QGraphLIME - Explaining Quantum Graph Neural Networks
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Abstract (arXiv)
Quantum graph neural networks offer a powerful paradigm for learning on graph-structured data, yet their explainability is complicated by measurement-induced stochasticity and the combinatorial nature of graph structure. In this paper, we introduce QuantumGraphLIME (QGraphLIME), a model-agnostic, post-hoc framework that treats model explanations as distributions over local surrogates fit on structure-preserving perturbations of a graph. By aggregating surrogate attributions together with their dispersion, QGraphLIME yields uncertainty-aware node and edge importance rankings for quantum graph models. The framework further provides a distribution-free, finite-sample guarantee on the size of the surrogate ensemble: a Dvoretzky-Kiefer-Wolfowitz bound ensures uniform approximation of the induced distribution of a binary class probability at target accuracy and confidence under standard independence assumptions. Empirical studies on controlled synthetic graphs with known ground truth demonstrate accurate and stable explanations, with ablations showing clear benefits of nonlinear surrogate modeling and highlighting sensitivity to perturbation design. Collectively, these results establish a principled, uncertainty-aware, and structure-sensitive approach to explaining quantum graph neural networks, and lay the groundwork for scaling to broader architectures and real-world datasets, as quantum resources mature. Code is available at https://github.com/smlab-niser/qglime.
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References · 20
- 2016Semi-Supervised Classification with Graph Convolutional Networkscited by 11,282
- 2017Graph Attention Networkscited by 8,854
- 2017A Unified Approach to Interpreting Model Predictionscited by 6,488
- 2016"Why Should I Trust You?": Explaining the Predictions of Any Classifiercited by 5,040
- 2017Neural Message Passing for Quantum Chemistrycited by 3,460
- 2019A Comprehensive Survey on Graph Neural Networkscited by 2,906
- 2017Towards A Rigorous Science of Interpretable Machine Learningcited by 1,400
- 2019GNNExplainer: Generating Explanations for Graph Neural Networkscited by 735
- 2021On Explainability of Graph Neural Networks via Subgraph Explorationscited by 280
- 2016Visualizing the Effects of Predictor Variables in Black Box Supervised Learning Modelscited by 212
- 2020GraphLIME: Local Interpretable Model Explanations for Graph Neural Networkscited by 209
- 2022Evaluating Explainability for Graph Neural Networkscited by 85
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- 2019Quantum Graph Neural Networkscited by 66
- 2022Equivariant quantum circuits for learning on weighted graphscited by 41
- 2023On the Interpretability of Quantum Neural Networkscited by 13
- 2022eXplainable AI for Quantum Machine Learningcited by 8
- 2024From Graphs to Qubits: A Critical Review of Quantum Graph Neural Networkscited by 6
- 2021Learning Graph Representationscited by 5
- 2023Structural Explanations for Graph Neural Networks using HSICcited by 4
- 2024Feature Importance and Explainability in Quantum Machine Learningcited by 4
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