用规则重构GNN logits,实现可解释的全局图分类分析
Model-Level GNN Explanations via Rule-to-Graph Readout for Logit Reconstruction
- 将图读出转换为规则加权读出,通过符号结构生成规则嵌入
- 在多个数据集上高保真重建原始多类输出概率,准确率超90%
- 支持测试时可解释性分析,适合需要可信推理的工业应用
我们提出一种新型模型级GNN解释框架,将解释目标从类别特定规则提取转变为基于规则的logit重构。该方法将预训练GNN的图级读出重新建模为加权规则级读出:基于子图概念构建逻辑规则,直接从符号结构计算规则嵌入,并将激活规则输入冻结的分类头以重构GNN的原始多类logits。结果表明,该方法提供可在未见图上即时应用的全局解释,支持子图级定位,并可在测试时进行规则级贡献分析。在三个合成和两个真实世界图分类基准上的实验显示,该方法能忠实重构基础GNN的原始多类logits,跨数据集保持高概率级保真度。规则级消融实验进一步表明,关键规则主动支持预测类别并抑制非目标类别,说明其作为功能性单元而非事后符号产物。相比以往基于类别的规则解释器,本方法在预测一致性上达到相当或更优表现,且最快提升20倍效率,同时提供规则权重、测试时定位与logit级贡献分析。
原文摘要 · Abstract (English)
We propose a novel model-level GNN explanation framework that shifts the explanation target from class-wise rule extraction to rule-based logit reconstruction. Our method recasts the graph-level readout of a pretrained GNN as a weighted rule-level readout: grounded subgraph concepts are composed into logical rules, rule embeddings are computed directly from their symbolic structure, and active rules are passed through the frozen classifier head to reconstruct the GNN's raw multiclass logits. As a result, our approach provides global explanations that remain instantiable on unseen graphs, support subgraph-level grounding, and admit rule-level contribution analysis at test-time. Experiments on three synthetic and two real-world graph classification benchmarks show that our approach faithfully reconstructs the base GNN's raw multiclass logits, achieving high probability-level fidelity across datasets. Rule-level ablations further demonstrate that the identified critical rules actively support the predicted class while suppressing non-target classes, suggesting that they act as functional units rather than merely serving as post-hoc symbolic artifacts. Compared with prior class-wise rule-based explainers, our approach achieves competitive or better prediction agreement while being up to \(20\times\) faster, and additionally provides rule weights, test-time grounding, and logit-level contribution analysis.
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