用拓扑方法识别图神经网络的可信推理子图,提升模型可解释性。
TopInG: Topologically Interpretable Graph Learning via Persistent Rationale Filtration
- 基于持久同调构建理由子图生成流程,捕捉稳定结构特征。
- 引入拓扑差异约束,使有效子图与无关部分在拓扑上明显区分。
- 在复杂多样的理由结构下表现更优,适合高风险决策场景。
图神经网络在多个科学领域表现出色,但在关键决策中因缺乏可解释性而受限。近期研究尝试通过识别图中的理由子结构来提升可解释性,但现有方法难以应对复杂多变的理由子图。本文提出TopInG:一种基于持久同调的拓扑可解释图学习框架,通过理由滤波学习建模理由子图的自回归生成过程,并引入自适应拓扑约束——拓扑差异,以确保理由子图与无关部分在拓扑上保持持久区分。理论证明,在特定条件下,损失函数仅在真实理由子图处取得唯一最优解。大量实验表明,该方法能有效应对多样化理由子图、平衡预测性能与可解释性,并缓解虚假相关。结果优于当前最先进方法,在预测准确率和解释质量上均有提升。
原文摘要 · Abstract (English)
Graph Neural Networks (GNNs) have shown remarkable success across various scientific fields, yet their adoption in critical decision-making is often hindered by a lack of interpretability. Recently, intrinsically interpretable GNNs have been studied to provide insights into model predictions by identifying rationale substructures in graphs. However, existing methods face challenges when the underlying rationale subgraphs are complex and varied. In this work, we propose TopInG: Topologically Interpretable Graph Learning, a novel topological framework that leverages persistent homology to identify persistent rationale subgraphs. TopInG employs a rationale filtration learning approach to model an autoregressive generation process of rationale subgraphs, and introduces a self-adjusted topological constraint, termed topological discrepancy, to enforce a persistent topological distinction between rationale subgraphs and irrelevant counterparts. We provide theoretical guarantees that our loss function is uniquely optimized by the ground truth under specific conditions. Extensive experiments demonstrate TopInG's effectiveness in tackling key challenges, such as handling variform rationale subgraphs, balancing predictive performance with interpretability, and mitigating spurious correlations. Results show that our approach improves upon state-of-the-art methods on both predictive accuracy and interpretation quality.
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