VGAE-MCTS: A New Molecular Generative Model Combining the Variational Graph Auto-Encoder and Monte Carlo Tree Search.
Hiroaki IwataTaichi NakaiTakuto KoyamaShigeyuki MatsumotoRyosuke KojimaYasushi OkunoPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- monte carlo tree search
- generative model
- monte carlo
- probabilistic model
- evaluation function
- dirichlet process mixture models
- bayesian framework
- prior knowledge
- em algorithm
- game tree
- markov chain monte carlo
- latent dirichlet allocation
- bit rate
- monte carlo search
- primal sketch
- temporal difference
- image segmentation
- semi supervised
- expectation maximization
- optical flow
- markov chain
- active learning
- feature vectors