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 lattice structure


WebThinker: Empowering Large Reasoning Models with Deep Research Capability

Neural Information Processing Systems

Large reasoning models (LRMs), such as OpenAI-o1 and DeepSeek-R1, demonstrate impressive long-horizon reasoning capabilities. However, their reliance on static internal knowledge limits their performance on complex, knowledge-intensive tasks and hinders their ability to produce comprehensive research reports requiring synthesis of diverse web information. To address this, we propose WebThinker, a deep research agent that empowers LRMs to autonomously search the web, navigate among web pages, and draft reports during the reasoning process. WebThinker integrates a Deep Web Explorer module, enabling LRMs to dynamically search, navigate, and extract information from the web when encountering knowledge gaps. It also employs an Autonomous Think-Search-and-Draft strategy, allowing the model to seamlessly interleave reasoning, information gathering, and report writing in real time. To further enhance research tool utilization, we introduce an RL-based training strategy via iterative online Direct Preference Optimization (DPO). Extensive experiments on complex reasoning benchmarks (GPQA, GAIA, WebWalkerQA, HLE) and scientific report generation tasks (Glaive) demonstrate that WebThinker significantly outperforms existing methods and strong proprietary systems. Our approach enhances LRM reliability and applicability in complex scenarios, paving the way for more capable and versatile deep research systems.


LLM Meets Diffusion: A Hybrid Framework for Crystal Material Generation

Neural Information Processing Systems

Recent advances in generative modeling have shown significant promise in designing novel periodic crystal structures. Existing approaches typically rely on either large language models (LLMs) or equivariant denoising models, each with complementary strengths: LLMs excel at handling discrete atomic types but often struggle with continuous features such as atomic positions and lattice parameters, while denoising models are effective at modeling continuous variables but encounter difficulties in generating accurate atomic compositions. To bridge this gap, we propose CrysLLMGen, a hybrid framework that integrates an LLM with a diffusion model to leverage their complementary strengths for crystal material generation. During sampling, CrysLLMGen first employs a fine-tuned LLM to produce an intermediate representation of atom types, atomic coordinates, and lattice structure. While retaining the predicted atom types, it passes the atomic coordinates and lattice structure to a pre-trained equivariant diffusion model for refinement. Our framework outperforms state-of-the-art generative models across several benchmark tasks and datasets. Specifically, CrysLLMGen not only achieves a balanced performance in terms of structural and compositional validity but also generates more stable and novel materials compared to LLM-based and denoising-based models Furthermore, CrysLLMGen exhibits strong conditional generation capabilities, effectively producing materials that satisfy user-defined constraints.


WebThinker: Empowering Large Reasoning Models with Deep Research Capability

arXiv.org Artificial Intelligence

Large reasoning models (LRMs), such as OpenAI-o1 and DeepSeek-R1, demonstrate impressive long-horizon reasoning capabilities. However, their reliance on static internal knowledge limits their performance on complex, knowledge-intensive tasks and hinders their ability to produce comprehensive research reports requiring synthesis of diverse web information. To address this, we propose WebThinker, a deep research agent that empowers LRMs to autonomously search the web, navigate among web pages, and draft reports during the reasoning process. WebThinker integrates a Deep Web Explorer module, enabling LRMs to dynamically search, navigate, and extract information from the web when encountering knowledge gaps. It also employs an Autonomous Think-Search-and-Draft strategy, allowing the model to seamlessly interleave reasoning, information gathering, and report writing in real time. To further enhance research tool utilization, we introduce an RL-based training strategy via iterative online Direct Preference Optimization (DPO). Extensive experiments on complex reasoning benchmarks (GPQA, GAIA, WebWalkerQA, HLE) and scientific report generation tasks (Glaive) demonstrate that WebThinker significantly outperforms existing methods and strong proprietary systems. Our approach enhances LRM reliability and applicability in complex scenarios, paving the way for more capable and versatile deep research systems. The code is available at https://github.com/RUC-NLPIR/WebThinker.


Can Multimodal LLMs See Materials Clearly? A Multimodal Benchmark on Materials Characterization

arXiv.org Artificial Intelligence

Materials characterization is fundamental to acquiring materials information, revealing the processing-microstructure-property relationships that guide material design and optimization. While multimodal large language models (MLLMs) have recently shown promise in generative and predictive tasks within materials science, their capacity to understand real-world characterization imaging data remains underexplored. To bridge this gap, we present MatCha, the first benchmark for materials characterization image understanding, comprising 1,500 questions that demand expert-level domain expertise. MatCha encompasses four key stages of materials research comprising 21 distinct tasks, each designed to reflect authentic challenges faced by materials scientists. Our evaluation of state-of-the-art MLLMs on MatCha reveals a significant performance gap compared to human experts. These models exhibit degradation when addressing questions requiring higher-level expertise and sophisticated visual perception. Simple few-shot and chain-of-thought prompting struggle to alleviate these limitations. These findings highlight that existing MLLMs still exhibit limited adaptability to real-world materials characterization scenarios. We hope MatCha will facilitate future research in areas such as new material discovery and autonomous scientific agents. MatCha is available at https://github.com/FreedomIntelligence/MatCha.


