arXiv:2508.01048cs.LG2025-08KDD被引 6

揭示图神经网络解释方法的梯度原理,统一不同解释技术的理论基础。

Explaining GNN Explanations with Edge Gradients

  • 通过边梯度建立扰动法与传统梯度法的理论关联。
  • 发现输入级解释中符号梯度可近似GNNExplainer,提升效率。
  • 在真实与合成数据上验证理论,适用于复杂图模型解释场景。

近年来,图神经网络(GNN)在图结构数据上的成功推动了多种GNN预测解释方法的发展。然而,当前GNN可解释性方法仍缺乏稳定评价标准,不同对比实验对各方法效果评价不一,尤其在复杂GNN架构和任务上表现不佳。本文从两个层面分析GNN解释:输入级解释(生成输入图的子图)与层级解释(生成计算图的子图)。我们首次建立了基于扰动的方法与经典梯度方法之间的理论联系,并揭示了其他近期方法的内在关联。在输入级,我们证明了在特定条件下,GNNExplainer可被基于边梯度符号的简单启发式方法近似。在层级设置中,我们指出边梯度等价于线性GNN的遮蔽搜索。最后,我们在合成与真实数据集上通过实验验证了这些理论结果的实际表现。

原文摘要 · Abstract (English)

In recent years, the remarkable success of graph neural networks (GNNs) on graph-structured data has prompted a surge of methods for explaining GNN predictions. However, the state-of-the-art for GNN explainability remains in flux. Different comparisons find mixed results for different methods, with many explainers struggling on more complex GNN architectures and tasks. This presents an urgent need for a more careful theoretical analysis of competing GNN explanation methods. In this work we take a closer look at GNN explanations in two different settings: input-level explanations, which produce explanatory subgraphs of the input graph, and layerwise explanations, which produce explanatory subgraphs of the computation graph. We establish the first theoretical connections between the popular perturbation-based and classical gradient-based methods, as well as point out connections between other recently proposed methods. At the input level, we demonstrate conditions under which GNNExplainer can be approximated by a simple heuristic based on the sign of the edge gradients. In the layerwise setting, we point out that edge gradients are equivalent to occlusion search for linear GNNs. Finally, we demonstrate how our theoretical results manifest in practice with experiments on both synthetic and real datasets.

图神经网络可解释性梯度分析

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。