Graph Regression on Peptides-struct
0.239MAEESA+
Evaluation Results
| Method | Links | |
|---|---|---|
| ESA+tuned=true, structural encoding=RWSE2024.02 | 0.239 | |
| MAVNBackbone=GatedGCN2026.06 | 0.241 | |
| GCN+Model Category=Modified and Re-evaluated, Structural and Positional Encoding=true2026.05 | 0.2421 | |
| IPR-MPNN2026.06 | 0.2422 | |
| NBA2026.06 | 0.2424 | |
| UniGCN2026.06 | 0.2425 | |
| GIN+Model Category=Modified and Re-evaluated, Structural and Positional Encoding=true2026.05 | 0.2429 | |
| S3GNNModel Type=GNN2026.05 | 0.2429 | |
| GatedGCN+Model Category=Modified and Re-evaluated, Structural and Positional Encoding=true2026.05 | 0.2431 | |
| MAVNBackbone=GCN2026.06 | 0.2432 | |
| GEAET2026.06 | 0.2445 | |
| AMP2026.06 | 0.2446 | |
| S2GNN + PEModel Type=GNN2026.05 | 0.2447 | |
| S2GCN2026.06 | 0.2447 | |
| GINE-ViT# Params=561k, Time (S/Epoch)=8.77, Memory (MB)=9022022.12 | 0.2449 | |
| Graph ViTModel Type=Transformer2026.05 | 0.2449 | |
| Graph ViT2026.06 | 0.2449 | |
| MAVNBackbone=GINE2026.06 | 0.2453 | |
| GraphTrans-ViT# Params=757k, Time (S/Epoch)=9.58, Memory (MB)=9812022.12 | 0.2455 | |
| GCN+FNModel Type=VN2026.05 | 0.2456 | |
| MP-SSMModel Type=State Space2026.05 | 0.2458 | |
| MPNN+VNG2026.06 | 0.2458 | |
| GRAMAGATEDGCNModel Category=GNNs, Structural and Positional Encoding=true2026.05 | 0.2459 | |
| GCNModel Category=Modified and Re-evaluated, Structural and Positional Encoding=true2026.05 | 0.246 | |
| GRITModel Type=Transformer2026.05 | 0.246 | |
| GatedGCN+VN†Model Type=VN2026.05 | 0.246 | |
| GCNModel Type=GNN2026.05 | 0.246 | |
| GRIT2026.06 | 0.246 | |
| GCN*2026.06 | 0.246 | |
| Graph-ViT + GFSAGFSA=true2023.12 | 0.2461 | |
| Neural WalkerModel Category=GNNs, Structural and Positional Encoding=true2026.05 | 0.2463 | |
| GatedGCN-ViT# Params=692k, Time (S/Epoch)=9.00, Memory (MB)=8332022.12 | 0.2465 | |
| GCN-ViT# Params=493k, Time (S/Epoch)=8.55, Memory (MB)=6092022.12 | 0.2468 | |
| LGSMModel Category=Ours, Structural and Positional Encoding=false2026.05 | 0.247 | |
| GatedGCN+FNModel Type=VN2026.05 | 0.247 | |
| GINEModel Category=Modified and Re-evaluated, Structural and Positional Encoding=true2026.05 | 0.2473 | |
| GMNModel Category=GNNs, Structural and Positional Encoding=true2026.05 | 0.2473 | |
| GMNModel Type=State Space2026.05 | 0.2473 | |
| GINE*2026.06 | 0.2473 | |
| Graph-ViTGFSA=false2023.12 | 0.2474 | |
| G.MLPMixerModel Type=Transformer2026.05 | 0.2475 | |
| MPNN+VN2026.06 | 0.2475 | |
| GatedGCNModel Category=Modified and Re-evaluated, Structural and Positional Encoding=true2026.05 | 0.2477 | |
| PR-MPNN2026.06 | 0.2477 | |
| GatedGCN*2026.06 | 0.2477 | |
| Graph-MambaModel Class=SSM2026.01 | 0.2478 | |
| Graph-MambaModel Category=GNNs, Structural and Positional Encoding=true2026.05 | 0.2478 | |
| Graph MambaModel Type=State Space2026.05 | 0.2478 | |
| GraphTrans-MLP-Mixer# Params=593k, Time (S/Epoch)=9.00, Memory (MB)=1,0482022.12 | 0.248 | |
| ExphormerModel Type=Transformer2026.05 | 0.2481 | |
| Exphormer2026.06 | 0.2481 | |
