MoCL: Data-driven Molecular Fingerprint via Knowledge-aware Contrastive Learning from Molecular Graph.
Mengying SunJing XingHuijun WangBin ChenJiayu ZhouPublished in: KDD (2021)
Keyphrases
- data driven
- learning systems
- knowledge acquisition
- prior knowledge
- knowledge base
- learning algorithm
- knowledge transfer
- domain knowledge
- knowledge level
- learned knowledge
- procedural knowledge
- learning tasks
- three dimensional
- expert systems
- knowledge based systems
- human experts
- graph matching
- graph theory
- background knowledge
- subject matter
- complex domains
- learning process
- directed acyclic graph
- effective learning
- organizational learning
- active learning
- concept maps
- directed graph
- knowledge sharing