Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning

  1. Carrete, J.
  2. Montes-Campos, H.
  3. Wanzenböck, R.
  4. Heid, E.
  5. Madsen, G.K.H.
Journal:
Journal of Chemical Physics

ISSN: 1089-7690 0021-9606

Year of publication: 2023

Volume: 158

Issue: 20

Type: Article

DOI: 10.1063/5.0146905 GOOGLE SCHOLAR lock_openOpen access editor