MGCVAE: Multi-objective Inverse Design via Molecular Graph Conditional Variational Autoencoder.
Myeonghun LeeKyoungmin MinPublished in: CoRR (2022)
Keyphrases
- multi objective
- design process
- optimization algorithm
- optimum design
- graph theoretic
- multi objective optimization
- neural network
- probabilistic model
- random walk
- structured data
- engineering design
- graph structure
- weighted graph
- case study
- user interface
- objective function
- three dimensional
- bipartite graph
- image segmentation
- graph model
- genetic algorithm