and computational resources. Sub-agents, deployed as near-data execution nodes, retain full sovereignty over local datasets, proprietary algorithms, and specialized hardware. This architecture guarantees that raw data never leaves its domain of origin while enabling cross-scale, cross-domain secure integration of previously isolated materials intelligence silos. We validate the framework through two representative case studies: (i) AlphaAgent, an evidence-grounded materials literature analysis executor that achieves 4.66/5.0 on deep analytical questions against single-pass RAG baselines; and (ii) an ultra-large-scale hexa-high-entropy alloy descriptor database service that demonstrates secure near-data execution and domain-specific scientific workflows under strict data-sovereignty constraints. OpenAaaS establishes a principled pathway toward "organized research" via agent collectives, offering a scalable foundation for next-generation materials intelligent design platforms. All source code is available at https://github.com/Wolido/OpenAaaS.

  • 8 authors
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May 12

Physically Viable World Models: A Case for Query-Conditioned Embodied AI

World models for embodied AI must be physically viable: constructed to answer intervention queries by representing the physical structure governing action outcomes, rather than merely predicting future observations. Existing observation-predictive world models can produce visually plausible but physically wrong rollouts. This failure is structural; distinct physical systems can look identical yet diverge under intervention. We expose this problem with controlled benchmarks that fix the visible scene while varying latent physics. We show that such models may recommend infeasible actions, mispredict interaction outcomes, or certify unsafe behavior. We argue that embodied AI requires world models that identify the simplest physical abstraction sufficient to answer an intervention query. Such a model comprises modular components, including environment representation, latent state and parameter estimation, action specification, interventional dynamics, and query-level response. An autonomous orchestrator should identify the relevant abstraction and compose compatible learned and structured components per query. When closed-form physics is unavailable, uncertain, or costly, the transition model may be analytic, simulated, learned, or hybrid, but it must preserve the structure that determines interventional outcomes. This decomposition makes the model interpretable, its components verifiable, and its outputs auditable against the query. It also provides a design principle for new world models and a feasibility test for existing ones: the right abstraction is not the most detailed model of the world, but the simplest model that preserves the distinctions relevant to the query. We demonstrate this approach on queries that existing systems fail to answer correctly, and outline how an orchestrator can dynamically assemble and adapt physically viable models for planning, control, and verification.

  • 9 authors
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May 27

Exploring Model Transferability through the Lens of Potential Energy

Transfer learning has become crucial in computer vision tasks due to the vast availability of pre-trained deep learning models. However, selecting the optimal pre-trained model from a diverse pool for a specific downstream task remains a challenge. Existing methods for measuring the transferability of pre-trained models rely on statistical correlations between encoded static features and task labels, but they overlook the impact of underlying representation dynamics during fine-tuning, leading to unreliable results, especially for self-supervised models. In this paper, we present an insightful physics-inspired approach named PED to address these challenges. We reframe the challenge of model selection through the lens of potential energy and directly model the interaction forces that influence fine-tuning dynamics. By capturing the motion of dynamic representations to decline the potential energy within a force-driven physical model, we can acquire an enhanced and more stable observation for estimating transferability. The experimental results on 10 downstream tasks and 12 self-supervised models demonstrate that our approach can seamlessly integrate into existing ranking techniques and enhance their performances, revealing its effectiveness for the model selection task and its potential for understanding the mechanism in transfer learning. Code will be available at https://github.com/lixiaotong97/PED.

  • 5 authors
·
Aug 29, 2023

GaussianProperty: Integrating Physical Properties to 3D Gaussians with LMMs

Estimating physical properties for visual data is a crucial task in computer vision, graphics, and robotics, underpinning applications such as augmented reality, physical simulation, and robotic grasping. However, this area remains under-explored due to the inherent ambiguities in physical property estimation. To address these challenges, we introduce GaussianProperty, a training-free framework that assigns physical properties of materials to 3D Gaussians. Specifically, we integrate the segmentation capability of SAM with the recognition capability of GPT-4V(ision) to formulate a global-local physical property reasoning module for 2D images. Then we project the physical properties from multi-view 2D images to 3D Gaussians using a voting strategy. We demonstrate that 3D Gaussians with physical property annotations enable applications in physics-based dynamic simulation and robotic grasping. For physics-based dynamic simulation, we leverage the Material Point Method (MPM) for realistic dynamic simulation. For robot grasping, we develop a grasping force prediction strategy that estimates a safe force range required for object grasping based on the estimated physical properties. Extensive experiments on material segmentation, physics-based dynamic simulation, and robotic grasping validate the effectiveness of our proposed method, highlighting its crucial role in understanding physical properties from visual data. Online demo, code, more cases and annotated datasets are available on https://Gaussian-Property.github.io{this https URL}.

  • 11 authors
·
Dec 15, 2024 2

Physics-Informed Machine Learning: A Survey on Problems, Methods and Applications

Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are governed by physical laws. Recent work shows that it provides potential benefits for machine learning models by incorporating the physical prior and collected data, which makes the intersection of machine learning and physics become a prevailing paradigm. By integrating the data and mathematical physics models seamlessly, it can guide the machine learning model towards solutions that are physically plausible, improving accuracy and efficiency even in uncertain and high-dimensional contexts. In this survey, we present this learning paradigm called Physics-Informed Machine Learning (PIML) which is to build a model that leverages empirical data and available physical prior knowledge to improve performance on a set of tasks that involve a physical mechanism. We systematically review the recent development of physics-informed machine learning from three perspectives of machine learning tasks, representation of physical prior, and methods for incorporating physical prior. We also propose several important open research problems based on the current trends in the field. We argue that encoding different forms of physical prior into model architectures, optimizers, inference algorithms, and significant domain-specific applications like inverse engineering design and robotic control is far from being fully explored in the field of physics-informed machine learning. We believe that the interdisciplinary research of physics-informed machine learning will significantly propel research progress, foster the creation of more effective machine learning models, and also offer invaluable assistance in addressing long-standing problems in related disciplines.

