Graph Property Prediction on ToxCast
0.7095ROC-AUCS-CGIB
Evaluation results
| Method | Links | |
|---|---|---|
| S-CGIBDomain Adaptation=true2024.12 | 0.7095 | |
| GraphFP2024.12 | 0.6915 | |
| S-CGIBDomain Adaptation=false2024.12 | 0.6893 | |
| LEAPPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.12 | 0.6846 | |
| GPF-plusPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.12 | 0.6831 | |
| LR-GMPBackbone=GIN, Pre-training Method=EdgePred2026.04 | 0.6828 | |
| VGPBackbone=GIN, Pre-training Method=EdgePred2026.04 | 0.6825 | |
| GPFPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.12 | 0.6819 | |
| SUPThardPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.12 | 0.6812 | |
| MoAMa2024.12 | 0.6801 | |
| SUPTsoftPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.12 | 0.68 | |
| LEAPPre-training Strategy=Infomax, Shot Scenario=full-shot2025.12 | 0.6799 | |
| RELIEFPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.12 | 0.6796 | |
| LEAPPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.12 | 0.6783 | |
| GPF-plusPre-training Strategy=Infomax, Shot Scenario=full-shot2025.12 | 0.678 | |
| GPFPre-training Strategy=Infomax, Shot Scenario=full-shot2025.12 | 0.6762 | |
| SUPThardPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.12 | 0.6759 | |
| SUPTsoftPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.12 | 0.6754 | |
| GPF-plusPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.12 | 0.6752 | |
| SUPThardPre-training Strategy=Infomax, Shot Scenario=full-shot2025.12 | 0.6751 | |
| FTPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.12 | 0.675 | |
| RELIEFPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.12 | 0.6747 | |
| SUPTsoftPre-training Strategy=Infomax, Shot Scenario=full-shot2025.12 | 0.6732 | |
| RELIEFPre-training Strategy=Infomax, Shot Scenario=full-shot2025.12 | 0.673 | |
| GPFPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.12 | 0.673 | |
| FTPre-training Strategy=Infomax, Shot Scenario=full-shot2025.12 | 0.6703 | |
| FTPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.12 | 0.6692 | |
| FTBackbone=GIN, Pre-training Method=EdgePred2026.04 | 0.6629 | |
| GPF-plusBackbone=GIN, Pre-training Method=EdgePred2026.04 | 0.6594 | |
| SimSGT2024.12 | 0.6583 | |
| GPFBackbone=GIN, Pre-training Method=EdgePred2026.04 | 0.6565 | |
| LEAPPre-training Strategy=GCL, Shot Scenario=full-shot2025.12 | 0.6492 | |
| GPPT w/o olBackbone=GIN, Pre-training Method=EdgePred2026.04 | 0.6486 | |
| SUPTsoftPre-training Strategy=GCL, Shot Scenario=full-shot2025.12 | 0.6483 | |
| FTPre-training Strategy=GCL, Shot Scenario=full-shot2025.12 | 0.648 | |
| GPF-plusPre-training Strategy=GCL, Shot Scenario=full-shot2025.12 | 0.6473 | |
| RELIEFPre-training Strategy=GCL, Shot Scenario=full-shot2025.12 | 0.6473 | |
| GPFPre-training Strategy=GCL, Shot Scenario=full-shot2025.12 | 0.6471 | |
| SUPThardPre-training Strategy=GCL, Shot Scenario=full-shot2025.12 | 0.6469 | |
| GROVE2024.12 | 0.6445 | |
| SpecMatch-CLPre-Train dataset=ZINC 2M2025.11 | 0.6422 | |
| AttrMaskingPre-Train Dataset=ZINC 2M2021.06 | 0.642 | |
| EdgePredPre-Train Dataset=ZINC 2M2021.06 | 0.641 | |
| EdgePredPre-Train dataset=ZINC 2M2025.11 | 0.641 | |
