Model-free quantification of completeness, uncertainties, and outliers in atomistic machine learning using information theory

Fuente: arXiv

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Bibliographic Details
Main Authors:	Schwalbe-Koda, Daniel, Hamel, Sebastien, Sadigh, Babak, Zhou, Fei, Lordi, Vincenzo
Format:	Preprint
Published:	2024
Subjects:	Materials Science Machine Learning Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2404.12367