Self-consistent validation for machine learning electronic structure

<p>Machine learning has emerged as a significant approach to efficiently tackle electronic structure problems. Despite its potential, there is less guarantee for the model to generalize to unseen data that hinders its application in real-world scenarios. To address this issue, a technique has...

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Dettagli Bibliografici
Autori principali: Hu, G, Wei, G, Lou, Z, Torr, PHS, Ouyang, W, Zhong, H-s, Lin, C
Natura: Conference item
Lingua:English
Pubblicazione: 2024