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Machine learning plays an increasingly important role in many areas of chemistry and materials science, e.g. to predict materials properties, to accelerate simulations, to design new materials, and to predict synthesis routes of new…

We propose GrainGNN, a surrogate model for the evolution of polycrystalline grain structure under rapid solidification conditions in metal additive manufacturing. High fidelity simulations of solidification microstructures are typically…

Computational Engineering, Finance, and Science · Computer Science 2024-02-02 Yigong Qin , Stephen DeWitt , Balasubramaniam Radhakrishnan , George Biros

There is growing interest in automating agricultural tasks that require intricate and precise interaction with specialty crops, such as trees and vines. However, developing robotic solutions for crop manipulation remains a difficult…

Robotics · Computer Science 2023-11-14 Chung Hee Kim , Moonyoung Lee , Oliver Kroemer , George Kantor

Aerosol effects on climate, weather, and air quality depend on characteristics of individual particles, which are tremendously diverse and change in time. Particle-resolved models are the only models able to capture this diversity in…

Atmospheric and Oceanic Physics · Physics 2026-01-06 Fabiana Ferracina , Payton Beeler , Mahantesh Halappanavar , Bala Krishnamoorthy , Marco Minutoli , Laura Fierce

Physics-based manipulation in clutter involves complex interaction between multiple objects. In this paper, we consider the problem of learning, from interaction in a physics simulator, manipulation skills to solve this multi-step…

Robotics · Computer Science 2019-07-29 Wissam Bejjani , Mehmet R. Dogar , Matteo Leonetti

Recent work has demonstrated that geometric deep learning methods such as graph neural networks (GNNs) are well suited to address a variety of reconstruction problems in high energy particle physics. In particular, particle tracking data is…

High Energy Physics - Experiment · Physics 2023-02-07 Gage DeZoort , Savannah Thais , Javier Duarte , Vesal Razavimaleki , Markus Atkinson , Isobel Ojalvo , Mark Neubauer , Peter Elmer

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…

Soft Condensed Matter · Physics 2022-08-24 Rituparno Mandal , Corneel Casert , Peter Sollich

Simulations with an explicit description of intermolecular forces using electronic structure methods are still not feasible for many systems of interest. As a result, empirical methods such as force fields (FF) have become an established…

Chemical Physics · Physics 2022-06-02 Moritz Thürlemann , Lennard Böselt , Sereina Riniker

Graph neural networks (GNNs) are widely used for modeling complex interactions between entities represented as vertices of a graph. Despite recent efforts to theoretically analyze the expressive power of GNNs, a formal characterization of…

Machine Learning · Computer Science 2023-10-24 Noam Razin , Tom Verbin , Nadav Cohen

Modeling and manipulating elasto-plastic objects are essential capabilities for robots to perform complex industrial and household interaction tasks (e.g., stuffing dumplings, rolling sushi, and making pottery). However, due to the high…

Robotics · Computer Science 2022-05-09 Haochen Shi , Huazhe Xu , Zhiao Huang , Yunzhu Li , Jiajun Wu

We present a multiscale simulation algorithm for amorphous materials, which we illustrate and validate in a canonical case of dense granular flow. Our algorithm is based on the recently proposed Spot Model, where particles in a dense random…

Soft Condensed Matter · Physics 2009-11-11 Chris H. Rycroft , Martin Z. Bazant , Gary S. Grest , James W. Landry

Granular materials such as sand, powders, foams etc. are ubiquitous in our daily life, as well as in industrial and geotechnical applications. Although these disordered systems form stable structures if unperturbed, in practice they do…

Soft Condensed Matter · Physics 2018-02-28 Binquan Kou , Yixin Cao , Jindong Li , Chengjie Xia , Zhifeng Li , Haipeng Dong , Ang Zhang , Jie Zhang , Walter Kob , Yujie Wang

We introduce a novel framework that integrates Neural Radiance Fields (NeRF) with Material Point Method (MPM) simulation to infer granular material properties from visual observations. Our approach begins by generating synthetic…

Computer Vision and Pattern Recognition · Computer Science 2025-07-15 Cheng-Hsi Hsiao , Krishna Kumar

Networks can be highly complex systems with numerous interconnected components and interactions. Granular computing offers a framework to manage this complexity by decomposing networks into smaller, more manageable components, or granules.…

Social and Information Networks · Computer Science 2025-03-06 Hibba Arshad , Imran Javaid

The interaction of neural networks with physical equations offers a wide range of applications. We provide a method which enables a neural network to transform objects subject to given physical constraints. Therefore an U-Net architecture…

Artificial Intelligence · Computer Science 2021-03-22 Lukas Harsch , Johannes Burgbacher , Stefan Riedelbauch

Molecular dynamics simulations are a central computational methodology in materials design for relating atomic composition to mechanical properties. However, simulating materials with atomic-level resolution on a macroscopic scale is…

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Machine Learning · Computer Science 2019-11-19 Ferran Alet , Adarsh K. Jeewajee , Maria Bauza , Alberto Rodriguez , Tomas Lozano-Perez , Leslie Pack Kaelbling

Granular materials such as sand, powders, and food grains are ubiquitous in civil engineering, geoscience, agriculture, and medicine. While the influence of friction between the grains on the static structure of these systems is well…

Soft Condensed Matter · Physics 2024-05-16 Qinghao Mao , Yujie Wang , Walter Kob

Reliable evaluations of geotechnical hazards like landslides and debris flow require accurate simulation of granular flow dynamics. Traditional numerical methods can simulate the complex behaviors of such flows that involve solid-like to…

Geophysics · Physics 2023-11-14 Yongjin Choi , Krishna Kumar

Microstructural evolution in structural materials is known to occur in response to mechanical loading and can often accommodate substantial plastic deformation through the coupled motion of grain boundaries (GBs). This can produce desirable…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 Daniel Bugas , Brandon Runnels