arXiv:2505.00364cs.LG2025-05ICLR被引 7

提出树形框架,让图神经网络在多粒度上解释决策过程。

From GNNs to Trees: Multi-Granular Interpretability for Graph Neural Networks

  • 将图神经网络转为分层树结构,每层代表不同粗粒度的图
  • 通过自适应路由识别关键决策路径,实现多粒度可解释性
  • 适用于蛋白质等具有多层次关系的真实图任务

可解释图神经网络旨在揭示模型预测背后的推理机制,将决策归因于特定的有意义子图。然而,现有基于子图的可解释方法过度关注局部结构,可能忽略图整体的长程依赖。尽管近期基于图粗化的研究有助于全局可解释性,但它们不可避免地将图简化为固定粒度,难以捕捉不同层次的关系。本文提出一种树形可解释框架(TIF),将普通GNN转化为分层树结构,每层以不同粗粒度的图作为节点。TIF迭代使用图粗化模块,将原始图(树根节点)压缩为越来越粗的图(子节点),并通过专用图扰动模块保持分支间节点多样性。最后,设计自适应路由模块识别从根到叶的最相关信息路径,不仅输出预测结果,还提供多粒度决策解释。在合成与真实世界图分类数据集上的大量实验表明,TIF在可解释性方面表现更优,同时预测性能媲美当前最先进模型。

原文摘要 · Abstract (English)

Interpretable Graph Neural Networks (GNNs) aim to reveal the underlying reasoning behind model predictions, attributing their decisions to specific subgraphs that are informative. However, existing subgraph-based interpretable methods suffer from an overemphasis on local structure, potentially overlooking long-range dependencies within the entire graphs. Although recent efforts that rely on graph coarsening have proven beneficial for global interpretability, they inevitably reduce the graphs to a fixed granularity. Such an inflexible way can only capture graph connectivity at a specific level, whereas real-world graph tasks often exhibit relationships at varying granularities (e.g., relevant interactions in proteins span from functional groups, to amino acids, and up to protein domains). In this paper, we introduce a novel Tree-like Interpretable Framework (TIF) for graph classification, where plain GNNs are transformed into hierarchical trees, with each level featuring coarsened graphs of different granularity as tree nodes. Specifically, TIF iteratively adopts a graph coarsening module to compress original graphs (i.e., root nodes of trees) into increasingly coarser ones (i.e., child nodes of trees), while preserving diversity among tree nodes within different branches through a dedicated graph perturbation module. Finally, we propose an adaptive routing module to identify the most informative root-to-leaf paths, providing not only the final prediction but also the multi-granular interpretability for the decision-making process. Extensive experiments on the graph classification benchmarks with both synthetic and real-world datasets demonstrate the superiority of TIF in interpretability, while also delivering a competitive prediction performance akin to the state-of-the-art counterparts.

图神经网络可解释性多粒度树结构

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