arXiv:2508.11513cs.LGcs.AI2025-08被引 2

提出GraphOracle框架,实现图神经网络的可信类别级自解释。

Towards Faithful Class-level Self-explainability in Graph Neural Networks by Subgraph Dependencies

  • 联合学习图分类器与判别性稀疏子图,捕捉图-子图-预测依赖关系。
  • 实验证明现有方法在类别级解释上效果不佳,GraphOracle显著提升可解释性。
  • 采用熵正则化子图选择,避免计算瓶颈,适合大规模图数据训练。

提升图神经网络(GNN)的可解释性对确保其安全公平部署至关重要。近期工作提出了自解释GNN,在训练过程中生成解释,提升了忠实度和效率。部分模型如ProtGNN和PGIB学习类别特定原型,为类别级解释提供了可能,但其评估仅聚焦于实例级解释,未验证这些原型是否在同类别实例间有效泛化。本文提出GraphOracle,一种新型自解释GNN框架,用于生成和评估GNN的类别级解释。该模型联合学习一个GNN分类器和一组结构化、稀疏的子图,这些子图对每个类别具有判别性。我们提出一种新颖的集成训练策略,高效且忠实地捕捉图-子图-预测依赖关系,并通过基于掩码的评估策略进行验证。该策略使我们能够回溯评估ProtGNN和PGIB等先前方法是否提供有效的类别级解释。结果表明,它们并不具备。相比之下,GraphOracle在多种图分类任务中实现了更高的忠实度、可解释性和可扩展性。我们进一步证明,GraphOracle通过熵正则化子图选择和轻量级随机游走提取,避免了以往方法(如蒙特卡洛树搜索)的计算瓶颈,实现更快更可扩展的训练。这些发现使GraphOracle成为可信类别级自解释GNN的实用且原则性解决方案。

原文摘要 · Abstract (English)

Enhancing the interpretability of graph neural networks (GNNs) is crucial to ensure their safe and fair deployment. Recent work has introduced self-explainable GNNs that generate explanations as part of training, improving both faithfulness and efficiency. Some of these models, such as ProtGNN and PGIB, learn class-specific prototypes, offering a potential pathway toward class-level explanations. However, their evaluations focus solely on instance-level explanations, leaving open the question of whether these prototypes meaningfully generalize across instances of the same class. In this paper, we introduce GraphOracle, a novel self-explainable GNN framework designed to generate and evaluate class-level explanations for GNNs. Our model jointly learns a GNN classifier and a set of structured, sparse subgraphs that are discriminative for each class. We propose a novel integrated training that captures graph$\unicode{x2013}$subgraph$\unicode{x2013}$prediction dependencies efficiently and faithfully, validated through a masking-based evaluation strategy. This strategy enables us to retroactively assess whether prior methods like ProtGNN and PGIB deliver effective class-level explanations. Our results show that they do not. In contrast, GraphOracle achieves superior fidelity, explainability, and scalability across a range of graph classification tasks. We further demonstrate that GraphOracle avoids the computational bottlenecks of previous methods$\unicode{x2014}$like Monte Carlo Tree Search$\unicode{x2014}$by using entropy-regularized subgraph selection and lightweight random walk extraction, enabling faster and more scalable training. These findings position GraphOracle as a practical and principled solution for faithful class-level self-explainability in GNNs.

图神经网络自解释可解释性子图

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