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Regression on FreeSolv (R^2)

0.705R^2GEDAN
0.228680.352340.4760.59966Aug 5, 2025

Evaluation results

MethodLinks
GEDANDownstream model=MLP, Edit cost optimization=Learned2025.080.705
GEDANDownstream model=RF, Edit cost optimization=Learned2025.080.684
GEDANDownstream model=SVM, Edit cost optimization=Learned2025.080.682
GMSMDownstream model=MLP, Epsilon constraint=ϵ ≥ 02025.080.668
GMSMDownstream model=MLP, Epsilon constraint=ϵ = 02025.080.656
AVERAGEEdit cost optimization=Learned (GEDAN)2025.080.648
GMSMDownstream model=SVM, Epsilon constraint=ϵ ≥ 02025.080.641
GMSMDownstream model=KNN, Epsilon constraint=ϵ ≥ 02025.080.64
AVERAGEEpsilon constraint=ϵ ≥ 0 (GMSM)2025.080.636
AVERAGEEpsilon constraint=ϵ = 0 (GMSM)2025.080.626
GMSMDownstream model=SVM, Epsilon constraint=ϵ = 02025.080.625
GMSMDownstream model=KNN, Epsilon constraint=ϵ = 02025.080.621
GMSMDownstream model=RF, Epsilon constraint=ϵ ≥ 02025.080.603
GMSMDownstream model=RF, Epsilon constraint=ϵ = 02025.080.601
GEDANDownstream model=KNN, Edit cost optimization=Learned2025.080.521
GEDANDownstream model=MLP, Edit cost optimization=Grid search2025.080.32
GEDANDownstream model=RF, Edit cost optimization=Grid search2025.080.295
AVERAGEEdit cost optimization=Grid search (GEDAN)2025.080.286
GEDANDownstream model=SVM, Edit cost optimization=Grid search2025.080.281
GEDANDownstream model=KNN, Edit cost optimization=Grid search2025.080.247