  • 7 authors
·
Nov 15, 2022

SIM1: Physics-Aligned Simulator as Zero-Shot Data Scaler in Deformable Worlds

Robotic manipulation with deformable objects represents a data-intensive regime in embodied learning, where shape, contact, and topology co-evolve in ways that far exceed the variability of rigids. Although simulation promises relief from the cost of real-world data acquisition, prevailing sim-to-real pipelines remain rooted in rigid-body abstractions, producing mismatched geometry, fragile soft dynamics, and motion primitives poorly suited for cloth interaction. We posit that simulation fails not for being synthetic, but for being ungrounded. To address this, we introduce SIM1, a physics-aligned real-to-sim-to-real data engine that grounds simulation in the physical world. Given limited demonstrations, the system digitizes scenes into metric-consistent twins, calibrates deformable dynamics through elastic modeling, and expands behaviors via diffusion-based trajectory generation with quality filtering. This pipeline transforms sparse observations into scaled synthetic supervision with near-demonstration fidelity. Experiments show that policies trained on purely synthetic data achieve parity with real-data baselines at a 1:15 equivalence ratio, while delivering 90% zero-shot success and 50% generalization gains in real-world deployment. These results validate physics-aligned simulation as scalable supervision for deformable manipulation and a practical pathway for data-efficient policy learning.

MATRIX: A Multimodal Benchmark and Post-Training Framework for Materials Science

Scientific reasoning in materials science requires integrating multimodal experimental evidence with underlying physical theory. Existing benchmarks make it difficult to assess whether incorporating visual experimental data during post-training improves mechanism-grounded explanation reasoning beyond text-only supervision. We introduce MATRIX, a multimodal benchmark for materials science reasoning that evaluates foundational theory, research-level reasoning, and the interpretation of real experimental artifacts across multiple characterization modalities. Using MATRIX as a controlled diagnostic, we isolate the effect of visual grounding by comparing post-training on structured materials science text alone with post-training that incorporates paired experimental images. Despite using relatively small amounts of multimodal data, visual supervision improves experimental interpretation by 10-25% and yields 5-16% gains on text-only scientific reasoning tasks. Our results demonstrate that these improvements rely on correct image-text alignment during post-training, highlighting cross-modal representational transfer. We also observe consistent improvements on ScienceQA and PubMedQA, demonstrating that the benefits of structured multimodal post-training extend beyond materials science. The MATRIX dataset is available at https://huggingface.co/datasets/radical-ai/MATRIX and the model at https://huggingface.co/radical-ai/MATRIX-PT.

  • 5 authors
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Jan 30

Agentic Fusion of Large Atomic and Language Models to Accelerate Superconductors Discovery

The discovery of novel materials is critical for global energy and quantum technology transitions. While deep learning has fundamentally reshaped this landscape, existing predictive or generative models typically operate in isolation, lacking the autonomous orchestration required to execute the full discovery process. Here we present ElementsClaw, an agentic framework for materials discovery that synergizes Large Atomic Models (LAMs) with Large Language Models (LLMs). In response to varied human queries, ElementsClaw orchestrates a suite of LAM tools finetuned from our proposed 1-billion-parameter model Elements for atomic-scale numerical computation, while leveraging LLMs for high-level semantic reasoning. This shift moves AI-driven materials science from isolated processes toward integrated and human interactive discovery. Applied to superconductors, ElementsClaw screens 2.4 million crystals in just 28 GPU hours to identify 68,000 high-confidence candidates (The complete dataset of screened superconductors is available at https://developer.damo-academy.com/material), expanding known superconducting space by orders of magnitude compared to datasets curated over decades. Critically, ElementsClaw achieves a high success rate in identifying superconductors hidden in literature and discovers four novel experimentally verified superconductors, exemplified by Zr3ScRe8 with a transition temperature of 6.8 K and HfZrRe4 at 6.7 K. Together, our results establish a knowledge integrated, autonomously orchestrated, and experimentally grounded paradigm for materials discovery.

  • 19 authors
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Apr 28 2

MechAgents: Large language model multi-agent collaborations can solve mechanics problems, generate new data, and integrate knowledge

Solving mechanics problems using numerical methods requires comprehensive intelligent capability of retrieving relevant knowledge and theory, constructing and executing codes, analyzing the results, a task that has thus far mainly been reserved for humans. While emerging AI methods can provide effective approaches to solve end-to-end problems, for instance via the use of deep surrogate models or various data analytics strategies, they often lack physical intuition since knowledge is baked into the parametric complement through training, offering less flexibility when it comes to incorporating mathematical or physical insights. By leveraging diverse capabilities of multiple dynamically interacting large language models (LLMs), we can overcome the limitations of conventional approaches and develop a new class of physics-inspired generative machine learning platform, here referred to as MechAgents. A set of AI agents can solve mechanics tasks, here demonstrated for elasticity problems, via autonomous collaborations. A two-agent team can effectively write, execute and self-correct code, in order to apply finite element methods to solve classical elasticity problems in various flavors (different boundary conditions, domain geometries, meshes, small/finite deformation and linear/hyper-elastic constitutive laws, and others). For more complex tasks, we construct a larger group of agents with enhanced division of labor among planning, formulating, coding, executing and criticizing the process and results. The agents mutually correct each other to improve the overall team-work performance in understanding, formulating and validating the solution. Our framework shows the potential of synergizing the intelligence of language models, the reliability of physics-based modeling, and the dynamic collaborations among diverse agents, opening novel avenues for automation of solving engineering problems.

  • 2 authors
·
Nov 14, 2023

Accelerating Scientific Discovery with Generative Knowledge Extraction, Graph-Based Representation, and Multimodal Intelligent Graph Reasoning

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

  • 1 authors
·
Mar 18, 2024

AniMatrix: An Anime Video Generation Model that Thinks in Art, Not Physics

Video generation models internalize physical realism as their prior. Anime deliberately violates physics: smears, impact frames, chibi shifts; and its thousands of coexisting artistic conventions yield no single "physics of anime" a model can absorb. Physics-biased models therefore flatten the artistry that defines the medium or collapse under its stylistic variance. We present AniMatrix, a video generation model that targets artistic rather than physical correctness through a dual-channel conditioning mechanism and a three-step transition: redefine correctness, override the physics prior, and distinguish art from failure. First, a Production Knowledge System encodes anime as a structured taxonomy of controllable production variables (Style, Motion, Camera, VFX), and AniCaption infers these variables from pixels as directorial directives. A trainable tag encoder preserves the field-value structure of this taxonomy while a frozen T5 encoder handles free-form narrative; dual-path injection (cross-attention for fine-grained control, AdaLN modulation for global enforcement) ensures categorical directives are never diluted by open-ended text. Second, a style-motion-deformation curriculum transitions the model from near-physical motion to full anime expressiveness. Third, deformation-aware preference optimization with a domain-specific reward model separates intentional artistry from pathological collapse. On an anime-specific human evaluation with five production dimensions scored by professional animators, AniMatrix ranks first on four of five, with the largest gains over Seedance-Pro 1.0 on Prompt Understanding (+0.70, +22.4 percent) and Artistic Motion (+0.55, +16.9 percent). We are preparing accompanying resources for public release to support reproducibility and follow-up research.

