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ResearchFormerly WizWand

Graph Regression on ZINC Subset (test)

0.0613MAEGPS+GFSE
0.035980.206890.37780.54871May 26, 2022Nov 17, 2022May 12, 2023Nov 4, 2023Apr 28, 2024Oct 21, 2024Apr 15, 2025
Updated 8mo ago

Evaluation results

MethodLinks
GPS+GFSEBackbone=GPS, Structural Encoding=GFSE2025.040.0613
GPS+GPSEBackbone=GPS, Structural Encoding=GPSE2025.040.0648
GPS+RWSEBackbone=GPS, Structural Encoding=RWSE2025.040.07
CIN++Time (s)=8.29, Params=501,9672023.060.077
Graphormer-GDTime (s)=12.52, Params=502,7932023.060.081
SUNTime (s)=15.04, Params=526,4892023.060.083
Graphormer + URPE-based Attention#Params=4917372022.050.086
URPETime (s)=12.4, Params=491,7372023.060.086
GNN-AK+Params=~500k2023.060.091
CIN-SmallParams=~100k2023.060.094
DSS-GNNParams=445,7092023.060.097
GSNParams=~500k2023.060.101
GNN-AKParams=~500k2023.060.105
GPS+LapPEBackbone=GPS, Structural Encoding=LapPE2025.040.1078
NGNNParams=~500k2023.060.111
GPSBackbone=GPS, Structural Encoding=None2025.040.1182
GCN+GPSEBackbone=GCN, Structural Encoding=GPSE2025.040.1218
Graphormer#Params=4893212022.050.122
GraphormerTime (s)=12.26, Params=489,3212023.060.122
GCN+GFSEBackbone=GCN, Structural Encoding=GFSE2025.040.1237
SAN#Params=5085772022.050.139
SANParams=508,5772023.060.139
PNA#Params=3871552022.050.142
PNAParams=387,1552023.060.142
MPNN(sum)#Params=4808052022.050.145
MPNN(sum)Params=480,8052023.060.145
HIMP#Params=6145162022.050.151
TF+GFSEBackbone=Transformer, Structural Encoding=GFSE2025.040.1548
GIN+GFSEBackbone=GIN, Structural Encoding=GFSE2025.040.1689
GIN+RWSEBackbone=GIN, Structural Encoding=RWSE2025.040.1731
GCN+RWSEBackbone=GCN, Structural Encoding=RWSE2025.040.1741
TF+GPSEBackbone=Transformer, Structural Encoding=GPSE2025.040.1883
GCN+LapPEBackbone=GCN, Structural Encoding=LapPE2025.040.2052
GatedGCN-PE#Params=5050112022.050.214
GatedGCN-PETime (s)=10.74, Params=505,0112023.060.214
GIN+GPSEBackbone=GIN, Structural Encoding=GPSE2025.040.2162
TF+RWSEBackbone=Transformer, Structural Encoding=RWSE2025.040.2193
GIN+LapPEBackbone=GIN, Structural Encoding=LapPE2025.040.2203
GT#Params=5889292022.050.226
GTParams=588,9292023.060.226
MoNet#Params=5040132022.050.292
MoNetTime (s)=7.19, Params=504,0132023.060.292
3WLGNNTime (s)=179.35, Params=507,6032023.060.303
RingGNNTime (s)=178.03, Params=527,2832023.060.353
GCN#Params=5050792022.050.367
GCNTime (s)=5.85, Params=505,0792023.060.367
GCNBackbone=GCN, Structural Encoding=None2025.040.367
GAT#Params=5313452022.050.384
GATTime (s)=8.28, Params=531,3452023.060.384
GraphSAGE#Params=5053412022.050.398
GraphSAGETime (s)=6.02, Params=505,3412023.060.398
TF+LapPEBackbone=Transformer, Structural Encoding=LapPE2025.040.5101
GIN#Params=5095492022.050.526
GINTime (s)=8.05, Params=509,5492023.060.526
GINBackbone=GIN, Structural Encoding=None2025.040.526
TransformerBackbone=Transformer, Structural Encoding=None2025.040.6943