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Global Human-guided Counterfactual Explanations for Molecular Properties via Reinforcement Learning.
Danqing Wang
Antonis Antoniades
Kha-Dinh Luong
Edwin Zhang
Mert Kosan
Jiachen Li
Ambuj K. Singh
William Yang Wang
Lei Li
Published in:
CoRR (2024)
Keyphrases
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reinforcement learning
machine learning
markov decision processes
global information
artificial intelligence
three dimensional
multi agent
learning process
structural properties
function approximation
human interaction
neural network
state space
transfer learning
human experts
molecular dynamics