Self-Supervised Contrastive Molecular Representation Learning with a Chemical Synthesis Knowledge Graph.
Jiancong XieYi WangJiahua RaoShuangjia ZhengYuedong YangPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- learning systems
- prior knowledge
- knowledge acquisition
- expert systems
- learning process
- knowledge level
- procedural knowledge
- domain knowledge
- solving problems
- reinforcement learning
- acquire knowledge
- formal representation
- graph representation
- learning tasks
- supervised learning
- knowledge representation
- knowledge base
- learning algorithm
- background knowledge
- human experts
- directed acyclic graph
- graph model
- probabilistic model
- subject matter
- machine learning