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Equivariant Graph Hierarchy-Based Neural Networks

NeurIPS 2022 · Graph learning › GNN architectures · approach: Equivariant networks for molecules · 6 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
remove hierarchy (w/o Hierarchy) (ablation)EGHN · Mocap WalkMSE: 21.9 -> 8.5Helped
remove hierarchy (w/o Hierarchy) (ablation)EGHN · Mocap RunMSE: 42.1 -> 25.9Helped
remove equivariance (ablation)EGHN · Mocap WalkMSE: 19.7 -> 8.5Helped
remove connectivity loss (ablation)EGHN · Mocap WalkMSE: 10.5 -> 8.5Helped
use only global adjacency instead of both (ablation)EGHN · Mocap WalkMSE: 8.5 -> 17.4Hurt
use only local adjacency instead of both (ablation)EGHN · Mocap WalkMSE: 8.5 -> 16.8Hurt
replace EGHN by EGNN (ablation)EGHN · Mocap WalkMSE: 22.3 -> 8.5Helped
number of clusters K=3 vs 5 (ablation)EGHN · Mocap WalkMSE: 10.1 -> 8.5Helped
number of clusters K=8 vs 5 (ablation)EGHN · Mocap WalkMSE: 14.9 -> 8.5Helped
sweep clusters 1 to 5 on Complex (3, 3) (ablation)EGHN · Simulation Complex (3, 3)MSE: 14.86 -> 11.58Mixed
sweep clusters K on Protein MD (ablation)EGHN · Protein MDMSE: 2.132 -> 1.843Mixed
hierarchy via cluster assignment vs identity (w/o hier) (ablation)EGHN · Complex (3,3)MSE: 12.24 -> 11.58Helped

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