Unified regression model in fitting potential energy surfaces for quantum dynamics

DOI10.1007/S10910-022-01400-4MaRDI QIDQ2084807zbMATH OpenOpenAlexFDO

Authors Qingfei Song, Zekai Miao, Qiuyu Zhang, Qingyong Meng, XingYu Zhang

Publication date 13 October 2022

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-022-01400-4

Mathematics Subject Classification ID

Computer science (68-XX) Artificial intelligence (68Txx)

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Cites work

• Bayesian learning for neural networks
• Mathematics for Machine Learning
• On the eigenvector bias of Fourier feature networks: from regression to solving multi-scale PDEs with physics-informed neural networks
• SVMTorch: Support vector machines for large-scale regression problems.

Describes a project that uses

Uses Software

• MOLPRO

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