通过专家路由机制,让图模型自动发现并理解复杂子图结构。
MoSE: Unveiling Structural Patterns in Graphs via Mixture of Subgraph Experts
- 用匿名游走提取子图,按结构语义动态分配给专用专家
- 在多个任务上超越基线,且理论证明比SWL测试更强大
- 适合需要可解释性的图分析场景,如节点分类和图判别
尽管图神经网络(GNN)在图数据学习中取得显著成功,但其依赖局部成对消息传递的机制限制了对复杂高阶子图模式的捕捉能力,导致结构表达力不足。现有方法尝试将随机游走核融入GNN以增强表达力,但这类方法本质上针对图级任务设计,难以应用于节点分类等下游任务,且固定核配置降低了模型灵活性。为此,本文提出一种新型的子图专家混合框架(MoSE),实现跨多样化图任务的灵活且富有表现力的子图表示学习。MoSE通过匿名游走提取有信息量的子图,并根据结构语义动态路由至专用专家,从而提升捕捉多样子图模式的能力,同时增强模型灵活性与可解释性。我们进一步从理论上分析了MoSE在子图Weisfeiler-Lehman(SWL)测试中的表达力,证明其强于标准的SWL测试。大量实验及所学子图专家的可视化结果表明,MoSE不仅性能优于现有基线,还能提供对模型学习到的结构模式的可解释洞察。
原文摘要 · Abstract (English)
While graph neural networks (GNNs) have achieved great success in learning from graph-structured data, their reliance on local, pairwise message passing restricts their ability to capture complex, high-order subgraph patterns. leading to insufficient structural expressiveness. Recent efforts have attempted to enhance structural expressiveness by integrating random walk kernels into GNNs. However, these methods are inherently designed for graph-level tasks, which limits their applicability to other downstream tasks such as node classification. Moreover, their fixed kernel configurations hinder the model's flexibility in capturing diverse subgraph structures. To address these limitations, this paper proposes a novel Mixture of Subgraph Experts (MoSE) framework for flexible and expressive subgraph-based representation learning across diverse graph tasks. Specifically, MoSE extracts informative subgraphs via anonymous walks and dynamically routes them to specialized experts based on structural semantics, enabling the model to capture diverse subgraph patterns with improved flexibility and interpretability. We further provide a theoretical analysis of MoSE's expressivity within the Subgraph Weisfeiler-Lehman (SWL) Test, proving that it is more powerful than SWL. Extensive experiments, together with visualizations of learned subgraph experts, demonstrate that MoSE not only outperforms competitive baselines but also provides interpretable insights into structural patterns learned by the model.
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