Modeling Diverse Chemical Reactions for Single-step Retrosynthesis via Discrete Latent Variables.
Huarui HeJie WangYunfei LiuFeng WuPublished in: CIKM (2022)
Keyphrases
- latent variables
- single step
- probabilistic model
- chemical reactions
- hierarchical model
- posterior distribution
- prior knowledge
- random variables
- latent variable models
- multi step
- variational bayes
- real valued
- gaussian process
- chemical reaction
- topic models
- observed variables
- max margin
- approximate inference
- structural svms
- data sets
- latent space
- hidden variables
- data analysis
- machine learning