arXiv:2510.05683cs.LGcs.AI2025-10

为量子图神经网络提供带不确定性的可解释性框架

QGraphLIME - Explaining Quantum Graph Neural Networks

  • 通过结构保持扰动构建局部代理模型,聚合归因与方差
  • 在合成图上实现精准稳定的节点/边重要性排序
  • 适合量子机器学习研究者和需可信解释的领域

量子图神经网络在图结构数据学习中表现强大,但其可解释性受限于测量引起的随机性和图结构的组合复杂性。本文提出量子图神经网络解释框架QGraphLIME,一种模型无关、事后分析的方法,将解释视为在结构保持扰动图上拟合的局部代理模型的分布。通过聚合代理归因及其离散度,QGraphLIME生成考虑不确定性的节点与边重要性排序。该框架还提供了无需分布假设、基于有限样本的代理集合大小保证:在标准独立性假设下,Dvoretzky-Kiefer-Wolfowitz界确保二分类概率分布的均匀逼近达到目标精度与置信水平。在具有已知真实标签的可控合成图上的实验表明,该方法能产生准确且稳定的结果;消融实验显示非线性代理建模的优势,并揭示对扰动设计的敏感性。这些结果建立了一种原理清晰、考虑不确定性且结构敏感的量子图神经网络解释方法,为未来扩展至更广泛架构和真实数据集奠定基础。代码见https://github.com/smlab-niser/qglime。

原文摘要 · Abstract (English)

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.

量子机器学习图神经网络可解释性不确定性

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