Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracy
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Title
Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracy
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 148, Issue 24, Pages 241702
Publisher
AIP Publishing
Online
2018-03-15
DOI
10.1063/1.5003074
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