QGShap: Quantum Acceleration for Faithful GNN Explanations
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Abstract (arXiv)
Graph Neural Networks (GNNs) have become indispensable in critical domains such as drug discovery, social network analysis, and recommendation systems, yet their black-box nature hinders deployment in scenarios requiring transparency and accountability. While Shapley value-based methods offer mathematically principled explanations by quantifying each component's contribution to predictions, computing exact values requires evaluating 2n coalitions (or aggregating over n! permutations), which is intractable for real-world graphs. Existing approximation strategies sacrifice either fidelity or efficiency, limiting their practical utility. We introduce QGShap, a quantum computing approach that leverages amplitude amplification to achieve quadratic speedups in coalition evaluation while maintaining exact Shapley computation. Unlike classical sampling or surrogate methods, our approach provides fully faithful explanations without approximation trade-offs for tractable graph sizes. We conduct empirical evaluations on synthetic graph datasets, demonstrating that QGShap achieves consistently high fidelity and explanation accuracy, matching or exceeding the performance of classical methods across all evaluation metrics. These results collectively demonstrate that QGShap not only preserves exact Shapley faithfulness but also delivers interpretable, stable, and structurally consistent explanations that align with the underlying graph reasoning of GNNs. The implementation of QGShap is available at https://github.com/smlab-niser/qgshap.
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References · 24
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12 more
- 2020GraphLIME: Local Interpretable Model Explanations for Graph Neural Networkscited by 209
- 2022Graph neural networks for materials science and chemistrycited by 181
- 2022Evaluating Explainability for Graph Neural Networkscited by 85
- 2021GraphSVX: Shapley Value Explanations for Graph Neural Networkscited by 63
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- 2023When is Shapley Value Computation a Matter of Counting?cited by 8
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- 2022The Complexity of the Shapley Value for Regular Path Queriescited by 5
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- 2024A Shapley Value Estimation Speedup for Efficient Explainable Quantum AIcited by 2
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