Differentiable Scaffolding Tree for Molecular Optimization.
Tianfan FuWenhao GaoCao XiaoJacob YasonikConnor W. ColeyJimeng SunPublished in: CoRR (2021)
Keyphrases
- optimization algorithm
- global optimization
- optimization problems
- loss function
- tree structure
- objective function
- optimization process
- learning environment
- collaborative learning
- index structure
- tree search
- tree structures
- optimization method
- prior knowledge
- support vector
- data structure
- three dimensional
- mathematical programming
- optimization model
- database