  • 1 authors
·
May 10

PDE-Agents: An LLM-Orchestrated Multi-Agent Framework for Automated Finite Element Simulations with Knowledge Graph-Augmented Reasoning

We present PDE-Agents, a multi-agent ecosystem that automates the full lifecycle of partial differential equation (PDE) / finite element method (FEM) simulations through natural-language interaction. Three specialist large language model (LLM) agents (Simulation, Analytics, Database) are orchestrated via a LangGraph supervisor, with a local open-source LLM stack (Qwen3-Coder-Next, Llama 4 Scout) on dual NVIDIA RTX PRO 6000 GPUs. The architecture is model-agnostic, validated across two LLM generations. A GraphRAG knowledge base (Neo4j, 768-d vector embeddings) encodes curated material properties, known failure patterns, and prior run lineage. We report seven contributions: (i) a verification and validation (V&V) study confirming second-order spatial convergence (O(h^2)) on the heat-equation solver; (ii) a three-way ablation over 50 tasks with a frozen KG (KG On, KG Off, KG Smart), where KG Smart reaches 100% success and the highest output quality (physics 0.933 vs. 0.853 for KG Off; MPF 0.926 vs. 0.796); (iii) a novel-material experiment with three fictional materials known only to the KG, where KG Smart attains near-perfect material property fidelity (MPF = 1.00) versus 0.34 for the KG-free baseline; (iv) a failure analysis tracing KG On's three failures to budget exhaustion and timeout, establishing warm-start injection as the dominant reliability factor; (v) an adaptive framework selecting the optimal retrieval mode per task; (vi) production metrics from 1,369 runs (97.8% success, 57.6% first-try); and (vii) a 100-task KG growth experiment showing a difficulty-dependent gain, with hard-task MPF improving 8.8% while easy/novel tasks stay at ceiling. All code, models, and evaluation artifacts are released openly. Our findings show that integration pattern, not knowledge content, determines whether GraphRAG augmentation helps or hinders LLM agents.

  • 3 authors
·
Jun 4

From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.

  • 353 authors
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May 3

MatterGPT: A Generative Transformer for Multi-Property Inverse Design of Solid-State Materials

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as inefficiency, architectural constraints and restricted open-source availability. The representation of crystal structures using the SLICES (Simplified Line-Input Crystal-Encoding System) notation as a string of characters enables the use of state-of-the-art natural language processing models, such as Transformers, for crystal design. Drawing inspiration from the success of GPT models in generating coherent text, we trained a generative Transformer on the next-token prediction task to generate solid-state materials with targeted properties. We demonstrate MatterGPT's capability to generate de novo crystal structures with targeted single properties, including both lattice-insensitive (formation energy) and lattice-sensitive (band gap) properties. Furthermore, we extend MatterGPT to simultaneously target multiple properties, addressing the complex challenge of multi-objective inverse design of crystals. Our approach showcases high validity, uniqueness, and novelty in generated structures, as well as the ability to generate materials with properties beyond the training data distribution. This work represents a significant step forward in computational materials discovery, offering a powerful and open tool for designing materials with tailored properties for various applications in energy, electronics, and beyond.

  • 8 authors
·
Aug 14, 2024

L^2M^3OF: A Large Language Multimodal Model for Metal-Organic Frameworks

Large language models have demonstrated remarkable reasoning capabilities across diverse natural language tasks. However, comparable breakthroughs in scientific discovery are more limited, because understanding complex physical phenomena demands multifaceted representations far beyond language alone. A compelling example is the design of functional materials such as MOFs-critical for a range of impactful applications like carbon capture and hydrogen storage. Navigating their vast and intricate design space in language-based representations interpretable by LLMs is challenging due to the numerous possible three-dimensional atomic arrangements and strict reticular rules of coordination geometry and topology. Despite promising early results in LLM-assisted discovery for simpler materials systems, MOF design remains heavily reliant on tacit human expertise rarely codified in textual information alone. To overcome this barrier, we introduce L2M3OF, the first multimodal LLM for MOFs. L2M3OF integrates crystal representation learning with language understanding to process structural, textual, and knowledge modalities jointly. L2M3OF employs a pre-trained crystal encoder with a lightweight projection layer to compress structural information into a token space, enabling efficient alignment with language instructions. To facilitate training and evaluation, we curate a structure-property-knowledge database of crystalline materials and benchmark L2M3OF against state-of-the-art closed-source LLMs such as GPT-5, Gemini-2.5-Pro and DeepSeek-R1. Experiments show that L2M3OF outperforms leading text-based closed-source LLMs in property prediction and knowledge generation tasks, despite using far fewer parameters. These results highlight the importance of multimodal approaches for porous material understanding and establish L2M3OF as a foundation for next-generation AI systems in materials discovery.

  • 7 authors
·
Oct 23, 2025 2

EquiNO: A Physics-Informed Neural Operator for Multiscale Simulations

Multiscale problems are ubiquitous in physics. Numerical simulations of such problems by solving partial differential equations (PDEs) at high resolution are computationally too expensive for many-query scenarios, e.g., uncertainty quantification, remeshing applications, topology optimization, and so forth. This limitation has motivated the application of data-driven surrogate models, where the microscale computations are substituted with a surrogate, usually acting as a black-box mapping between macroscale quantities. These models offer significant speedups but struggle with incorporating microscale physical constraints, such as the balance of linear momentum and constitutive models. In this contribution, we propose Equilibrium Neural Operator (EquiNO) as a complementary physics-informed PDE surrogate for predicting microscale physics and compare it with variational physics-informed neural and operator networks. Our framework, applicable to the so-called multiscale FE^{,2}, computations, introduces the FE-OL approach by integrating the finite element (FE) method with operator learning (OL). We apply the proposed FE-OL approach to quasi-static problems of solid mechanics. The results demonstrate that FE-OL can yield accurate solutions even when confronted with a restricted dataset during model development. Our results show that EquiNO achieves speedup factors exceeding 8000-fold compared to traditional methods and offers an optimal balance between data-driven and physics-based strategies.

