Robust and scalable uncertainty estimation with conformal prediction for machine-learned interatomic potentials-MedSci.cn

Robust and scalable uncertainty estimation with conformal prediction for machine-learned interatomic potentials

Hu, YG; Musielewicz, J; Ulissi, ZW; Medford, AJ

Medford, AJ (通讯作者)，Georgia Inst Technol, Dept Chem & Biomol Engn, Atlanta, GA 30332 USA.

MACHINE LEARNING-SCIENCE AND TECHNOLOGY, 2022; 3 (4):

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