arXiv:2511.12838cs.LGcs.AI2025-11中稿 · AAAI

通过拓扑引导的稀疏化,让高阶图神经网络在保持表达力的同时提速。

Connectivity-Guided Sparsification of 2-FWL GNNs: Preserving Full Expressivity with Improved Efficiency

  • 只在双连通子图中保留三节点交互,其余用二节点消息传递替代
  • 在合成数据上精度不降反升,在真实数据集上达顶尖性能
  • 适合追求高效高表达力图神经网络的研究者和工程师

基于2-FWL测试的高阶图神经网络(HOGNN)通过建模2-节点和3-节点交互实现更强表达力,但计算成本高达$/mathcal{O}(n^3)$。现有高效方法通常以降低表达力为代价。本文提出 extbf{Co-Sparsify},一种基于连通性的稀疏化框架,可消除 extit{证明冗余}的计算,同时保留完整的2-FWL表达力。关键洞察是:仅在 extit{双连通分量}(任意两点间存在环的极大子图)内需要3-节点交互;其他区域可通过2-节点消息传递或全局读出完全捕获结构关系。Co-Sparsify将2-节点消息传递限制在连通分量内,3-节点交互仅作用于双连通分量,无需近似或采样即可移除计算。理论证明:经稀疏化的GNN与2-FWL测试表达力等价。实验显示,在PPGN上,Co-Sparsify在合成子结构计数任务中精度匹配或超越基线,并在真实世界基准ZINC、QM9上达到当前最优表现。本研究证明:高表达力与高效率并非互斥——通过拓扑引导的合理稀疏化,可实现兼具理论保证与高效性的强大图神经网络。

原文摘要 · Abstract (English)

Higher-order Graph Neural Networks (HOGNNs) based on the 2-FWL test achieve superior expressivity by modeling 2- and 3-node interactions, but at $\mathcal{O}(n^3)$ computational cost. However, this computational burden is typically mitigated by existing efficiency methods at the cost of reduced expressivity. We propose \textbf{Co-Sparsify}, a connectivity-aware sparsification framework that eliminates \emph{provably redundant} computations while preserving full 2-FWL expressive power. Our key insight is that 3-node interactions are expressively necessary only within \emph{biconnected components} -- maximal subgraphs where every pair of nodes lies on a cycle. Outside these components, structural relationships can be fully captured via 2-node message passing or global readout, rendering higher-order modeling unnecessary. Co-Sparsify restricts 2-node message passing to connected components and 3-node interactions to biconnected ones, removing computation without approximation or sampling. We prove that Co-Sparsified GNNs are as expressive as the 2-FWL test. Empirically, on PPGN, Co-Sparsify matches or exceeds accuracy on synthetic substructure counting tasks and achieves state-of-the-art performance on real-world benchmarks (ZINC, QM9). This study demonstrates that high expressivity and scalability are not mutually exclusive: principled, topology-guided sparsification enables powerful, efficient GNNs with theoretical guarantees.

图神经网络稀疏化表达力双连通

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