  • 5 authors
·
Mar 27, 2025

WT-UMI: Tactile-based Whole-Body Manipulation via Force-Supervised Contact-Aware Planning

Whole-body humanoid manipulation of bulky, deformable, and shared-load objects requires distributed contact sensing and explicit force regulation, yet most imitation policies treat contact force only implicitly. On the other hand, different demonstration sources provide complementary modalities with inherent trade-offs: human demonstrations capture natural contact forces but not robot-executable actions, while teleoperation directly records robot actions but with less natural force regulation. This paper presents WT-UMI, a wearable whole-body tactile interface worn by human operators or mounted on humanoids, providing accurate observations of tactile images, contact forces, and end-effector poses across both human demonstration and humanoid teleoperation modes. We introduce a force-conditioned target-pose correction module that converts measured human poses into contact-aware robot targets by learning corrections from teleoperation data. To leverage the natural force interaction in human data, we propose a force-supervised planner that predicts end-effector pose chunks and contact-force trajectories. The predicted contact force serves as the reference for a tactile-based admittance controller. Across five contact-rich tasks spanning deformable objects, bulky rigid objects, and human--humanoid collaboration, WT-UMI improves success rate and reduces contact-position tracking error over four policy baselines. Our project page is available at https://wt-umi.github.io/WTUMI/.

  • 18 authors
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Jun 10

PhysX-Anything: Simulation-Ready Physical 3D Assets from Single Image

3D modeling is shifting from static visual representations toward physical, articulated assets that can be directly used in simulation and interaction. However, most existing 3D generation methods overlook key physical and articulation properties, thereby limiting their utility in embodied AI. To bridge this gap, we introduce PhysX-Anything, the first simulation-ready physical 3D generative framework that, given a single in-the-wild image, produces high-quality sim-ready 3D assets with explicit geometry, articulation, and physical attributes. Specifically, we propose the first VLM-based physical 3D generative model, along with a new 3D representation that efficiently tokenizes geometry. It reduces the number of tokens by 193x, enabling explicit geometry learning within standard VLM token budgets without introducing any special tokens during fine-tuning and significantly improving generative quality. In addition, to overcome the limited diversity of existing physical 3D datasets, we construct a new dataset, PhysX-Mobility, which expands the object categories in prior physical 3D datasets by over 2x and includes more than 2K common real-world objects with rich physical annotations. Extensive experiments on PhysX-Mobility and in-the-wild images demonstrate that PhysX-Anything delivers strong generative performance and robust generalization. Furthermore, simulation-based experiments in a MuJoCo-style environment validate that our sim-ready assets can be directly used for contact-rich robotic policy learning. We believe PhysX-Anything can substantially empower a broad range of downstream applications, especially in embodied AI and physics-based simulation.

  • 5 authors
·
Nov 17, 2025 2

Operationalizing Serendipity: Multi-Agent AI Workflows for Enhanced Materials Characterization with Theory-in-the-Loop

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing, their optimization for efficiency risks overlooking these crucial, unplanned findings. To address this gap, we introduce SciLink, an open-source, multi-agent artificial intelligence framework designed to operationalize serendipity in materials research by creating a direct, automated link between experimental observation, novelty assessment, and theoretical simulations. The framework employs a hybrid AI strategy where specialized machine learning models perform quantitative analysis of experimental data, while large language models handle higher-level reasoning. These agents autonomously convert raw data from materials characterization techniques into falsifiable scientific claims, which are then quantitatively scored for novelty against the published literature. We demonstrate the framework's versatility across diverse research scenarios, showcasing its application to atomic-resolution and hyperspectral data, its capacity to integrate real-time human expert guidance, and its ability to close the research loop by proposing targeted follow-up experiments. By systematically analyzing all observations and contextualizing them, SciLink provides a practical framework for AI-driven materials research that not only enhances efficiency but also actively cultivates an environment ripe for serendipitous discoveries, thereby bridging the gap between automated experimentation and open-ended scientific exploration.

  • 7 authors
·
Aug 7, 2025

ProPhy: Progressive Physical Alignment for Dynamic World Simulation

Recent advances in video generation have shown remarkable potential for constructing world simulators. However, current models still struggle to produce physically consistent results, particularly when handling large-scale or complex dynamics. This limitation arises primarily because existing approaches respond isotropically to physical prompts and neglect the fine-grained alignment between generated content and localized physical cues. To address these challenges, we propose ProPhy, a Progressive Physical Alignment Framework that enables explicit physics-aware conditioning and anisotropic generation. ProPhy employs a two-stage Mixture-of-Physics-Experts (MoPE) mechanism for discriminative physical prior extraction, where Semantic Experts infer semantic-level physical principles from textual descriptions, and Refinement Experts capture token-level physical dynamics. This mechanism allows the model to learn fine-grained, physics-aware video representations that better reflect underlying physical laws. Furthermore, we introduce a physical alignment strategy that transfers the physical reasoning capabilities of vision-language models (VLMs) into the Refinement Experts, facilitating a more accurate representation of dynamic physical phenomena. Extensive experiments on physics-aware video generation benchmarks demonstrate that ProPhy produces more realistic, dynamic, and physically coherent results than existing state-of-the-art methods.

  • 10 authors
·
Dec 5, 2025 2

FaGeL: Fabric LLMs Agent empowered Embodied Intelligence Evolution with Autonomous Human-Machine Collaboration

Recent advancements in Large Language Models (LLMs) have enhanced the reasoning capabilities of embodied agents, driving progress toward AGI-powered robotics. While LLMs have been applied to tasks like semantic reasoning and task generalization, their potential in open physical space exploration remains underexplored. This paper introduces FaGeL (Fabric aGent empowered by embodied intelligence with LLMs), an embodied agent integrating smart fabric technology for seamless, non-intrusive human-agent interaction. FaGeL autonomously generates tasks using multimodal data from wearable and ambient sensors, refining its behavior based on implicit human feedback in generated text, without explicit ratings or preferences. We also introduce a token-level saliency map to visualize LLM fine-tuning, enhancing the interpretability of token-level alignment. The system leverages dual feedback mechanisms to improve token-level alignment and addresses challenges in non-intrusive human-machine interaction and cognition evolution. Our contributions include FaGeL's development, the DualCUT algorithm for AI alignment, and experimental validation in cooperative tasks, demonstrating FaGeL's ability to adapt and evolve autonomously through implicit feedback. In the future, we plan to explore FaGeL's scalability in dynamic environments and its integration with other AI systems to develop AGI agents that adapt seamlessly to diverse human needs.

