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Stratified GNN Explanations through Sufficient Expansion
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Proposes STFExplainer, a stratified post-hoc GNN explainer that produces explanatory subgraphs at each level of a graph's hierarchical clustering, using a "sufficient expansion" to map high-level subgraphs back to the input graph for mutual-information optimization.
Problem
Explaining GNN predictions on hierarchically clustered graphs at multiple structural levels, which flat edge-level explainers and motif-centric hierarchy-aware explainers cannot provide.
Approach
Formulates multi-level GNN explanation as mutual-information maximization over level-l subgraphs, introduces a sufficient expansion function that maps a high-level subgraph to all its underlying low-level edges, and learns a hierarchy-aware coarsening module plus attribution module (on top of PGExplainer-style optimization) to score cluster-level edges.
Key results
- On real-world datasets, STFExplainer achieves fidelity ACC 0.951 on MUTAG (vs. 0.943 for SA) and ranks top-2 in several fidelity/recall metrics, with an average deviation of 11% from the best alternative.
- On the synthetic BA-Hierarchy-motif dataset, STFExplainer reaches recall 0.666 versus 0.560 for the best baseline (Motif-add), an average deviation of 8%.
- Wilcoxon tests show significant gains over the leading baseline on QMOFs fidelity (p<8e-6), while no significant difference on MUTAG fidelity (ACC p=0.4).
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Sufficient expansion of high-level subgraphs (STFExplainer) vs. flat/motif-based explainers | STFExplainer · BA-Hierarchy-motif | Recall: 0.666 vs 0.560 best baseline (Motif-add) | Helped |
| Hierarchy-aware coarsening + multi-level attribution with sufficient expansion | STFExplainer · MUTAG | Fidelity (ACC): 0.951 vs 0.943 for SA/DeepLift; not significant (p=0.4) | No clear effect |
| Proposed method vs. PGMExplainer on QMOFs fidelity | STFExplainer · QMOFs | Fidelity (R2): 0.511 vs 0.581 for PGMExplainer | Hurt |
| Sampling low-level subgraphs instead of sufficient expansion of high-level subgraphs (ablation) | explanatory subgraphs on MOFs · MOFs (QMOFs) mutual information | MI deviation from sufficient expansion: MI changes above 2 times at 80% sampling in 2 of 3 settings | Hurt |
Surprising findings
- On MUTAG, SA and DeepLift outperform or match STFExplainer on some fidelity metrics, and the method outperforms the second-best method in only 2 of 5 metrics on the real-world data.
- On QMOFs, STFExplainer slightly lags PGMExplainer in fidelity.
Limitations
- Built on PGExplainer's optimization, so performance on non-hierarchical graphs is expected to be close to PGExplainer rather than superior.
- Explanations are extracted layer by layer; cross-layer optimization is not handled.
- On QMOFs fidelity it trails PGMExplainer; the method was not applied on top of other baselines due to cost.
Experimental setup
Datasets: MUTAG QMOFs BA-Hierarchy-motif
Benchmarks: MUTAG QMOFs BA-Hierarchy-motif
Metrics: fidelity (ACC) fidelity (CE) fidelity (R2) fidelity (MAE) recall sparsity
Baselines: Motif-mul Motif-add Motif-max SA DeepLift CXPlain GNNExplainer PGExplainer Refine-CT PGMExplainer
Builds on: PGExplainer GNNExplainer Refine MotifExplainer
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