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UNR-Explainer: Counterfactual Explanations for Unsupervised Node Representation Learning Models

ICLR 2024 · Graph learning › Graph self-supervised learning · approach: LLMs and graph foundation models

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Proposes UNR-Explainer, an MCTS-based method with a restart-based selection policy that finds sparse counterfactual subgraphs explaining top-k nearest-neighbor changes in unsupervised node embeddings (GraphSAGE, DGI).

Problem

Explaining unsupervised node representation models lacks counterfactual explanations because there are no class labels or decision boundaries; the paper targets counterfactual explanations for changes in a node's top-k nearest neighbors in embedding space, which matter for downstream link prediction

Approach

Defines counterfactual "Importance" as the fraction of a node's top-k embedding neighbors changed when a candidate subgraph's edges are removed, and searches for minimal, high-Importance subgraphs with MCTS augmented by a random-walk-with-restart selection policy that returns to the target node.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use UNR-Explainer counterfactual subgraphs instead of baseline explanationsUnsupervised GraphSAGE explanations · Cora, CiteSeer, and PubMedImportance: 0.544 / 0.643 / 0.631 (RW-G) -> 0.960 / 0.910 / 0.903Helped
Use UNR-Explainer counterfactual subgraphs instead of baseline explanationsUnsupervised GraphSAGE/DGI explanations · Cora, CiteSeer, and PubMedValidity: 0.265 / 0.393 / 0.478 (RW-G) -> 0.911 / 0.778 / 0.847Helped
Use UNR-Explainer explanations rather than the strongest recall baselineUnsupervised GraphSAGE explanations · Tree-GridsRecall: 0.360 -> 0.519Helped
Use UNR-Explainer explanations rather than 1hop-3NUnsupervised GraphSAGE explanations · BA-ShapesPrecision: 0.943 -> 0.923Hurt
Use UNR-Explainer explanations rather than 1hop-3NUnsupervised GraphSAGE explanations · Tree-CyclesImportance: 0.994 -> 1.000Helped
Use UNR-Explainer explanations rather than 1hop-2NUnsupervised GraphSAGE explanations · Tree-GridsPrecision: 0.965 -> 0.943Hurt
Add the restart selection policy (ablation)UNR-Explainer MCTS · CoraImportance: 0.955 -> 0.960Helped
Add the restart selection policy (ablation)UNR-Explainer MCTS · CoraInference time (s): 8.11 -> 4.63Helped
Use average rather than maximum reward in UCB (ablation)MCTS subgraph traversal · CoraImportance: 0.949 vs. 0.960Hurt
Add node degree as UCB proximity guidance (ablation)MCTS subgraph traversal · CoraImportance: 0.951 vs. 0.960Hurt
Add common-neighbor count as UCB proximity guidance (ablation)MCTS subgraph traversal · CoraImportance: 0.956 vs. 0.960Hurt
Add feature cosine similarity as UCB proximity guidance (ablation)MCTS subgraph traversal · CoraImportance: 0.953 vs. 0.960Hurt

Surprising findings

Limitations

Experimental setup

Datasets: BA-Shapes Tree-Cycles Tree-Grids Cora CiteSeer PubMed NIPS co-author network

Benchmarks: BA-Shapes Tree-Cycles Tree-Grids Cora CiteSeer PubMed

Metrics: Importance Size Precision Recall Validity Probability of Necessity Homogeneity Delta Homogeneity Time

Baselines: 1hop-2N 1hop-3N k-NN graph RW-G RW-G w/ Restart Taxonomy induction TAGE SubgraphX

Builds on: Monte Carlo Tree Search SubgraphX TAGE GraphSAGE Deep Graph Infomax

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