Material Property Optimization (Band Gap) on MP-20
0.63Band GapDiffCSP
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| DiffCSPRelaxation method=M3GNet, Stability criterion=strictly stable2026.03 | 0.63 | 19.2 | 18.6 | 0.55 | |
| MatterGenRelaxation method=M3GNet, Stability criterion=strictly stable2026.03 | 0.57 | 18.5 | 17.6 | 0.4 | |
| CrystalFormerRelaxation method=M3GNet, Stability criterion=strictly stable2026.03 | 0.52 | 14.1 | 12.8 | 0.37 | |
| DiffCSP++Relaxation method=M3GNet, Stability criterion=strictly stable2026.03 | 0.48 | 19.8 | 18.5 | 0.23 | |
| CliqueFlowmer-TopSelection strategy=Top-k MBO, Relaxation method=M3GNet, Stability criterion=strictly stable2026.03 | 0.07 | 69.4 | 69.4 | 0.05 | |
| CliqueFlowmerRelaxation method=M3GNet, Stability criterion=strictly stable2026.03 | 0.03 | 61.3 | 61.3 | 0.02 |