Graph-level prediction on OGBG-MOLPCBA (test)
29.39APGPS+LapPE
Evaluation Results
| Method | Links | |
|---|---|---|
| GPS+LapPEBackbone=GPS, Structural Encoding=LapPE2025.04 | 29.39 | |
| GINE++VNNo. params=6,147,0292021.03 | 29.17 | |
| GPS+GFSEBackbone=GPS, Structural Encoding=GFSE2025.04 | 29.16 | |
| GPS+GPSEBackbone=GPS, Structural Encoding=GPSE2025.04 | 29.11 | |
| GPS+RWSEBackbone=GPS, Structural Encoding=RWSE2025.04 | 29.07 | |
| RAN-GIN+VN+FLAGNo. params=5,572,0262021.03 | 28.79 | |
| GPSBackbone=GPS, Structural Encoding=None2025.04 | 28.69 | |
| DeeperGCN+VN+FLAGNo. params=5,550,2082021.03 | 28.42 | |
| GIN+GFSEBackbone=GIN, Structural Encoding=GFSE2025.04 | 28.39 | |
| GIN+VN+FLAGNo. params=3,374,5332021.03 | 28.34 | |
| PNAPositional Encoding=MAP, k=16, Number of Parameters=4612K2023.10 | 28.1 | |
| PNAPositional Encoding=None, k=0, Number of Parameters=6551K2023.10 | 27.9 | |
| GIN+RWSEBackbone=GIN, Structural Encoding=RWSE2025.04 | 27.81 | |
| GIN+GPSEBackbone=GIN, Structural Encoding=GPSE2025.04 | 27.65 | |
| GINBackbone=GIN, Structural Encoding=None2025.04 | 27.03 | |
| GIN+LapPEBackbone=GIN, Structural Encoding=LapPE2025.04 | 27.01 | |
| GatedGCNPositional Encoding=MAP, k=3, Number of Parameters=2658K2023.10 | 26.8 | |
| GatedGCNPositional Encoding=LapPE + RS, k=3, Number of Parameters=1009K2023.10 | 26.6 | |
| GatedGCNPositional Encoding=None, k=0, Number of Parameters=1008K2023.10 | 26.2 | |
| RAN-GINNo. params=1,868,7742021.03 | 24.93 | |
| GCN+GFSEBackbone=GCN, Structural Encoding=GFSE2025.04 | 24.77 | |
| GCN+RWSEBackbone=GCN, Structural Encoding=RWSE2025.04 | 24.38 | |
| GCNBackbone=GCN, Structural Encoding=None2025.04 | 24.24 | |
| GCN+LapPEBackbone=GCN, Structural Encoding=LapPE2025.04 | 24.17 | |
| GCN+VN+FLAGNo. params=2,017,0282021.03 | 23.84 | |
| TF+GFSEBackbone=Transformer, Structural Encoding=GFSE2025.04 | 23.76 | |
| ChebNetNo. params=1,475,0032021.03 | 23.06 | |
| GINNo. params=1,923,4332021.03 | 22.66 | |
| TF+RWSEBackbone=Transformer, Structural Encoding=RWSE2025.04 | 20.83 | |
| SIGNNo. params=5,516,2282021.03 | 20.47 | |
| TF+GPSEBackbone=Transformer, Structural Encoding=GPSE2025.04 | 20.4 | |
| GCNNo. params=565,9282021.03 | 20.2 | |
| GCN+GPSEBackbone=GCN, Structural Encoding=GPSE2025.04 | 19.58 | |
| TF+LapPEBackbone=Transformer, Structural Encoding=LapPE2025.04 | 17.84 | |
| TransformerBackbone=Transformer, Structural Encoding=None2025.04 | 8.08 |