Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning.
Jike WangChang-Yu HsiehMingyang WangXiaorui WangZhenxing WuDejun JiangBenben LiaoXujun ZhangBo YangQiaojun HeDongsheng CaoXi ChenTingjun HouPublished in: Nat. Mach. Intell. (2021)
Keyphrases
- reinforcement learning
- knowledge acquisition
- knowledge base
- prior knowledge
- knowledge discovery
- knowledge management
- knowledge based systems
- three dimensional
- knowledge transfer
- data sets
- state space
- linear constraints
- transfer learning
- learning systems
- optimal policy
- knowledge representation
- multiscale
- machine learning