Improved Uncertainty Estimation of Graph Neural Network Potentials Using Engineered Latent Space Distances

Fuente: arXiv

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Bibliographic Details
Main Authors:	Musielewicz, Joseph, Lan, Janice, Uyttendaele, Matt, Kitchin, John R.
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2407.10844