Reinforcement learning for in silico determination of adsorbate - substrate structures.
Maicon Pierre LourençoJirí HostasColin BellingerAlain TchagangDennis R. SalahubPublished in: J. Comput. Chem. (2024)
Keyphrases
- reinforcement learning
- state space
- function approximation
- learning algorithm
- information retrieval
- neural network
- machine learning
- markov decision processes
- biological data
- robotic control
- temporal difference learning
- reinforcement learning algorithms
- structural features
- computer simulation
- supervised learning
- knowledge discovery
- data sources