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Regression on QM7 High resolution

9.9MAELanczos
-63.12429.765922.651,415.535May 29, 2026

Evaluation results

MethodLinks
LanczosTraining Resolution=High, Inference Resolution=High2026.059.9
SpectralresTraining Resolution=Low, Inference Resolution=High2026.0515.8
SpectralexpTraining Resolution=High, Inference Resolution=High2026.0515.9
SpectralexpTraining Resolution=Low, Inference Resolution=High2026.0516
GINTraining Resolution=High, Inference Resolution=High2026.0517
SpectralresTraining Resolution=High, Inference Resolution=High2026.0517.2
MPNNexpTraining Resolution=High, Inference Resolution=High2026.0517.4
MPNNresTraining Resolution=Low, Inference Resolution=High2026.0517.6
MPNNexpTraining Resolution=Low, Inference Resolution=High2026.0517.9
MPNNresTraining Resolution=High, Inference Resolution=High2026.0518
UFGNetTraining Resolution=High, Inference Resolution=High2026.0562.4
GCNTraining Resolution=High, Inference Resolution=High2026.0563.6
SAG-MTraining Resolution=High, Inference Resolution=High2026.0566.6
ChebNetTraining Resolution=High, Inference Resolution=High2026.0566.7
GATv2Training Resolution=High, Inference Resolution=High2026.0567.4
SAGTraining Resolution=High, Inference Resolution=High2026.0568.2
GCNTraining Resolution=Low, Inference Resolution=High2026.05138.1
UFGNetTraining Resolution=Low, Inference Resolution=High2026.05148.1
ChebNetTraining Resolution=Low, Inference Resolution=High2026.05158.7
SAG-MTraining Resolution=Low, Inference Resolution=High2026.05219.5
GATv2Training Resolution=Low, Inference Resolution=High2026.05257.4
SAGTraining Resolution=Low, Inference Resolution=High2026.05283.6
LanczosTraining Resolution=Low, Inference Resolution=High2026.05658.6
GINTraining Resolution=Low, Inference Resolution=High2026.051,835.4