Multi-Objective Quality-Diversity for Crystal Structure Prediction.
Hannah JanmohamedMarta WolinskaShikha SuranaThomas PierrotAron WalshAntoine CullyPublished in: CoRR (2024)
Keyphrases
- multi objective
- optimization algorithm
- evolutionary algorithm
- high quality
- quality prediction
- bi objective
- multi objective optimization
- data sets
- prediction accuracy
- hierarchical structure
- prediction model
- objective function
- graph structure
- quality assessment
- complex structures
- pareto optimal
- quality metrics
- bayesian networks
- evolutionary optimization