  • 2 authors
·
Dec 28, 2024

PhysX: Physical-Grounded 3D Asset Generation

3D modeling is moving from virtual to physical. Existing 3D generation primarily emphasizes geometries and textures while neglecting physical-grounded modeling. Consequently, despite the rapid development of 3D generative models, the synthesized 3D assets often overlook rich and important physical properties, hampering their real-world application in physical domains like simulation and embodied AI. As an initial attempt to address this challenge, we propose PhysX, an end-to-end paradigm for physical-grounded 3D asset generation. 1) To bridge the critical gap in physics-annotated 3D datasets, we present PhysXNet - the first physics-grounded 3D dataset systematically annotated across five foundational dimensions: absolute scale, material, affordance, kinematics, and function description. In particular, we devise a scalable human-in-the-loop annotation pipeline based on vision-language models, which enables efficient creation of physics-first assets from raw 3D assets.2) Furthermore, we propose PhysXGen, a feed-forward framework for physics-grounded image-to-3D asset generation, injecting physical knowledge into the pre-trained 3D structural space. Specifically, PhysXGen employs a dual-branch architecture to explicitly model the latent correlations between 3D structures and physical properties, thereby producing 3D assets with plausible physical predictions while preserving the native geometry quality. Extensive experiments validate the superior performance and promising generalization capability of our framework. All the code, data, and models will be released to facilitate future research in generative physical AI.

  • 4 authors
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Jul 16, 2025 1

FORGE:Fine-grained Multimodal Evaluation for Manufacturing Scenarios

The manufacturing sector is increasingly adopting Multimodal Large Language Models (MLLMs) to transition from simple perception to autonomous execution, yet current evaluations fail to reflect the rigorous demands of real-world manufacturing environments. Progress is hindered by data scarcity and a lack of fine-grained domain semantics in existing datasets. To bridge this gap, we introduce FORGE. Wefirst construct a high-quality multimodal dataset that combines real-world 2D images and 3D point clouds, annotated with fine-grained domain semantics (e.g., exact model numbers). We then evaluate 18 state-of-the-art MLLMs across three manufacturing tasks, namely workpiece verification, structural surface inspection, and assembly verification, revealing significant performance gaps. Counter to conventional understanding, the bottleneck analysis shows that visual grounding is not the primary limiting factor. Instead, insufficient domain-specific knowledge is the key bottleneck, setting a clear direction for future research. Beyond evaluation, we show that our structured annotations can serve as an actionable training resource: supervised fine-tuning of a compact 3B-parameter model on our data yields up to 90.8% relative improvement in accuracy on held-out manufacturing scenarios, providing preliminary evidence for a practical pathway toward domain-adapted manufacturing MLLMs. The code and datasets are available at https://ai4manufacturing.github.io/forge-web.

Learn2Fold: Structured Origami Generation with World Model Planning

The ability to transform a flat sheet into a complex three-dimensional structure is a fundamental test of physical intelligence. Unlike cloth manipulation, origami is governed by strict geometric axioms and hard kinematic constraints, where a single invalid crease or collision can invalidate the entire folding sequence. As a result, origami demands long-horizon constructive reasoning that jointly satisfies precise physical laws and high-level semantic intent. Existing approaches fall into two disjoint paradigms: optimization-based methods enforce physical validity but require dense, precisely specified inputs, making them unsuitable for sparse natural language descriptions, while generative foundation models excel at semantic and perceptual synthesis yet fail to produce long-horizon, physics-consistent folding processes. Consequently, generating valid origami folding sequences directly from text remains an open challenge. To address this gap, we introduce Learn2Fold, a neuro-symbolic framework that formulates origami folding as conditional program induction over a crease-pattern graph. Our key insight is to decouple semantic proposal from physical verification. A large language model generates candidate folding programs from abstract text prompts, while a learned graph-structured world model serves as a differentiable surrogate simulator that predicts physical feasibility and failure modes before execution. Integrated within a lookahead planning loop, Learn2Fold enables robust generation of physically valid folding sequences for complex and out-of-distribution patterns, demonstrating that effective spatial intelligence arises from the synergy between symbolic reasoning and grounded physical simulation.

  • 7 authors
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Feb 2 1

Physics Steering: Causal Control of Cross-Domain Concepts in a Physics Foundation Model

Recent advances in mechanistic interpretability have revealed that large language models (LLMs) develop internal representations corresponding not only to concrete entities but also distinct, human-understandable abstract concepts and behaviour. Moreover, these hidden features can be directly manipulated to steer model behaviour. However, it remains an open question whether this phenomenon is unique to models trained on inherently structured data (ie. language, images) or if it is a general property of foundation models. In this work, we investigate the internal representations of a large physics-focused foundation model. Inspired by recent work identifying single directions in activation space for complex behaviours in LLMs, we extract activation vectors from the model during forward passes over simulation datasets for different physical regimes. We then compute "delta" representations between the two regimes. These delta tensors act as concept directions in activation space, encoding specific physical features. By injecting these concept directions back into the model during inference, we can steer its predictions, demonstrating causal control over physical behaviours, such as inducing or removing some particular physical feature from a simulation. These results suggest that scientific foundation models learn generalised representations of physical principles. They do not merely rely on superficial correlations and patterns in the simulations. Our findings open new avenues for understanding and controlling scientific foundation models and has implications for AI-enabled scientific discovery.

