Improving materials property predictions for graph neural networks with minimal feature engineering Notice: This manuscript has been authored in part by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of

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Bibliographic Details
Published inMachine learning: science and technology Vol. 4; no. 3
Main Authors Cong, Guojing, Fung, Victor
Format Journal Article
LanguageEnglish
Published IOP Publishing 25.08.2023
Subjects
feature engineering
GNN
materials
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Bibliography:MLST-101121.R1
ISSN:2632-2153
DOI:10.1088/2632-2153/acefab