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A Q-learning method based on coarse-to-fine potential energy surface for locating transition state and reaction pathway.
Wenjun Xu
Yanling Zhao
Jialu Chen
Zhongyu Wan
Dadong Yan
Xinghua Zhang
Ruiqin Zhang
Published in:
J. Comput. Chem. (2024)
Keyphrases
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coarse to fine
dynamic programming
state space
machine learning
multiscale
segmentation method
matching scheme
hierarchical representation
pattern recognition
pairwise
image registration
hierarchical segmentation
feature space
support vector machine
energy function
dense correspondence