Rapid Manufacturing of Lightweight Drone Frames Using Single-Tow Architected Composites

arXiv.org Artificial Intelligence

The demand for lightweight and high-strength composite structures is rapidly growing in aerospace and robotics, particularly for optimized drone frames. However, conventional composite manufacturing methods struggle to achieve complex 3D architectures for weight savings and rely on assembling separate components, which introduce weak points at the joints. Additionally, maintaining continuous fiber reinforcement remains challenging, limiting structural efficiency. In this study, we demonstrate the lightweight Face Centered Cubic (FFC) lattice structured conceptualization of drone frames for weight reduction and complex topology fabrication through 3D Fiber Tethering (3DFiT) using continuous single tow fiber ensuring precise fiber alignment, eliminating weak points associated with traditional composite assembly. Mechanical testing demonstrates that the fabricated drone frame exhibits a high specific strength of around four to eight times the metal and thermoplastic, outperforming other conventional 3D printing methods. The drone frame weighs only 260 g, making it 10% lighter than the commercial DJI F450 frame, enhancing structural integrity and contributing to an extended flight time of three minutes, while flight testing confirms its stability and durability under operational conditions. The findings demonstrate the potential of single tow lattice truss-based drone frames, with 3DFiT serving as a scalable and efficient manufacturing method.


3D Printable Gradient Lattice Design for Multi-Stiffness Robotic Fingers

arXiv.org Artificial Intelligence

Human fingers achieve exceptional dexterity and adaptability by combining structures with varying stiffness levels, from soft tissues (low) to tendons and cartilage (medium) to bones (high). This paper explores developing a robotic finger with similar multi-stiffness characteristics. Specifically, we propose using a lattice configuration, parameterized by voxel size and unit cell geometry, to optimize and achieve fine-tuned stiffness properties with high granularity. A significant advantage of this approach is the feasibility of 3D printing the designs in a single process, eliminating the need for manual assembly of elements with differing stiffness. Based on this method, we present a novel, human-like finger, and a soft gripper. We integrate the latter with a rigid manipulator and demonstrate the effectiveness in pick and place tasks.


Development and Comparison of Model-Based and Data-Driven Approaches for the Prediction of the Mechanical Properties of Lattice Structures

arXiv.org Artificial Intelligence

Lattice structures have great potential for several application fields ranging from medical and tissue engineering to aeronautical one. Their development is further speeded up by the continuing advances in additive manufacturing technologies that allow to overcome issues typical of standard processes and to propose tailored designs. However, the design of lattice structures is still challenging since their properties are considerably affected by numerous factors. The present paper aims to propose, discuss, and compare various modeling approaches to describe, understand, and predict the correlations between the mechanical properties and the void volume fraction of different types of lattice structures fabricated by fused deposition modeling 3D printing. Particularly, four approaches are proposed: (i) a simplified analytical model; (ii) a semi-empirical model combining analytical equations with experimental correction factors; (iii) an artificial neural network trained on experimental data; (iv) numerical simulations by finite element analyses. The comparison among the various approaches, and with experimental data, allows to identify the performances, advantages, and disadvantages of each approach, thus giving important guidelines for choosing the right design methodology based on the needs and available data.


Advanced Displacement Magnitude Prediction in Multi-Material Architected Lattice Structure Beams Using Physics Informed Neural Network Architecture

arXiv.org Artificial Intelligence

This paper proposes an innovative method for predicting deformation in architected lattice structures that combines Physics-Informed Neural Networks (PINNs) with finite element analysis. A thorough study was carried out on FCC-based lattice beams utilizing five different materials (Structural Steel, AA6061, AA7075, Ti6Al4V, and Inconel 718) under varied edge loads (1000-10000 N). The PINN model blends data-driven learning with physics-based limitations via a proprietary loss function, resulting in much higher prediction accuracy than linear regression. PINN outperforms linear regression, achieving greater R-square (0.7923 vs 0.5686) and lower error metrics (MSE: 0.00017417 vs 0.00036187). Among the materials examined, AA6061 had the highest displacement sensitivity (0.1014 mm at maximum load), while Inconel718 had better structural stability.


Inverse design of potential metastructures inspired from Indian medieval architectural elements

arXiv.org Artificial Intelligence

In this study, we immerse in the intricate world of patterns, examining the structural details of Indian medieval architecture for the discovery of motifs with great application potential from the mechanical metastructure perspective. The motifs that specifically engrossed us are derived from the tomb of I'timad-ud-Daula, situated in the city of Agra, close to the Taj Mahal. In an exploratory study, we designed nine interlaced metastructures inspired from the tomb's motifs. We fabricated the metastructures using additive manufacturing and studied their vibration characteristics experimentally and numerically. We also investigated bandgap modulation with metallic inserts in honeycomb interlaced metastructures. The comprehensive study of these metastructure panels reveals their high performance in controlling elastic wave propagation and generating suitable frequency bandgaps, hence having potential applications as waveguides for noise and vibration control. Finally, we developed a novel AI-based model trained on numerical datasets for the inverse design of metastructures with a desired bandgap.


MetaScientist: A Human-AI Synergistic Framework for Automated Mechanical Metamaterial Design

arXiv.org Artificial Intelligence

The discovery of novel mechanical metamaterials, whose properties are dominated by their engineered structures rather than chemical composition, is a knowledge-intensive and resource-demanding process. To accelerate the design of novel metamaterials, we present MetaScientist, a human-in-the-loop system that integrates advanced AI capabilities with expert oversight with two primary phases: (1) hypothesis generation, where the system performs complex reasoning to generate novel and scientifically sound hypotheses, supported with domain-specific foundation models and inductive biases retrieved from existing literature; (2) 3D structure synthesis, where a 3D structure is synthesized with a novel 3D diffusion model based on the textual hypothesis and refined it with a LLM-based refinement model to achieve better structure properties. At each phase, domain experts iteratively validate the system outputs, and provide feedback and supplementary materials to ensure the alignment of the outputs with scientific principles and human preferences. Through extensive evaluation from human scientists, MetaScientist is able to deliver novel and valid mechanical metamaterial designs that have the potential to be highly impactful in the metamaterial field.