Towards overcoming data scarcity in materials science: unifying models and datasets with a mixture of experts framework

Abstract While machine learning has emerged in recent years as a useful tool for the rapid prediction of materials properties, generating sufficient data to reliably train models without overfitting is often impractical. Towards overcoming this limitation, we present a general framework for leveragi...

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Bibliographic Details
Main Authors: Rees Chang, Yu-Xiong Wang, Elif Ertekin
Format: Article
Language:English
Published: Nature Portfolio 2022-11-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-022-00929-x