Research map / Graph learning / GNN architectures
Can Graph Neural Networks Count Substructures?
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Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Use LRP with depth-1 egonets for substructure counting | LRP · Synthetic graphs, radius-1 patterns | normalized test MSE: 1.56E-4 (triangle) and 2.17E-5 (3-star) on Erdős-Renyi; 2.47E-4 (triangle) and 1.88E-6 (3-star) on Random Regular | Helped |
| Use LRP-1-3 instead of PPGN | Synthetic random graphs · Triangle induced-subgraph-count | normalized test MSE: 5.08E-8 vs 1.56E-4 (Erdős-Renyi); 1.40E-6 vs 2.47E-4 (Random Regular) | Mixed |
| Use Deep LRP-1-3 with early stopping | Deep LRP-1-3 · ogbg-molhiv test | ROC-AUC (%): 76.87$\pm$1.80 -> 77.19$\pm$\textbf{1.40} | Helped |
| Use Deep LRP-5-1 instead of MPNN | QM9 · ε_homo test | MAE: 0.00541 -> 0.00254 | Helped |
| Use Deep LRP-5-1 instead of MPNN | QM9 · ε_lumo test | MAE: 0.00623 -> 0.00277 | Helped |
| Use Deep LRP-5-1 instead of MPNN | QM9 · Δε test | MAE: 0.0066 -> 0.00353 | Helped |
| Use Deep LRP-7-1 instead of GatedGCN-E-PE without feature augmentation | ZINC · ZINC test | MAE: 0.214 $\pm$ 0.013 -> 0.223 $\pm$ 0.008 | Hurt |
| Use Deep LRP-5-1 instead of PPGN | QM9 · Total loss | Loss: 0.0512 -> 0.0567 | Hurt |
| Use MPNNs or 2-IGNs to count connected induced patterns with at least 3 nodes | MPNNs and 2-IGNs · Attributed graphs, connected patterns with 3 or more nodes | induced-subgraph-count expressivity | Hurt |
| Use MPNNs or 2-IGNs to count star-shaped subgraphs | MPNNs and 2-IGNs · Attributed graphs, star-shaped patterns | subgraph-count expressivity | Helped |
| Increase tuple order to k for counting patterns of size at most k | k-WL and k-IGN · Attributed graphs, patterns of at most k nodes | subgraph and induced-subgraph count expressivity | Helped |
| Limit k-WL to T iterations | k-WL · Path patterns with (k+1)2^T or more nodes | induced-subgraph-count expressivity: (k+1)2^T or more nodes | Hurt |
Closest papers by meaning
- Graph Neural Networks Can (Often) Count Substructures (ICLR 2025 · similarity 0.96)
- Homomorphism Counts for Graph Neural Networks: All About That Basis (ICML 2024 · similarity 0.93)
- A Flexible, Equivariant Framework for Subgraph GNNs via Graph Products and Graph Coarsening (NeurIPS 2024 · similarity 0.88)
- On the Power of the Weisfeiler-Leman Test for Graph Motif Parameters (ICLR 2024 · similarity 0.88)
- Deep Homomorphism Networks (NeurIPS 2024 · similarity 0.88)
- Beyond Weisfeiler-Lehman: A Quantitative Framework for GNN Expressiveness (ICLR 2024 · similarity 0.87)
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