arXiv:2507.05533cs.LG2025-07被引 1

首次理论分析跳跃连接与图稀疏化对GNN泛化性能的影响

Theoretical Learning Performance of Graph Neural Networks: The Impact of Jumping Connections and Layer-wise Sparsification

  • 提出稀疏有效邻接矩阵A*,量化关键边对消息传递的作用
  • 证明稀疏化在保留A*关键边时能维持模型最优泛化精度
  • 发现第一层稀疏偏差比第二层更影响模型性能,适用于深层GNN研究

跳跃连接可缓解图卷积网络(GCN)的过平滑问题,而图稀疏化通过在邻域聚合中选取邻接矩阵的子矩阵来降低计算开销。尽管带有图稀疏化的GCN在各类应用中表现出良好的经验性能,但其泛化保证的理论理解仍不充分,现有分析往往忽略稀疏化或跳跃连接。本文首次对使用图稀疏化的跳跃连接GCN进行学习动态与泛化性分析。结果表明,模型的泛化精度可接近由所提出的稀疏有效邻接矩阵 $A^*$ 所定义的目标函数类中的最高可能精度。因此,只要 $A^*$ 保留支持有意义消息传播的关键边,稀疏化就能保持泛化性能。我们揭示了跳跃连接会带来分层的稀疏化需求:在两层隐藏的GCN中,第一层稀疏矩阵偏离 $A^*$ 的影响大于第二层。据我们所知,这是首次对跳跃连接在稀疏化需求中的作用进行理论刻画。我们在基准数据集上验证了理论结果在深层GCN中的有效性。

原文摘要 · Abstract (English)

Jumping connections enable Graph Convolutional Networks (GCNs) to overcome over-smoothing, while graph sparsification reduces computational demands by selecting a sub-matrix of the graph adjacency matrix during neighborhood aggregation. Learning GCNs with graph sparsification has shown empirical success across various applications, but a theoretical understanding of the generalization guarantees remains limited, with existing analyses ignoring either graph sparsification or jumping connections. This paper presents the first learning dynamics and generalization analysis of GCNs with jumping connections using graph sparsification. Our analysis demonstrates that the generalization accuracy of the learned model closely approximates the highest achievable accuracy within a broad class of target functions dependent on the proposed sparse effective adjacency matrix $A^*$. Thus, graph sparsification maintains generalization performance when $A^*$ preserves the essential edges that support meaningful message propagation. We reveal that jumping connections lead to different sparsification requirements across layers. In a two-hidden-layer GCN, the generalization is more affected by the sparsified matrix deviations from $A^*$ of the first layer than the second layer. To the best of our knowledge, this marks the first theoretical characterization of jumping connections' role in sparsification requirements. We validate our theoretical results on benchmark datasets in deep GCNs.

图神经网络稀疏化泛化性能跳跃连接

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