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Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles.
Aik Rui Tan
Shingo Urata
Samuel Goldman
Johannes C. B. Dietschreit
Rafael Gómez-Bombarelli
Published in:
CoRR (2023)
Keyphrases
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neural network
theoretical framework
cost function
probabilistic model
computational model
statistical model
prediction model
associative memory
network model
machine learning
information retrieval
training set
management system
mathematical model
formal model
multi layer