| ContextPredPre-Train Dataset=ZINC 2M2021.06 | 0.639 | |
| MGSSL2024.12 | 0.6386 | |
| No Pre-TrainPre-Train Dataset=None2021.06 | 0.634 | |
| SimGRACEPre-Train dataset=ZINC 2M2025.11 | 0.634 | |
| JOAO2024.12 | 0.633 | |
| AttrMaskingPre-Train dataset=ZINC 2M2025.11 | 0.633 | |
| ContextPred2024.12 | 0.6328 | |
| JOAOv22024.12 | 0.6312 | |
| AD-GCL-FIXPre-Train Dataset=ZINC 2M2021.06 | 0.6307 | |
| GraphCLPre-Train dataset=ZINC 2M2025.11 | 0.63 | |
| JOAOPre-Train dataset=ZINC 2M2025.11 | 0.628 | |
| Infomax2024.12 | 0.6276 | |
| GraphCL2024.12 | 0.6276 | |
| InfoGraphPre-Train Dataset=ZINC 2M2021.06 | 0.627 | |
| ContextPredPre-Train dataset=ZINC 2M2025.11 | 0.626 | |
| GraphCLPre-Train Dataset=ZINC 2M2021.06 | 0.624 | |
| No Pre-TrainPre-Train dataset=None2025.11 | 0.617 | |
| AttrMasking2024.12 | 0.6166 | |
| GraphLoG2024.12 | 0.6153 | |
| MICRO-Graph2024.12 | 0.608 | |
| GraphPromptBackbone=GIN, Pre-training Method=EdgePred2026.04 | 0.6054 | |
| GPPTBackbone=GIN, Pre-training Method=EdgePred2026.04 | 0.6034 | |
| EdgePred2024.12 | 0.6004 | |
| LEAPPre-training Strategy=Infomax, Shot Scenario=50-shot2025.12 | 0.5879 | |
| SUPTsoftPre-training Strategy=Infomax, Shot Scenario=50-shot2025.12 | 0.5873 | |
| RELIEFPre-training Strategy=Infomax, Shot Scenario=50-shot2025.12 | 0.587 | |
| SUPThardPre-training Strategy=Infomax, Shot Scenario=50-shot2025.12 | 0.586 | |
| GPF-plusPre-training Strategy=Infomax, Shot Scenario=50-shot2025.12 | 0.5855 | |
| LEAPPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.12 | 0.5853 | |
| GPFPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.12 | 0.5848 | |
| RELIEFPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.12 | 0.5843 | |
| LEAPPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.12 | 0.5843 | |
| GPFPre-training Strategy=Infomax, Shot Scenario=50-shot2025.12 | 0.5838 | |
| GPF-plusPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.12 | 0.5834 | |
| RELIEFPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.12 | 0.5832 | |
| SUPTsoftPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.12 | 0.5824 | |
| GPF-plusPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.12 | 0.5821 | |
| SUPThardPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.12 | 0.5819 | |
| GPFPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.12 | 0.5815 | |
| SUPThardPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.12 | 0.5815 | |
| FTPre-training Strategy=Infomax, Shot Scenario=50-shot2025.12 | 0.5804 | |
| SUPTsoftPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.12 | 0.5791 | |
| FTPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.12 | 0.579 | |
| FTPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.12 | 0.575 | |
| LEAPPre-training Strategy=GCL, Shot Scenario=50-shot2025.12 | 0.5489 | |
| RELIEFPre-training Strategy=GCL, Shot Scenario=50-shot2025.12 | 0.5473 | |
| GPF-plusPre-training Strategy=GCL, Shot Scenario=50-shot2025.12 | 0.5455 | |
| SUPTsoftPre-training Strategy=GCL, Shot Scenario=50-shot2025.12 | 0.545 | |
| GPFPre-training Strategy=GCL, Shot Scenario=50-shot2025.12 | 0.544 | |
| SUPThardPre-training Strategy=GCL, Shot Scenario=50-shot2025.12 | 0.5423 | |
| FTPre-training Strategy=GCL, Shot Scenario=50-shot2025.12 | 0.5404 |