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Graph Regression on Peptides struct LRGB (test)

0.2421MAEGCN+
0.2417840.2439170.246050.248183May 25, 2022Jan 17, 2023Sep 12, 2023May 6, 2024Dec 30, 2024Aug 24, 2025Apr 19, 2026

Evaluation results

MethodLinks
GCN+Number of Parameters=~500K, Time (epoch)=6s, enhanced_version=true2025.020.2421—
IPR-MPNN2024.050.2422—
UniGCNParameter Budget=500,000, Architecture Category=Ours2024.100.2425—
Kiani et al.reproduction=original paper setup2024.030.2425—
GIN+Number of Parameters=~500K, enhanced_version=true2025.020.2429—
AMP2024.050.2431—
GatedGCN+Number of Parameters=~500K, enhanced_version=true2025.020.2431—
SigGate-GT2026.040.2431—
GUMPbase operator=GCN2024.030.2438—
S2GCNPositional Encoding=PE2024.050.2447—
Graph ViT2024.050.2449—
GRAPH VITParameter Budget=500,000, Architecture Category=Others2024.100.2449—
Graph ViT2024.050.2449—
Graph ViT/MLP-MixerNumber of Parameters=~500K, Year=20232025.020.2449—
Graph ViT2025.050.24495.5
Graph ViTreproduction=reproduced2024.030.2449—
MGTNumber of Parameters=~500K, Year=20232025.020.2453—
SDRFreproduction=reproduced2024.030.2453—
GPNNNumber of Parameters=~500K, Year=20242025.020.2454—
GRED+LapPEparameter budget=≈ 500K, positional encoding=Laplacian PE2023.120.2455—
GREDNumber of Parameters=~500K, Year=20242025.020.2455—
GatedGCNPositional Encoding=PE, Virtual Nodes=VNG2024.050.2458—
MP-SSM2025.050.24584
GSSCNumber of Parameters=~500K, Year=2024b2025.020.2459—
GRIT2024.010.246—
GCNparameter budget=≈ 500K, positional encoding=Tuned with PE (Tönshoff et al., 2023)2023.120.246—
GRITparameter budget=≈ 500K2023.120.246—
GRITParameters=~ 500K2024.040.246—
GRIT2024.050.246—
GCN2024.060.246—
GRIT2024.060.246—
GCNParameter Budget=500,000, Architecture Category=MP2024.100.246—
GRITParameter Budget=500,000, Architecture Category=Others2024.100.246—
Lie UniGCNParameter Budget=500,000, Architecture Category=Ours2024.100.246—
GCN2024.050.246—
GRIT2024.050.246—
GRIT2024.020.246—
GRITNumber of Parameters=~500K, Year=20232025.020.246—
GCNNumber of Parameters=~500K2025.020.246—
GCNParameter budget=500k2026.040.246—
GCNtuned=true2026.040.246—
GRIT2026.040.246—
GRIT2025.050.2465
GCN3-layer MLP readout=true, residual connections=true2025.050.2467.5
GCNreproduction=reproduced2024.030.246—
GRITreproduction=reproduced2024.030.246—
FoSRreproduction=reproduced2024.030.2461—
NeuralWalker2024.060.2463—
GECONumber of Parameters=~500K, Year=20242025.020.2464—
ProxyAdd+GCNreproduction=reproduced2024.030.2465—
S2GCN2024.050.2467—
NBA2024.050.2472—
GINEparameter budget=≈ 500K, positional encoding=Tuned with PE (Tönshoff et al., 2023)2023.120.2473—
GIN2024.060.2473—
GINEParameter Budget=500,000, Architecture Category=MP2024.100.2473—
GINE2024.050.2473—
GINNumber of Parameters=~500K2025.020.2473—
GINEParameter budget=500k2026.040.2473—
GINE3-layer MLP readout=true, residual connections=true2025.050.247312
GMN2025.050.24734.5
Graph-MLPMixerparameter budget=≈ 500K2023.120.2475—
Graph MLP-Mixer2024.050.2475—
SubgraphormerNumber of Parameters=~500K, Year=20242025.020.2475—
G-MLPMixerreproduction=reproduced2024.030.2475—
GatedGCNparameter budget=≈ 500K, positional encoding=Tuned with PE (Tönshoff et al., 2023)2023.120.2477—
CKGCNParameters=~ 500K2024.040.2477—
GatedGCN2024.060.2477—
GatedGCNParameter Budget=500,000, Architecture Category=MP2024.100.2477—
PR-MPNN2024.050.2477—
GatedGCNNumber of Parameters=~500K2025.020.2477—
GatedGCNParameter budget=500k2026.040.2477—
GatedGCN2026.040.2477—
GatedGCN3-layer MLP readout=true, residual connections=true2025.050.247711
Graph-MambaNumber of Parameters=~500K, Year=20242025.020.2478—
Graph-Mamba2025.050.247812.5
ExphormerBackbone=Exphormer2023.030.2481—
EXPHORMER2024.010.2481—
Exphormer2024.050.2481—
Exphormer2024.060.2481—
EXPHORMERParameter Budget=500,000, Architecture Category=Others2024.100.2481—
Exphormer2024.050.2481—
ExphormerParameter budget=500k2026.040.2481—
Exphormer2026.040.2481—
Exphormerreproduction=reproduced2024.030.2481—
TIGT2024.020.2485—
TIGTNumber of Parameters=~500K, Year=20242025.020.2485—
SWANstructural and positional encoding=true2025.050.248512.5
GCN# Params=508k, Virtual Node=true2023.010.2488—
GATParameter budget=500k2026.040.2488—
GPS2022.050.25—
GraphGPSBackbone=GraphGPS2023.030.25—
GPS2023.100.25—
GPS2024.010.25—
GPSparameter budget=≈ 500K2023.120.25—
GPSParameters=~ 500K2024.040.25—
GraphGPS2024.050.25—
GPSReference=[42]2024.060.25—
GPS2024.020.25—
GraphGPSNumber of Parameters=~500K, Year=20222025.020.25—
GraphGPS2026.040.25—