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DeePKS+ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials.
Wenfei Li
Qi Ou
Yixiao Chen
Yu Cao
Renxi Liu
Chunyi Zhang
Daye Zheng
Chun Cai
Xifan Wu
Han Wang
Mohan Chen
Linfeng Zhang
Published in:
CoRR (2022)
Keyphrases
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machine learning
machine learning algorithms
machine learning methods
machine learning approaches
model selection
probabilistic model
parameter estimation
complex systems
statistical models
computationally expensive
explanation based learning
decision trees
active learning
high order
random fields