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We develop a PyTorch-based Graph Network Simulator (GNS) that learns physics and predicts the flow behavior of particulate and fluid systems. GNS discretizes the domain with nodes representing a collection of material points and the links…

Machine Learning · Computer Science 2022-11-21 Krishna Kumar , Joseph Vantassel

Utilizing machine learning to address partial differential equations (PDEs) presents significant challenges due to the diversity of spatial domains and their corresponding state configurations, which complicates the task of encompassing all…

Machine Learning · Computer Science 2024-05-28 Masanobu Horie , Naoto Mitsume

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.…

Disordered Systems and Neural Networks · Physics 2023-10-18 Xiao Jiang , Zean Tian , Kenli Li

In recent years, Graph Neural Network (GNN) based models have shown promising results in simulating physics of complex systems. However, training dedicated graph network based physics simulators can be costly, as most models are confined to…

Machine Learning · Computer Science 2025-02-12 Siqi Shen , Yu Liu , Daniel Biggs , Omar Hafez , Jiandong Yu , Wentao Zhang , Bin Cui , Jiulong Shan

Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab-initio calculations) and at speeds suitable for molecular dynam- ics simulation. Best…

Computational Physics · Physics 2017-05-03 G. Ferré , T. Haut , K. Barros

Machine learning force fields possess unprecedented potential in achieving both accuracy and efficiency in molecular simulations. Nevertheless, their application in organic systems is often hindered by structural collapse during simulation…

Computational Physics · Physics 2026-02-03 Junbao Hu , Dingyu Hou , Jian Jiang

Predictive Physics has been historically based upon the development of mathematical models that describe the evolution of a system under certain external stimuli and constraints. The structure of such mathematical models relies on a set of…

Machine Learning · Computer Science 2020-11-24 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose A. Sanz-Herrera , Manuel Doblaré

Incorporating inductive biases into ML models is an active area of ML research, especially when ML models are applied to data about the physical world. Equivariant Graph Neural Networks (GNNs) have recently become a popular method for…

Machine Learning · Computer Science 2023-11-07 Savannah Thais , Daniel Murnane

Understanding the dynamical processes that govern the performance of functional materials is essential for the design of next generation materials to tackle global energy and environmental challenges. Many of these processes involve the…

Materials Science · Physics 2019-07-11 Tian Xie , Arthur France-Lanord , Yanming Wang , Yang Shao-Horn , Jeffrey C. Grossman

We introduce latent intuitive physics, a transfer learning framework for physics simulation that can infer hidden properties of fluids from a single 3D video and simulate the observed fluid in novel scenes. Our key insight is to use latent…

Artificial Intelligence · Computer Science 2024-08-06 Xiangming Zhu , Huayu Deng , Haochen Yuan , Yunbo Wang , Xiaokang Yang

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Machine Learning · Computer Science 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang

Simulating dynamic physical interactions is a critical challenge across multiple scientific domains, with applications ranging from robotics to material science. For mesh-based simulations, Graph Network Simulators (GNSs) pose an efficient…

Machine Learning · Computer Science 2023-11-10 Philipp Dahlinger , Niklas Freymuth , Michael Volpp , Tai Hoang , Gerhard Neumann

Graph network-based simulators (GNS) have demonstrated strong potential for learning particle-based physics (such as fluids, deformable solids, and granular flows) while generalizing to unseen geometries due to their inherent inductive…

Machine Learning · Computer Science 2026-04-27 Naveen Raj Manoharan , Hassan Iqbal , Krishna Kumar

Although Finite Element Analysis (FEA) is an integral part of the product design lifecycle, the analysis is computationally expensive, making it unsuitable for many design optimization problems. The deep learning models can be a great…

Machine Learning · Computer Science 2025-10-20 Nayan Kumar Singh

Recent advances in generative AI offer promising solutions for synthetic data generation but often rely on large datasets for effective training. To address this limitation, we propose a novel generative model that learns from limited data…

Machine Learning · Statistics 2025-05-27 Michail Spitieris , Massimiliano Ruocco , Abdulmajid Murad , Alessandro Nocente

Manipulation of granular materials such as sand or rice remains an unsolved problem due to challenges such as the difficulty of defining their configuration or modeling the materials and their particles interactions. Current approaches tend…

Robotics · Computer Science 2022-03-15 Neea Tuomainen , David Blanco-Mulero , Ville Kyrki

Humans demonstrate remarkable abilities to predict physical events in complex scenes. Two classes of models for physical scene understanding have recently been proposed: "Intuitive Physics Engines", or IPEs, which posit that people make…

Artificial Intelligence · Computer Science 2016-10-05 Renqiao Zhang , Jiajun Wu , Chengkai Zhang , William T. Freeman , Joshua B. Tenenbaum

The control of high-dimensional systems, such as soft robots, requires models that faithfully capture complex dynamics while remaining computationally tractable. This work presents a framework that integrates Graph Neural Network…

Physics-based simulations are often used to model and understand complex physical systems and processes in domains like fluid dynamics. Such simulations, although used frequently, have many limitations which could arise either due to the…

Machine Learning · Computer Science 2019-11-12 Nikhil Muralidhar , Jie Bu , Ze Cao , Long He , Naren Ramakrishnan , Danesh Tafti , Anuj Karpatne

We introduce the concept of a Graph-Informed Neural Network (GINN), a hybrid approach combining deep learning with probabilistic graphical models (PGMs) that acts as a surrogate for physics-based representations of multiscale and…

Computational Physics · Physics 2021-03-17 Eric J. Hall , Søren Taverniers , Markos A. Katsoulakis , Daniel M. Tartakovsky
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