AnisoGNN: graph neural networks generalizing to anisotropic properties of polycrystals

Fuente: arXiv
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Autori principali: Hu, Guangyu, Latypov, Marat I.
Natura: Preprint
Pubblicazione: 2024
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author Hu, Guangyu
Latypov, Marat I.
author_facet Hu, Guangyu
Latypov, Marat I.
contents We present AnisoGNNs -- graph neural networks (GNNs) that generalize predictions of anisotropic properties of polycrystals in arbitrary testing directions without the need in excessive training data. To this end, we develop GNNs with a physics-inspired combination of node attributes and aggregation function. We demonstrate the excellent generalization capabilities of AnisoGNNs in predicting anisotropic elastic and inelastic properties of two alloys.
format Preprint
id arxiv_https___arxiv_org_abs_2401_16271
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle AnisoGNN: graph neural networks generalizing to anisotropic properties of polycrystals
Hu, Guangyu
Latypov, Marat I.
Materials Science
We present AnisoGNNs -- graph neural networks (GNNs) that generalize predictions of anisotropic properties of polycrystals in arbitrary testing directions without the need in excessive training data. To this end, we develop GNNs with a physics-inspired combination of node attributes and aggregation function. We demonstrate the excellent generalization capabilities of AnisoGNNs in predicting anisotropic elastic and inelastic properties of two alloys.
title AnisoGNN: graph neural networks generalizing to anisotropic properties of polycrystals
topic Materials Science
url https://arxiv.org/abs/2401.16271