Automated Molecule Generation using Deep Q-Learning and Graph Neural Networks.
Riza IsikMehmet TanPublished in: BIBM (2021)
Keyphrases
- neural network
- reinforcement learning
- graph theory
- cooperative
- pattern recognition
- multi agent
- graph structure
- directed graph
- fuzzy logic
- semi automated
- graph theoretic
- back propagation
- graph representation
- connected components
- state space
- graph matching
- multilayer perceptron
- function approximation
- bipartite graph
- learning algorithm
- graph model
- weighted graph
- genetic algorithm
- neural nets
- structured data
- random walk
- feed forward
- spanning tree
- undirected graph
- graph partitioning
- knn