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LEARNING MATTER

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

Submitted by kpg@mit.edu on Wed, 2023-05-10 15:50

kpg@mit.edu's picture
A. Rui Tan, Urata, S., Goldman, S., Dietschreit, J. C. B., and Gómez-Bombarelli, R., “Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles”, arXiv:2305.01754, 2023.
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