  • 5 authors
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Nov 25, 2025

Forge-and-Quench: Enhancing Image Generation for Higher Fidelity in Unified Multimodal Models

Integrating image generation and understanding into a single framework has become a pivotal goal in the multimodal domain. However, how understanding can effectively assist generation has not been fully explored. Unlike previous works that focus on leveraging reasoning abilities and world knowledge from understanding models, this paper introduces a novel perspective: leveraging understanding to enhance the fidelity and detail richness of generated images. To this end, we propose Forge-and-Quench, a new unified framework that puts this principle into practice. In the generation process of our framework, an MLLM first reasons over the entire conversational context, including text instructions, to produce an enhanced text instruction. This refined instruction is then mapped to a virtual visual representation, termed the Bridge Feature, via a novel Bridge Adapter. This feature acts as a crucial link, forging insights from the understanding model to quench and refine the generation process. It is subsequently injected into the T2I backbone as a visual guidance signal, alongside the enhanced text instruction that replaces the original input. To validate this paradigm, we conduct comprehensive studies on the design of the Bridge Feature and Bridge Adapter. Our framework demonstrates exceptional extensibility and flexibility, enabling efficient migration across different MLLM and T2I models with significant savings in training overhead, all without compromising the MLLM's inherent multimodal understanding capabilities. Experiments show that Forge-and-Quench significantly improves image fidelity and detail across multiple models, while also maintaining instruction-following accuracy and enhancing world knowledge application. Models and codes are available at https://github.com/YanbingZeng/Forge-and-Quench.

  • 7 authors
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Jan 8

Toward smart composites: small-scale, untethered prediction and control for soft sensor/actuator systems

We present formulation and open-source tools to achieve in-material model predictive control of sensor/actuator systems using learned forward kinematics and on-device computation. Microcontroller units (MCUs) that compute the prediction and control task while colocated with the sensors and actuators enable in-material untethered behaviors. In this approach, small parameter size neural network models learn forward kinematics offline. Our open-source compiler, nn4mc, generates code to offload these predictions onto MCUs. A Newton-Raphson solver then computes the control input in real time. We first benchmark this nonlinear control approach against a PID controller on a mass-spring-damper simulation. We then study experimental results on two experimental rigs with different sensing, actuation and computational hardware: a tendon-based platform with embedded LightLace sensors and a HASEL-based platform with magnetic sensors. Experimental results indicate effective high-bandwidth tracking of reference paths (greater than or equal to 120 Hz) with a small memory footprint (less than or equal to 6.4% of flash memory). The measured path following error does not exceed 2mm in the tendon-based platform. The simulated path following error does not exceed 1mm in the HASEL-based platform. The mean power consumption of this approach in an ARM Cortex-M4f device is 45.4 mW. This control approach is also compatible with Tensorflow Lite models and equivalent on-device code. In-material intelligence enables a new class of composites that infuse autonomy into structures and systems with refined artificial proprioception.

  • 7 authors
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May 22, 2022

DeformMaster: An Interactive Physics-Neural World Model for Deformable Objects from Videos

World models for deformable objects should recover not only geometry and appearance, but also underlying physical dynamics, interaction grounding, and material behavior. Learning such a model from real videos is challenging because deformable linear, planar, and volumetric objects evolve under high-dimensional deformation, noisy interactions, and complex material response. The model must therefore infer a physical state from visual observations, roll it forward under new interactions, and render the resulting dynamics with high visual fidelity. We present DeformMaster, a video-derived interactive physics--neural world model that turns real interaction videos into an online interactive model of deformable objects within a unified dynamics-and-appearance framework. DeformMaster preserves structured physical rollout while using a neural residual to compensate for unmodeled effects, grounds sparse hand motion as distributed compliant actuator for hand--continuum interaction, represents material response with spatially varying constitutive experts, and drives high-fidelity 4D appearance from the predicted physical evolution. Experiments on real-world deformable-object sequences demonstrate DeformMaster's ability to roll out future dynamics and render dynamic appearance, outperforming state-of-the-art baselines while supporting novel action rollout, material-parameter variation, and dynamic novel-view synthesis.

  • 7 authors
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May 9 1

BrickSim: A Physics-Based Simulator for Manipulating Interlocking Brick Assemblies

Interlocking brick assemblies provide a standardized yet challenging testbed for contact-rich and long-horizon robotic manipulation, but existing rigid-body simulators do not faithfully capture snap-fit mechanics. We present BrickSim, the first real-time physics-based simulator for interlocking brick assemblies. BrickSim introduces a compact force-based mechanics model for snap-fit connections and solves the resulting internal force distribution using a structured convex quadratic program. Combined with a hybrid architecture that delegates rigid-body dynamics to the underlying physics engine while handling snap-fit mechanics separately, BrickSim enables real-time, high-fidelity simulation of assembly, disassembly, and structural collapse. On 150 real-world assemblies, BrickSim achieves 100% accuracy in static stability prediction with an average solve time of 5 ms. In dynamic drop tests, it also faithfully reproduces real-world structural collapse, precisely mirroring both the occurrence of breakage and the specific breakage locations. Built on Isaac Sim, BrickSim further supports seamless integration with a wide variety of robots and existing pipelines. We demonstrate robotic construction of brick assemblies using BrickSim, highlighting its potential as a foundation for research in dexterous, long-horizon robotic manipulation. BrickSim is open-source, and the code is available at https://github.com/intelligent-control-lab/BrickSim.

RoboNinja: Learning an Adaptive Cutting Policy for Multi-Material Objects

We introduce RoboNinja, a learning-based cutting system for multi-material objects (i.e., soft objects with rigid cores such as avocados or mangos). In contrast to prior works using open-loop cutting actions to cut through single-material objects (e.g., slicing a cucumber), RoboNinja aims to remove the soft part of an object while preserving the rigid core, thereby maximizing the yield. To achieve this, our system closes the perception-action loop by utilizing an interactive state estimator and an adaptive cutting policy. The system first employs sparse collision information to iteratively estimate the position and geometry of an object's core and then generates closed-loop cutting actions based on the estimated state and a tolerance value. The "adaptiveness" of the policy is achieved through the tolerance value, which modulates the policy's conservativeness when encountering collisions, maintaining an adaptive safety distance from the estimated core. Learning such cutting skills directly on a real-world robot is challenging. Yet, existing simulators are limited in simulating multi-material objects or computing the energy consumption during the cutting process. To address this issue, we develop a differentiable cutting simulator that supports multi-material coupling and allows for the generation of optimized trajectories as demonstrations for policy learning. Furthermore, by using a low-cost force sensor to capture collision feedback, we were able to successfully deploy the learned model in real-world scenarios, including objects with diverse core geometries and soft materials.

