Multi-RF Fusion with Multi-GNN Blending for Molecular Property Prediction

Multi-RF Fusion achieves a test ROC-AUC of $0.8476 0.0002$ on ogbg-molhiv (10 seeds), placing #1 on the OGB leaderboard ahead of HyperFusion ($0.8475 0.0003$). The core of the method is a rank-averaged ensemble of 12 Random Forest models trained on concatenated molecular fingerprints (FCFP, ECFP, MACCS, atom pairs --- 4,263 dimensions total), blended with deep-ensembled GNN predictions at 12\ Two findings drive the result: (1) setting max_features to 0.20 instead of the default $ $ gives a $+0.008$ AUC gain on this scaffold split, and (2) averaging GNN predictions across 10 seeds before blending with the RF eliminates GNN seed variance entirely, dropping the final standard deviation from 0.0008 to 0.0002. No external data or pre-training is used.