"Graph Neural Network Interatomic Potential Ensembles with Calibrated ..."

Jonas Busk et al. (2023)

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DOI: 10.48550/ARXIV.2305.16325

access: open

type: Informal or Other Publication

metadata version: 2023-06-06

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  - journals/corr/abs-2305-16325
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  - https://dblp.org/rec/journals/corr/abs-2305-16325
Jonas Busk, Mikkel N. Schmidt, Ole Winther, Tejs Vegge, Peter Bjørn Jørgensen:
Graph Neural Network Interatomic Potential Ensembles with Calibrated Aleatoric and Epistemic Uncertainty on Energy and Forces. CoRR abs/2305.16325 (2023)

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