Atomistic Line Graph Neural Network for improved materials property predictions
Abstract Graph neural networks (GNN) have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning models. While most existing GNN models for atomistic predictions are based on atomic distance inform...
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| Auteurs principaux: | , |
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| Format: | article |
| Langue: | EN |
| Publié: |
Nature Portfolio
2021
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| Sujets: | |
| Accès en ligne: | https://doaj.org/article/61a150a846574ac2a1dffb7b2b7fc925 |
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