Realistic molecule optimization on a learned graph manifold.
Rémy BrossardOriel FrigoDavid DehaenePublished in: CoRR (2021)
Keyphrases
- optimization algorithm
- real life
- manifold learning
- graph model
- optimization problems
- graph laplacian
- directed acyclic graph
- weighted graph
- neighborhood graph
- global optimization
- graph representation
- graph structure
- connected components
- high dimensional
- graph theoretic
- graph construction
- graph theory
- graph based algorithm
- constrained optimization
- bayesian networks
- bipartite graph
- structured data
- low dimensional
- pairwise