Regression on FreeSolv (R^2)
0.705R^2GEDAN
Evaluation Results
| Method | Links | |
|---|---|---|
| GEDANDownstream model=MLP, Edit cost optimization=Learned2025.08 | 0.705 | |
| GEDANDownstream model=RF, Edit cost optimization=Learned2025.08 | 0.684 | |
| GEDANDownstream model=SVM, Edit cost optimization=Learned2025.08 | 0.682 | |
| GMSMDownstream model=MLP, Epsilon constraint=ϵ ≥ 02025.08 | 0.668 | |
| GMSMDownstream model=MLP, Epsilon constraint=ϵ = 02025.08 | 0.656 | |
| AVERAGEEdit cost optimization=Learned (GEDAN)2025.08 | 0.648 | |
| GMSMDownstream model=SVM, Epsilon constraint=ϵ ≥ 02025.08 | 0.641 | |
| GMSMDownstream model=KNN, Epsilon constraint=ϵ ≥ 02025.08 | 0.64 | |
| AVERAGEEpsilon constraint=ϵ ≥ 0 (GMSM)2025.08 | 0.636 | |
| AVERAGEEpsilon constraint=ϵ = 0 (GMSM)2025.08 | 0.626 | |
| GMSMDownstream model=SVM, Epsilon constraint=ϵ = 02025.08 | 0.625 | |
| GMSMDownstream model=KNN, Epsilon constraint=ϵ = 02025.08 | 0.621 | |
| GMSMDownstream model=RF, Epsilon constraint=ϵ ≥ 02025.08 | 0.603 | |
| GMSMDownstream model=RF, Epsilon constraint=ϵ = 02025.08 | 0.601 | |
| GEDANDownstream model=KNN, Edit cost optimization=Learned2025.08 | 0.521 | |
| GEDANDownstream model=MLP, Edit cost optimization=Grid search2025.08 | 0.32 | |
| GEDANDownstream model=RF, Edit cost optimization=Grid search2025.08 | 0.295 | |
| AVERAGEEdit cost optimization=Grid search (GEDAN)2025.08 | 0.286 | |
| GEDANDownstream model=SVM, Edit cost optimization=Grid search2025.08 | 0.281 | |
| GEDANDownstream model=KNN, Edit cost optimization=Grid search2025.08 | 0.247 |