Graph Classification on MolHIV
87.4ROC AUCOur Method
Evaluation Results
| Method | Links | |
|---|---|---|
| Our Method2026.03 | 87.4 | |
| FragNet2026.03 | 81.32 | |
| CIN2021.10 | 80.94 | |
| Cluster-GTruns=4, seeds=42024.10 | 80.93 | |
| Graphormer2026.03 | 80.51 | |
| CCINRuns=9, Seed=1-92026.05 | 80.45 | |
| Graph MLP-Mixerruns=4, seeds=42024.10 | 79.97 | |
| Graph-ViT-MLPMixer2026.03 | 79.97 | |
| tGNNedge features=none2022.05 | 79.9 | |
| DGN2021.10 | 79.7 | |
| DGNedge features=none2022.05 | 79.7 | |
| GNN-AK+backbone=GIN2021.10 | 79.61 | |
| GNN-AK+backbone=GCN2021.10 | 79.28 | |
| PHM-GNNedge features=none2022.05 | 79.1 | |
| PNA2021.10 | 79.05 | |
| PNA*2021.10 | 79.05 | |
| G3NRuns=9, Seed=1-92026.05 | 79 | |
| GIN + GRANOLABackbone=GIN, Normalization=GRANOLA, RNF-Adaptive=true2024.04 | 78.98 | |
| Trans. with X-LogSMaskvariant=ours2026.07 | 78.91 | |
| GIN2021.10 | 78.81 | |
| HIMP2021.10 | 78.8 | |
| GNN-AK+backbone=PNA*2021.10 | 78.8 | |
| GPSruns=4, seeds=42024.10 | 78.8 | |
| GraphGPS2026.07 | 78.8 | |
| HTMLRuns=9, Seed=1-92026.05 | 78.68 | |
| CWNRuns=9, Seed=1-92026.05 | 78.58 | |
| GraphSNNRuns=9, Seed=1-92026.05 | 78.51 | |
| WLHNRuns=9, Seed=1-92026.05 | 78.41 | |
| GNN-AKbackbone=GIN2021.10 | 78.29 | |
| GNN-AK+backbone=GCN, Sampling=SubgraphDrop2021.10 | 78.25 | |
| MSPNRuns=9, Seed=1-92026.05 | 78.25 | |
| GNN-AK+backbone=GIN, Sampling=SubgraphDrop2021.10 | 78.22 | |
| GNN-AK+backbone=PNA*, Sampling=SubgraphDrop2021.10 | 78.21 | |
| GIN + GraphNormBackbone=GIN, Normalization=GraphNorm2024.04 | 78.08 | |
| GSN2021.10 | 77.99 | |
| GSNRuns=9, Seed=1-92026.05 | 77.99 | |
| Graph ViTruns=4, seeds=42024.10 | 77.92 | |
| SAN2026.07 | 77.85 | |
| SAN+LapPEruns=4, seeds=42024.10 | 77.75 | |
| Trans. with X-LogSMasklayers=1-layer2026.07 | 77.68 | |
| DA-MoE2025.11 | 77.62 | |
| GIN + RNF-NORMBackbone=GIN, Normalization=RNF-NORM2024.04 | 77.61 | |
| SAGMM2025.11 | 77.48 | |
| GMoE-GCN2025.11 | 77.35 | |
| GIN + GRANOLA-NO-RNFBackbone=GIN, Normalization=GRANOLA, RNF-Adaptive=false2024.04 | 77.09 | |
| GINRuns=9, Seed=1-92026.05 | 77.07 | |
| GIN2026.07 | 77.07 | |
| BNPool2025.12 | 77 | |
| GIN + InstanceNormBackbone=GIN, Normalization=InstanceNorm2024.04 | 76.88 | |
| GIN + SuperNormBackbone=GIN, Normalization=SuperNorm2024.04 | 76.55 | |
| GIN + MeanSubtractionNormBackbone=GIN, Normalization=MeanSubtractionNorm2024.04 | 76.37 | |
| GraphTrans2026.07 | 76.33 | |
| GIN + PairNormBackbone=GIN, Normalization=PairNorm2024.04 | 76.18 | |
| GIN + LayerNorm-graphBackbone=GIN, Normalization=LayerNorm-graph2024.04 | 76.13 | |
| GCNedge features=none2022.05 | 76.1 | |
| GCN2025.11 | 76.06 | |
| ASAP2025.12 | 76 | |
| Top-k2025.12 | 76 | |
| k-MIS2025.12 | 76 | |
| HOSC2025.12 | 76 | |
| GCN2026.07 | 75.99 | |
| GIN + BatchNorm + RNF-PEBackbone=GIN, Normalization=BatchNorm, Positional Encoding=RNF-PE2024.04 | 75.98 | |
| HGCNRuns=9, Seed=1-92026.05 | 75.91 | |
| GINedge features=none2022.05 | 75.6 | |
| GIN + BatchNormBackbone=GIN, Normalization=BatchNorm2024.04 | 75.58 | |
| GraphSAGE2025.11 | 75.54 | |
| GIN + NodeNormBackbone=GIN, Normalization=NodeNorm2024.04 | 75.5 | |
| GIN + GraphSizeNormBackbone=GIN, Normalization=GraphSizeNorm2024.04 | 75.44 | |
| GIN2025.11 | 75.4 | |
| GIN + LayerNorm-nodeBackbone=GIN, Normalization=LayerNorm-node2024.04 | 75.24 | |
| ECPool2025.12 | 75 | |
| MinCut2025.12 | 75 | |
| ACC2025.12 | 75 | |
| NDP2025.12 | 75 | |
| DMoN2025.12 | 75 | |
| Graphormer2026.07 | 74.55 | |
| ALL-INTraining Scope=Trained on all datasets, Node Properties=Standard2026.05 | 74.49 | |
| GIN + DiffGroupNormBackbone=GIN, Normalization=DiffGroupNorm2024.04 | 74.37 | |
| GCN2021.10 | 74.22 | |
| GraClus2025.12 | 74 | |
| LaPool2025.12 | 74 | |
| Diffpool2025.12 | 74 | |
| ALL-IN-SPECIALIZEDTraining Scope=Trained per dataset, Node Properties=Standard2026.05 | 73.78 | |
| GAT2025.11 | 73.4 | |
| JBPool2025.12 | 73 | |
| ALL-INTraining Scope=Trained on all datasets, Node Properties=0 props2026.05 | 72.74 | |
| ALL-IN-SPECIALIZEDTraining Scope=Trained per dataset, Node Properties=0 props2026.05 | 72.65 | |
| HANreproduced=official implementation2026.03 | 72.3 | |
| SAG2025.12 | 72 | |
| GIN + IdentityBackbone=GIN, Normalization=None2024.04 | 71.89 | |
| PAN2025.12 | 71 | |
| ChebNetreproduced=official implementation2026.03 | 70.1 | |
| MaxCut2025.12 | 70 | |
| AIAType=Graph Augmentation2022.11 | 61.64 | |
| GREAType=Graph Augmentation2022.11 | 60.71 | |
| OOD-GNNType=Graph Generalization2022.11 | 60.6 | |
| FLAGType=Graph Augmentation2022.11 | 60.59 | |
| ERMType=General Generalization2022.11 | 59.94 | |
| CIGAType=Graph Generalization2022.11 | 59.55 | |
| G-MixupType=Graph Augmentation2022.11 | 59.34 |