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We contribute to the vastly growing field of machine learning for engineering systems by demonstrating that equivariant graph neural networks have the potential to learn more accurate dynamic-interaction models than their non-equivariant…

Machine Learning · Computer Science 2023-04-04 Artur P. Toshev , Gianluca Galletti , Johannes Brandstetter , Stefan Adami , Nikolaus A. Adams

Graph neural networks (GNNs) have shown promise in learning unstructured mesh-based simulations of physical systems, including fluid dynamics. In tandem, geometric deep learning principles have informed the development of equivariant…

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…

Machine Learning · Computer Science 2022-02-17 Victor Garcia Satorras , Emiel Hoogeboom , Max Welling

We present a new class of equivariant neural networks, hereby dubbed Lattice-Equivariant Neural Networks (LENNs), designed to satisfy local symmetries of a lattice structure. Our approach develops within a recently introduced framework…

Computational Physics · Physics 2025-04-30 Giulio Ortali , Alessandro Gabbana , Imre Atmodimedjo , Alessandro Corbetta

Modeling the complex three-dimensional (3D) dynamics of relational systems is an important problem in the natural sciences, with applications ranging from molecular simulations to particle mechanics. Machine learning methods have achieved…

Recently, the application of machine learning models has gained momentum in natural sciences and engineering, which is a natural fit due to the abundance of data in these fields. However, the modeling of physical processes from simulation…

Machine Learning · Computer Science 2021-05-05 Andreas Mayr , Sebastian Lehner , Arno Mayrhofer , Christoph Kloss , Sepp Hochreiter , Johannes Brandstetter

This work introduces a new neural model which follows the transport equation by design. A physical problem, the Taylor-Green vortex, defined on a bi-periodic domain, is used as a benchmark to evaluate the performance of both the standard…

Computational Engineering, Finance, and Science · Computer Science 2024-10-08 Amirmahdi Jafari

Is a deep learning model capable of understanding systems governed by certain first principle laws by only observing the system's output? Can deep learning learn the underlying physics and honor the physics when making predictions? The…

Computational Physics · Physics 2020-06-11 Rohan Thavarajah , Xiang Zhai , Zheren Ma , David Castineira

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks…

Machine Learning · Computer Science 2023-02-03 Abishek Thangamuthu , Gunjan Kumar , Suresh Bishnoi , Ravinder Bhattoo , N M Anoop Krishnan , Sayan Ranu

We demonstrate how deep convolutional neural networks can be trained to predict 2+1 D hydrodynamic simulation results for flow coefficients, mean-transverse-momentum and charged particle multiplicity from the initial energy density profile.…

High Energy Physics - Phenomenology · Physics 2024-04-04 H. Hirvonen , K. J. Eskola , H. Niemi

While deep learning has shown tremendous success in a wide range of domains, it remains a grand challenge to incorporate physical principles in a systematic manner to the design, training, and inference of such models. In this paper, we aim…

Computational Physics · Physics 2020-06-16 Rui Wang , Karthik Kashinath , Mustafa Mustafa , Adrian Albert , Rose Yu

Numerical simulators are essential tools in the study of natural fluid-systems, but their performance often limits application in practice. Recent machine-learning approaches have demonstrated their ability to accelerate spatio-temporal…

Fluid Dynamics · Physics 2022-05-06 Mario Lino , Stathi Fotiadis , Anil A. Bharath , Chris Cantwell

We present a rotation equivariant, quasi-monolithic graph neural network framework for the reduced-order modeling of fluid-structure interaction systems. With the aid of an arbitrary Lagrangian-Eulerian formulation, the system states are…

Fluid Dynamics · Physics 2024-10-08 Rui Gao , Rajeev K. Jaiman

Predicting particle transport in complex flows is traditionally achieved by solving the Navier-Stokes equations. While various numerical and experimental methods exist, they typically require deep physical insights and incur high…

Fluid Dynamics · Physics 2025-11-03 Jingdi Wan , Hongping Wang , Bo Liu , Xiaolei Yang , Xiaodong Hu , Shengze Cai , Guowei He , Yang Liu

Representing and reasoning about 3D structures of macromolecules is emerging as a distinct challenge in machine learning. Here, we extend recent work on geometric vector perceptrons and apply equivariant graph neural networks to a wide…

Machine Learning · Computer Science 2021-07-14 Bowen Jing , Stephan Eismann , Pratham N. Soni , Ron O. Dror

This paper introduces a generative model equivariant to Euclidean symmetries: E(n) Equivariant Normalizing Flows (E-NFs). To construct E-NFs, we take the discriminative E(n) graph neural networks and integrate them as a differential…

Machine Learning · Computer Science 2022-01-17 Victor Garcia Satorras , Emiel Hoogeboom , Fabian B. Fuchs , Ingmar Posner , Max Welling

The increasing scale of alternating current and direct current (AC/DC) hybrid systems necessitates a faster power flow analysis tool than ever. This letter thus proposes a specific physics-guided graph neural network (PG-GNN). The tailored…

Systems and Control · Electrical Eng. & Systems 2023-05-02 Mei Yang , Gao Qiu , Yong Wu , Junyong Liu , Nina Dai , Yue Shui , Kai Liu , Lijie Ding

3D Euclidean symmetry equivariant neural networks have demonstrated notable success in modeling complex physical systems. We introduce a framework for relaxed $E(3)$ graph equivariant neural networks that can learn and represent symmetry…

Machine Learning · Computer Science 2024-12-11 Elyssa Hofgard , Rui Wang , Robin Walters , Tess Smidt

Modeling and simulation of complex fluid flows with dynamics that span multiple spatio-temporal scales is a fundamental challenge in many scientific and engineering domains. Full-scale resolving simulations for systems such as highly…

Machine Learning · Computer Science 2025-02-13 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

Graph Neural Networks (GNNs) have become a prevailing tool for learning physical dynamics. However, they still encounter several challenges: 1) Physical laws abide by symmetry, which is a vital inductive bias accounting for model…

Machine Learning · Computer Science 2022-10-14 Jiaqi Han , Wenbing Huang , Hengbo Ma , Jiachen Li , Joshua B. Tenenbaum , Chuang Gan
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