Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles

• Tan, Aik Rui
• Urata, Shingo
• Goldman, Samuel
• Dietschreit, Johannes CB
• Gómez-Bombarelli, Rafael

Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles

arXiv:2305.01754

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2023

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