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Exploration of transferable and uniformly accurate neural network interatomic potentials using optimal experimental design.

Viktor ZaverkinJohannes Kästner
Published in: Mach. Learn. Sci. Technol. (2021)
Keyphrases
  • experimental design
  • neural network
  • stochastic dynamic programming
  • active learning
  • empirical studies
  • experimental designs
  • sample size
  • machine learning
  • worst case
  • class imbalance