Illuminating the property space in crystal structure prediction using Quality-Diversity algorithms.
Marta WolinskaAron WalshAntoine CullyPublished in: CoRR (2024)
Keyphrases
- prediction algorithm
- learning algorithm
- high quality
- computational complexity
- data structure
- prediction error
- classification algorithm
- benchmark datasets
- orders of magnitude
- genetic algorithm
- high dimensional spaces
- quality measures
- graph theory
- prediction accuracy
- data mining
- combinatorial optimization
- data quality
- computational cost
- multi objective
- significant improvement
- search space
- space requirements
- space filling curves