Scalable deeper graph neural networks for high-performance materials property prediction

Summary: Machine-learning-based materials property prediction models have emerged as a promising approach for new materials discovery, among which the graph neural networks (GNNs) have shown the best performance due to their capability to learn high-level features from crystal structures. However, e...

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Bibliographic Details
Main Authors: Sadman Sadeed Omee, Steph-Yves Louis, Nihang Fu, Lai Wei, Sourin Dey, Rongzhi Dong, Qinyang Li, Jianjun Hu
Format: Article
Language:English
Published: Elsevier 2022-05-01
Series:Patterns
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2666389922000769