How Graph Neural Network Interatomic Potentials Extrapolate: Role of the message-passing algorithm

Name: How Graph Neural Network Interatomic Potentials Extrapolate: Role of the message-passing algorithm
Published: 2024-11-08T05:06:22+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: machine learning potential

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posted on 2024-11-08, 05:06 authored by Sungwoo KangSungwoo Kang

Supplementary data regarding the graph neural network interatomic potential paper

How Graph Neural Network Interatomic Potentials Extrapolate: Role of the message-passing algorithm

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