  • 7 authors
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Feb 22, 2023

PDE-Agent: A toolchain-augmented multi-agent framework for PDE solving

Solving Partial Differential Equations (PDEs) is a cornerstone of engineering and scientific research. Traditional methods for PDE solving are cumbersome, relying on manual setup and domain expertise. While Physics-Informed Neural Network (PINNs) introduced end-to-end neural network-based solutions, and frameworks like DeepXDE further enhanced automation, these approaches still depend on expert knowledge and lack full autonomy. In this work, we frame PDE solving as tool invocation via LLM-driven agents and introduce PDE-Agent, the first toolchain-augmented multi-agent collaboration framework, inheriting the reasoning capacity of LLMs and the controllability of external tools and enabling automated PDE solving from natural language descriptions. PDE-Agent leverages the strengths of multi-agent and multi-tool collaboration through two key innovations: (1) A Prog-Act framework with graph memory for multi-agent collaboration, which enables effective dynamic planning and error correction via dual-loop mechanisms (localized fixes and global revisions). (2) A Resource-Pool integrated with a tool-parameter separation mechanism for multi-tool collaboration. This centralizes the management of runtime artifacts and resolves inter-tool dependency gaps in existing frameworks. To validate and evaluate this new paradigm for PDE solving , we develop PDE-Bench, a multi-type PDE Benchmark for agent-based tool collaborative solving, and propose multi-level metrics for assessing tool coordination. Evaluations verify that PDE-Agent exhibits superior applicability and performance in complex multi-step, cross-step dependent tasks. This new paradigm of toolchain-augmented multi-agent PDE solving will further advance future developments in automated scientific computing. Our source code and dataset will be made publicly available.

  • 7 authors
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Dec 21, 2025

Physics-Audited Agentic Discovery in Scientific Machine Learning

In agentic scientific machine learning (SciML), large language model (LLM) agents can discover surrogate models and select one by an automated score, typically an error metric. A low error, however, does not establish that the predicted fields satisfy the physics that matter for mechanics, such as boundary conditions, superposition, stiffness scaling, or causality. We introduce Physics-Audited Agentic SciML (PA-SciML), a verification-first workflow for agentic SciML discovery. The workflow fixes a scoring evaluator before search, derives reviewable machine-checkable physics requirements, checks each trained candidate on its outputs, and separately searches prescribed input ranges or measured load-history spans for high-violation cases without reference solution fields. A surrogate is reported as verified only under the stated checks. When enabled, the workflow also adds advisory numerical probes before training and tests one modeling change at a time to record which isolated edits are associated with score gains before reuse. In the reported computational-solid-mechanics numerical examples, the static elasticity run selects a surrogate with lower validation error than the error-only baseline while both selected models pass the common linear-elastic checks. In the transient elastodynamics run, an error-only baseline with similar mean error fails a stricter causality check by responding to future parts of the loading history, while the selected surrogate passes the stated checks. The main distinction is per-candidate physics evidence on predicted fields, not a richer aggregate score.

  • 4 authors
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Jul 7

AgenticSciML: Collaborative Multi-Agent Systems for Emergent Discovery in Scientific Machine Learning

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains an expert-driven research process, requiring extensive experimentation and problem-specific insights. Here we introduce AgenticSciML, a collaborative multi-agent system in which over 10 specialized AI agents collaborate to propose, critique, and refine SciML solutions through structured reasoning and iterative evolution. The framework integrates structured debate, retrieval-augmented method memory, and ensemble-guided evolutionary search, enabling the agents to generate and assess new hypotheses about architectures and optimization procedures. Across physics-informed learning and operator learning tasks, the framework discovers solution methods that outperform single-agent and human-designed baselines by up to four orders of magnitude in error reduction. The agents produce novel strategies -- including adaptive mixture-of-expert architectures, decomposition-based PINNs, and physics-informed operator learning models -- that do not appear explicitly in the curated knowledge base. These results show that collaborative reasoning among AI agents can yield emergent methodological innovation, suggesting a path toward scalable, transparent, and autonomous discovery in scientific computing.

  • 2 authors
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Feb 14

Understanding and mitigating gradient pathologies in physics-informed neural networks

The widespread use of neural networks across different scientific domains often involves constraining them to satisfy certain symmetries, conservation laws, or other domain knowledge. Such constraints are often imposed as soft penalties during model training and effectively act as domain-specific regularizers of the empirical risk loss. Physics-informed neural networks is an example of this philosophy in which the outputs of deep neural networks are constrained to approximately satisfy a given set of partial differential equations. In this work we review recent advances in scientific machine learning with a specific focus on the effectiveness of physics-informed neural networks in predicting outcomes of physical systems and discovering hidden physics from noisy data. We will also identify and analyze a fundamental mode of failure of such approaches that is related to numerical stiffness leading to unbalanced back-propagated gradients during model training. To address this limitation we present a learning rate annealing algorithm that utilizes gradient statistics during model training to balance the interplay between different terms in composite loss functions. We also propose a novel neural network architecture that is more resilient to such gradient pathologies. Taken together, our developments provide new insights into the training of constrained neural networks and consistently improve the predictive accuracy of physics-informed neural networks by a factor of 50-100x across a range of problems in computational physics. All code and data accompanying this manuscript are publicly available at https://github.com/PredictiveIntelligenceLab/GradientPathologiesPINNs.

  • 3 authors
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Jan 12, 2020

Digital Twin AI: Opportunities and Challenges from Large Language Models to World Models

Digital twins, as precise digital representations of physical systems, have evolved from passive simulation tools into intelligent and autonomous entities through the integration of artificial intelligence technologies. This paper presents a unified four-stage framework that systematically characterizes AI integration across the digital twin lifecycle, spanning modeling, mirroring, intervention, and autonomous management. By synthesizing existing technologies and practices, we distill a unified four-stage framework that systematically characterizes how AI methodologies are embedded across the digital twin lifecycle: (1) modeling the physical twin through physics-based and physics-informed AI approaches, (2) mirroring the physical system into a digital twin with real-time synchronization, (3) intervening in the physical twin through predictive modeling, anomaly detection, and optimization strategies, and (4) achieving autonomous management through large language models, foundation models, and intelligent agents. We analyze the synergy between physics-based modeling and data-driven learning, highlighting the shift from traditional numerical solvers to physics-informed and foundation models for physical systems. Furthermore, we examine how generative AI technologies, including large language models and generative world models, transform digital twins into proactive and self-improving cognitive systems capable of reasoning, communication, and creative scenario generation. Through a cross-domain review spanning eleven application domains, including healthcare, aerospace, smart manufacturing, robotics, and smart cities, we identify common challenges related to scalability, explainability, and trustworthiness, and outline directions for responsible AI-driven digital twin systems.

