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In the emerging field of mechanical metamaterials, using periodic lattice structures as a primary ingredient is relatively frequent. However, the choice of aperiodic lattices in these structures presents unique advantages regarding failure,…

Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional…

机器学习 · 计算机科学 2024-03-21 Ivan Grega , Ilyes Batatia , Gábor Csányi , Sri Karlapati , Vikram S. Deshpande

The rise of machine learning has fueled the discovery of new materials and, especially, metamaterials--truss lattices being their most prominent class. While their tailorable properties have been explored extensively, the design of…

计算工程、金融与科学 · 计算机科学 2024-04-17 Li Zheng , Konstantinos Karapiperis , Siddhant Kumar , Dennis M. Kochmann

We present a graph-based deep learning framework for predicting the magnetic properties of quasi-one-dimensional Ising spin systems. The lattice geometry is encoded as a graph and processed by a graph neural network (GNN) followed by fully…

无序系统与神经网络 · 物理学 2025-07-24 V. Slavin , O. Kryvchikov , D. Laptev

This study presents a deep learning approach to predicting structural and electronic properties of materials using Graph Neural Networks (GNNs). Leveraging data from the Materials Project database, we construct graph representations of…

无序系统与神经网络 · 物理学 2024-12-20 Selva Chandrasekaran Selvaraj

Force chains, which are quasi-linear self-organised structures carrying large stresses, are ubiquitous in jammed amorphous materials, such as granular materials, foams, emulsions or even assemblies of cells. Predicting where they will form…

软凝聚态物质 · 物理学 2022-08-24 Rituparno Mandal , Corneel Casert , Peter Sollich

Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary shapes, mesh topologies, and material parameters, existing…

机器学习 · 计算机科学 2026-04-30 Jiahong Wang , Logan Numerow , Stelian Coros , Christian Theobalt , Vahid Babaei , Bernhard Thomaszewski

In robotics, it's crucial to understand object deformation during tactile interactions. A precise understanding of deformation can elevate robotic simulations and have broad implications across different industries. We introduce a method…

计算机视觉与模式识别 · 计算机科学 2024-02-07 Mahdi Saleh , Michael Sommersperger , Nassir Navab , Federico Tombari

Various machine learning models have been used to predict the properties of polycrystalline materials, but none of them directly consider the physical interactions among neighboring grains despite such microscopic interactions critically…

材料科学 · 物理学 2021-07-16 Minyi Dai , Mehmet F. Demirel , Yingyu Liang , Jia-Mian Hu

Machine learning (ML) methods have gained increasing popularity in exploring and developing new materials. More specifically, graph neural network (GNN) has been applied in predicting material properties. In this work, we develop a novel…

计算物理 · 物理学 2020-08-18 Steph-Yves Louis , Yong Zhao , Alireza Nasiri , Xiran Wong , Yuqi Song , Fei Liu , Jianjun Hu

Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

机器学习 · 计算机科学 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

机器学习 · 计算机科学 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

材料科学 · 物理学 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

Predictive models are a crucial component of many robotic systems. Yet, constructing accurate predictive models for a variety of deformable objects, especially those with unknown physical properties, remains a significant challenge. This…

机器人学 · 计算机科学 2024-07-11 Kaifeng Zhang , Baoyu Li , Kris Hauser , Yunzhu Li

Carbon fiber and graphene-based nanostructures such as carbon nanotubes (CNTs) and defective structures have extraordinary potential as strong and lightweight materials. A longstanding bottleneck has been lack of understanding and…

材料科学 · 物理学 2021-10-26 Qi Zhao , Jordan J. Winetrout , Yanxun Xu , Yusu Wang , Hendrik Heinz

Modern microelectronic devices are composed of interfaces between a large number of materials, many of which are in amorphous or polycrystalline phases. Modeling such non-crystalline materials using first-principles methods such as density…

材料科学 · 物理学 2023-10-12 Pratik Brahma , Krishnakumar Bhattaram , Sayeef Salahuddin

Understanding the dynamic processes of the glassy system continues to be challenging. Recent advances have shown the power of graph neural networks (GNNs) for determining the correlation between structure and dynamics in the glassy system.…

无序系统与神经网络 · 物理学 2023-10-18 Xiao Jiang , Zean Tian , Kenli Li

Accurate prediction of structural displacements under external loading is fundamental to structural health monitoring and seismic safety assessment. Although the finite element method (FEM) remains the prevailing approach because of its…

机器学习 · 计算机科学 2026-05-12 Hung-Fu Chang , Tzu-Kang Lin , Yung-Li Cheng

Simulating object deformations is a critical challenge across many scientific domains, including robotics, manufacturing, and structural mechanics. Learned Graph Network Simulators (GNSs) offer a promising alternative to traditional…

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

机器学习 · 计算机科学 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim
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