arXiv:2603.02025cs.LGcs.AI2026-03被引 1

让图神经网络的推理过程可量化,看清每个概念的贡献

Revealing Combinatorial Reasoning of GNNs via Graph Concept Bottleneck Layer

  • 用概念瓶颈层引导GNN关注关键图特征
  • 能定量分析每个概念对预测的贡献度
  • 适合需要可解释性的图学习研究者

尽管图神经网络在多个领域表现优异,但其预测背后的组合推理机制常隐藏于黑箱架构中。现有方法仅能发现硬逻辑规则,无法量化各概念的贡献,且为训练后解释,可能不准确。本文提出图概念瓶颈层(GCBM),可嵌入任意GNN架构,引导模型预测关键全局图概念,并通过稀疏线性层将概念得分映射到类别标签。该方法强制模型推理遵循软逻辑规则,实现概念贡献的可量化。进一步将概念视为“图词”,图视为“图句”,利用语言模型学习图概念嵌入。在多个数据集上的实验表明,GCBM在分类与可解释性上均达到当前最优性能。

原文摘要 · Abstract (English)

Despite their success in various domains, the growing dependence on GNNs raises a critical concern about the nature of the combinatorial reasoning underlying their predictions, which is often hidden within their black-box architectures. Addressing this challenge requires understanding how GNNs translate topological patterns into logical rules. However, current works only uncover the hard logical rules over graph concepts, which cannot quantify the contribution of each concept to prediction. Moreover, they are post-hoc interpretable methods that generate explanations after model training and may not accurately reflect the true combinatorial reasoning of GNNs, since they approximate it with a surrogate. In this work, we develop a graph concept bottleneck layer that can be integrated into any GNN architectures to guide them to predict the selected discriminative global graph concepts. The predicted concept scores are further projected to class labels by a sparse linear layer. It enforces the combinatorial reasoning of GNNs' predictions to fit the soft logical rule over graph concepts and thus can quantify the contribution of each concept. To further improve the quality of the concept bottleneck, we treat concepts as "graph words" and graphs as "graph sentences", and leverage language models to learn graph concept embeddings. Extensive experiments on multiple datasets show that our method GCBMs achieve state-of-the-art performance both in classification and interpretability.

图神经网络可解释性概念瓶颈组合推理

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