  • 27 authors
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Jan 3 2

Embodied-R1.5: Evolving Physical Intelligence via Embodied Foundation Models

We introduce Embodied-R1.5, a unified Embodied Foundation Model (EFM) that integrates comprehensive embodied reasoning capabilities, spanning embodied cognition, task planning, correction, and pointing, within a single architecture toward general physical intelligence. Leveraging three automated data construction pipelines to significantly expand the data coverage of critical capabilities, we build a large-scale data system of over 15B tokens, and design a multi-task balanced RL recipe to alleviate heterogeneous task conflicts. We further introduce a Planner-Grounder-Corrector (PGC) closed-loop framework that enables a single model to autonomously execute and self-correct over long-horizon tasks. With only 8B parameters, Embodied-R1.5 achieves SOTA on 16 out of 24 embodied VLM benchmarks, surpassing leading models like Gemini-Robotics-ER-1.5 and GPT-5.4. Benefiting from the internalized embodied capabilities, Embodied-R1.5 can be fine-tuned into a VLA with only a small amount of data, outperforming leading VLA models like π_{0.5} across 4 popular manipulation benchmark suites. We further conduct extensive zero-shot real-robot experiments, validating performance in instruction following, affordance grounding, articulated object manipulation, and long-horizon complex tasks, demonstrating strong generalization to the physical world. We open-source model weights, datasets, training code, and EmbodiedEvalKit, an evaluation framework tailored for embodied tasks, to facilitate future research in EFMs.

  • 23 authors
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Jun 8 1

WISA: World Simulator Assistant for Physics-Aware Text-to-Video Generation

Recent rapid advancements in text-to-video (T2V) generation, such as SoRA and Kling, have shown great potential for building world simulators. However, current T2V models struggle to grasp abstract physical principles and generate videos that adhere to physical laws. This challenge arises primarily from a lack of clear guidance on physical information due to a significant gap between abstract physical principles and generation models. To this end, we introduce the World Simulator Assistant (WISA), an effective framework for decomposing and incorporating physical principles into T2V models. Specifically, WISA decomposes physical principles into textual physical descriptions, qualitative physical categories, and quantitative physical properties. To effectively embed these physical attributes into the generation process, WISA incorporates several key designs, including Mixture-of-Physical-Experts Attention (MoPA) and a Physical Classifier, enhancing the model's physics awareness. Furthermore, most existing datasets feature videos where physical phenomena are either weakly represented or entangled with multiple co-occurring processes, limiting their suitability as dedicated resources for learning explicit physical principles. We propose a novel video dataset, WISA-32K, collected based on qualitative physical categories. It consists of 32,000 videos, representing 17 physical laws across three domains of physics: dynamics, thermodynamics, and optics. Experimental results demonstrate that WISA can effectively enhance the compatibility of T2V models with real-world physical laws, achieving a considerable improvement on the VideoPhy benchmark. The visual exhibitions of WISA and WISA-32K are available in the https://360cvgroup.github.io/WISA/.

  • 12 authors
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Mar 11, 2025 2

Agentic Deep Graph Reasoning Yields Self-Organizing Knowledge Networks

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

  • 1 authors
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Feb 18, 2025

SIMPACT: Simulation-Enabled Action Planning using Vision-Language Models

Vision-Language Models (VLMs) exhibit remarkable common-sense and semantic reasoning capabilities. However, they lack a grounded understanding of physical dynamics. This limitation arises from training VLMs on static internet-scale visual-language data that contain no causal interactions or action-conditioned changes. Consequently, it remains challenging to leverage VLMs for fine-grained robotic manipulation tasks that require physical understanding, reasoning, and corresponding action planning. To overcome this, we present SIMPACT, a test-time, SIMulation-enabled ACTion Planning framework that equips VLMs with physical reasoning through simulation-in-the-loop world modeling, without requiring any additional training. From a single RGB-D observation, SIMPACT efficiently constructs physics simulations, enabling the VLM to propose informed actions, observe simulated rollouts, and iteratively refine its reasoning. By integrating language reasoning with physics prediction, our simulation-enabled VLM can understand contact dynamics and action outcomes in a physically grounded way. Our method demonstrates state-of-the-art performance on five challenging, real-world rigid-body and deformable manipulation tasks that require fine-grained physical reasoning, outperforming existing general-purpose robotic manipulation models. Our results demonstrate that embedding physics understanding via efficient simulation into VLM reasoning at test time offers a promising path towards generalizable embodied intelligence. Project webpage can be found at https://simpact-bot.github.io

  • 7 authors
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Dec 5, 2025

Unlocking the Visual Record of Materials Science: A Large-Scale Multimodal Dataset from Scientific Literature

The materials science literature encodes decades of experimental knowledge in figures, yet this visual record remains locked away and inaccessible to AI at scale. The core difficulty is structural: most scientific figures are compound, with a single caption describing multiple sub-panels simultaneously, making direct image-text pairing unreliable. We present MatMMExtract, an end-to-end open-source pipeline that resolves this by decomposing compound figures into individual sub-panels and generating structured, grounded annotations using a large language model guided by a curated materials science taxonomy. Applied to 14,810 open-access articles, MatMMExtract produces MatSciFig; 391,606 panel-level image-text pairs from 180,571 figures, each annotated with a sub-caption, a two-level visualisation category spanning 19 classes and over 100 subtypes, and a scientific summary. To enable accurate panel localisation, we introduce MaterialScope, a domain-specific detection dataset of 2,811 manually annotated materials science figures, on which a fine-tuned YOLO12-m detector achieves mAP_50 of 0.9227. Among six benchmarked language models, Gemini 3.1 Flash Lite delivers the best cost-quality trade-off for annotation generation, with 82% of outputs rated good and a hallucination rate of 4.8%. A dual-encoder retrieval baseline on MatSciFig achieves a 4.4 times improvement in R@1 over zero-shot CLIP, demonstrating the dataset's immediate utility for vision-language learning. All resources are released openly to the community.