arXiv:2502.04591cs.LGcs.AI2025-02中稿 · ICLR被引 6

用特征表示的秩来更准确衡量图神经网络的过平滑问题

Are We Measuring Oversmoothing in Graph Neural Networks Correctly?

  • 以特征表示的数值秩替代传统相似性度量来检测过平滑
  • 实验显示秩下降与性能衰退高度一致,而能量指标常失效
  • 理论证明多种模型中特征秩会坍缩至1,适合研究深层图网络

过平滑是图神经网络(GNN)的核心挑战:随着层数增加,节点嵌入趋于相似,导致性能急剧下降。传统方法多使用邻接节点特征相似性度量(如Dirichlet能量)来量化过平滑,但这些指标存在关键缺陷,在真实场景中不可靠——仅对极深网络有效,而典型GNN在仅10层时性能即开始下降。本文提出以特征表示的数值或有效秩作为新度量。在多种图架构和数据集上进行大量实验表明,秩基度量始终能捕捉过平滑,而能量基度量常失效。特别地,我们发现秩的下降与性能退化紧密对应,即使能量指标保持不变。结合实验,本文还提供理论支持,说明为何类Dirichlet度量可能无法反映性能下降,并证明在一大类GNN架构中,特征表示的数值秩会坍缩至1。

原文摘要 · Abstract (English)

Oversmoothing is a fundamental challenge in graph neural networks (GNNs): as the number of layers increases, node embeddings become increasingly similar, and model performance drops sharply. Traditionally, oversmoothing has been quantified using metrics that measure the similarity of neighbouring node features, such as the Dirichlet energy. We argue that these metrics have critical limitations and fail to reliably capture oversmoothing in realistic scenarios. For instance, they provide meaningful insights only for very deep networks, while typical GNNs show a performance drop already with as few as 10 layers. As an alternative, we propose measuring oversmoothing by examining the numerical or effective rank of the feature representations. We provide extensive numerical evaluation across diverse graph architectures and datasets to show that rank-based metrics consistently capture oversmoothing, whereas energy-based metrics often fail. Notably, we reveal that drops in the rank align closely with performance degradation, even in scenarios where energy metrics remain unchanged. Along with the experimental evaluation, we provide theoretical support for this approach, clarifying why Dirichlet-like measures may fail to capture performance drop and proving that the numerical rank of feature representations collapses to one for a broad family of GNN architectures.

图神经网络过平滑特征秩评估指标

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