| SWANModel Category=GNNs, Structural and Positional Encoding=true2026.05 | 0.2485 | |
| TIGTModel Type=Transformer2026.05 | 0.2485 | |
| SWANModel Type=GNN2026.05 | 0.2485 | |
| GCN-MLP-Mixer# Params=329k, Time (S/Epoch)=8.12, Memory (MB)=6792022.12 | 0.2486 | |
| S2GNNModel Type=GNN2026.05 | 0.2487 | |
| GINE-MLP-Mixer# Params=397k, Time (S/Epoch)=8.51, Memory (MB)=9742022.12 | 0.2494 | |
| GPS + GFSAGFSA=true2023.12 | 0.2496 | |
| SUN# Params=508k, Time (S/Epoch)=384.26, Memory (MB)=17,2152022.12 | 0.2498 | |
| GatedGCN+VN‡Model Type=VN2026.05 | 0.2498 | |
| GPSGFSA=false2023.12 | 0.25 | |
| GPSModel Class=GT2026.01 | 0.25 | |
| StandardAttention=Standard2026.03 | 0.25 | |
| GraphGPS+LapPEModel Category=Transformers, Structural and Positional Encoding=true2026.05 | 0.25 | |
| MeGraph2026.06 | 0.2507 | |
| GatedGCN-MLP-Mixer# Params=527k, Time (S/Epoch)=8.44, Memory (MB)=8872022.12 | 0.2508 | |
| GraphGPS+LapPEModel Category=Modified and Re-evaluated, Structural and Positional Encoding=true2026.05 | 0.2509 | |
| GCN+VNModel Type=VN2026.05 | 0.2509 | |
| GraphGPS*2026.06 | 0.2509 | |
| QUESTAttention=QUEST2026.03 | 0.251 | |
| ExphormerModel Class=GT2026.01 | 0.2512 | |
| GPS# Params=504k, Time (S/Epoch)=11.74, Memory (MB)=6,8782022.12 | 0.2515 | |
| DRew-GCN+LapPEModel Category=Modified and Re-evaluated, Structural and Positional Encoding=true2026.05 | 0.2517 | |
| Transformer + LapPE# Params=488k, Time (S/Epoch)=9.61, Memory (MB)=6,6462022.12 | 0.2529 | |
| Transformer + LapPE2026.04 | 0.2529 | |
| Transformer+LapPEModel Category=Transformers, Structural and Positional Encoding=true2026.05 | 0.2529 | |
| DRew-GCN+LapPEModel Category=Multi-hop GNNs, Structural and Positional Encoding=true2026.05 | 0.2536 | |
| DRew-GCN + PEModel Type=Rewiring2026.05 | 0.2536 | |
| DRew2026.06 | 0.2536 | |
| DRew-GatedGCN+LapPEModel Category=Multi-hop GNNs, Structural and Positional Encoding=true2026.05 | 0.2539 | |
| PathNN-SP+K=42023.06 | 0.254 | |
| Stable-ChebNetModel Type=GNN2026.05 | 0.2542 | |
| SAN + RWSE# Params=500k, Time (S/Epoch)=70.39, Memory (MB)=12,1112022.12 | 0.2545 | |
| PathNN-SPK=42023.06 | 0.2545 | |
| SAN + RWSE2026.04 | 0.2545 | |
| BN-PoolPooler=BN-Pool2025.01 | 0.255 | |
| SpecformerModel Type=Transformer2026.05 | 0.255 | |
| PathNN-APK=42023.06 | 0.2569 | |
| DRew-GIN+LapPEModel Category=Multi-hop GNNs, Structural and Positional Encoding=true2026.05 | 0.2606 | |
| FloydNetModel Class=Ours2026.01 | 0.2612 | |
| MixHop-GCN+LapPEModel Category=Multi-hop GNNs, Structural and Positional Encoding=true2026.05 | 0.2614 | |
| DIGL+MPNN+LapPEModel Category=Multi-hop GNNs, Structural and Positional Encoding=true2026.05 | 0.2616 | |
| ECPoolPooler=ECPool2025.01 | 0.262 | |
| BiScale-GTR (Molecule)2026.04 | 0.2621 | |
| ChebNetModel Type=GNN2026.05 | 0.2627 | |
| k-MISPooler=k-MIS2025.01 | 0.263 | |
| GraclusPooler=Graclus2025.01 | 0.264 | |
| JBGNNPooler=JBGNN2025.01 | 0.264 | |
| MinCutPooler=MinCut2025.01 | 0.265 | |
| Top-kPooler=Top-k2025.01 | 0.266 |