Graph Regression on ZINC Subset (test)
0.0613MAEGPS+GFSE
Evaluation Results
| Method | Links | |
|---|---|---|
| GPS+GFSEBackbone=GPS, Structural Encoding=GFSE2025.04 | 0.0613 | |
| GPS+GPSEBackbone=GPS, Structural Encoding=GPSE2025.04 | 0.0648 | |
| GPS+RWSEBackbone=GPS, Structural Encoding=RWSE2025.04 | 0.07 | |
| CIN++Time (s)=8.29, Params=501,9672023.06 | 0.077 | |
| Graphormer-GDTime (s)=12.52, Params=502,7932023.06 | 0.081 | |
| SUNTime (s)=15.04, Params=526,4892023.06 | 0.083 | |
| Graphormer + URPE-based Attention#Params=4917372022.05 | 0.086 | |
| URPETime (s)=12.4, Params=491,7372023.06 | 0.086 | |
| GNN-AK+Params=~500k2023.06 | 0.091 | |
| CIN-SmallParams=~100k2023.06 | 0.094 | |
| DSS-GNNParams=445,7092023.06 | 0.097 | |
| GSNParams=~500k2023.06 | 0.101 | |
| GNN-AKParams=~500k2023.06 | 0.105 | |
| GPS+LapPEBackbone=GPS, Structural Encoding=LapPE2025.04 | 0.1078 | |
| NGNNParams=~500k2023.06 | 0.111 | |
| GPSBackbone=GPS, Structural Encoding=None2025.04 | 0.1182 | |
| GCN+GPSEBackbone=GCN, Structural Encoding=GPSE2025.04 | 0.1218 | |
| Graphormer#Params=4893212022.05 | 0.122 | |
| GraphormerTime (s)=12.26, Params=489,3212023.06 | 0.122 | |
| GCN+GFSEBackbone=GCN, Structural Encoding=GFSE2025.04 | 0.1237 | |
| SAN#Params=5085772022.05 | 0.139 | |
| SANParams=508,5772023.06 | 0.139 | |
| PNA#Params=3871552022.05 | 0.142 | |
| PNAParams=387,1552023.06 | 0.142 | |
| MPNN(sum)#Params=4808052022.05 | 0.145 | |
| MPNN(sum)Params=480,8052023.06 | 0.145 | |
| HIMP#Params=6145162022.05 | 0.151 | |
| TF+GFSEBackbone=Transformer, Structural Encoding=GFSE2025.04 | 0.1548 | |
| GIN+GFSEBackbone=GIN, Structural Encoding=GFSE2025.04 | 0.1689 | |
| GIN+RWSEBackbone=GIN, Structural Encoding=RWSE2025.04 | 0.1731 | |
| GCN+RWSEBackbone=GCN, Structural Encoding=RWSE2025.04 | 0.1741 | |
| TF+GPSEBackbone=Transformer, Structural Encoding=GPSE2025.04 | 0.1883 | |
| GCN+LapPEBackbone=GCN, Structural Encoding=LapPE2025.04 | 0.2052 | |
| GatedGCN-PE#Params=5050112022.05 | 0.214 | |
| GatedGCN-PETime (s)=10.74, Params=505,0112023.06 | 0.214 | |
| GIN+GPSEBackbone=GIN, Structural Encoding=GPSE2025.04 | 0.2162 | |
| TF+RWSEBackbone=Transformer, Structural Encoding=RWSE2025.04 | 0.2193 | |
| GIN+LapPEBackbone=GIN, Structural Encoding=LapPE2025.04 | 0.2203 | |
| GT#Params=5889292022.05 | 0.226 | |
| GTParams=588,9292023.06 | 0.226 | |
| MoNet#Params=5040132022.05 | 0.292 | |
| MoNetTime (s)=7.19, Params=504,0132023.06 | 0.292 | |
| 3WLGNNTime (s)=179.35, Params=507,6032023.06 | 0.303 | |
| RingGNNTime (s)=178.03, Params=527,2832023.06 | 0.353 | |
| GCN#Params=5050792022.05 | 0.367 | |
| GCNTime (s)=5.85, Params=505,0792023.06 | 0.367 | |
| GCNBackbone=GCN, Structural Encoding=None2025.04 | 0.367 | |
| GAT#Params=5313452022.05 | 0.384 | |
| GATTime (s)=8.28, Params=531,3452023.06 | 0.384 | |
| GraphSAGE#Params=5053412022.05 | 0.398 | |
| GraphSAGETime (s)=6.02, Params=505,3412023.06 | 0.398 | |
| TF+LapPEBackbone=Transformer, Structural Encoding=LapPE2025.04 | 0.5101 | |
| GIN#Params=5095492022.05 | 0.526 | |
| GINTime (s)=8.05, Params=509,5492023.06 | 0.526 | |
| GINBackbone=GIN, Structural Encoding=None2025.04 | 0.526 | |
| TransformerBackbone=Transformer, Structural Encoding=None2025.04 | 0.6943 |