Effects of aleatoric and epistemic errors in reference data on the learnability and quality of NN-based potential energy surfaces

Goswami, Sugata; Käser, Silvan; Bemish, Raymond J.; Meuwly, Markus

doi:10.1016/j.aichem.2023.100033

Artificial Intelligence Chemistry

2024

DOI: 10.1016/j.aichem.2023.100033

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Effects of aleatoric and epistemic errors in reference data on the learnability and quality of NN-based potential energy surfaces

Sugata Goswami,

Silvan Käser,

Raymond J. Bemish

et al.

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Effects of aleatoric and epistemic errors in reference data on the learnability and quality of NN-based potential energy surfaces

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References 32 publications

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