Modeling Diverse Chemical Reactions for Single-step Retrosynthesis via Discrete Latent Variables.
Huarui HeJie WangYunfei LiuFeng WuPublished in: CoRR (2022)
Keyphrases
- latent variables
- single step
- chemical reactions
- probabilistic model
- random variables
- multi step
- prior knowledge
- chemical reaction
- posterior distribution
- gaussian process
- hierarchical model
- topic models
- latent variable models
- variational bayes
- structural svms
- real valued
- hidden variables
- structured prediction
- observed variables
- approximate inference
- max margin
- neural network
- natural language processing
- high dimensional