Molecular contrastive learning of representations via graph neural networks.
Yuyang WangJianren WangZhonglin CaoAmir Barati FarimaniPublished in: Nat. Mach. Intell. (2022)
Keyphrases
- neural network
- neural nets
- learning process
- supervised learning
- learning algorithm
- learning tasks
- learning systems
- genetic algorithm
- learning problems
- knowledge acquisition
- online learning
- active learning
- prior knowledge
- artificial neural networks
- fuzzy logic
- unsupervised learning
- back propagation
- incremental learning
- pattern recognition
- graph model
- multiple representations