Deeply learning molecular structure-property relationships using graph attention neural network.
Seongok RyuJaechang LimWoo Youn KimPublished in: CoRR (2018)
Keyphrases
- neural network
- learning algorithm
- learning systems
- molecular structure
- learning process
- graph theoretic
- active learning
- learning tasks
- genetic algorithm
- inductive inference
- pattern recognition
- reinforcement learning
- random walk
- unsupervised learning
- knowledge acquisition
- supervised learning
- incremental learning
- training process
- graph databases
- prior knowledge