arXiv:2412.09805cs.LGcs.AI2024-12NeurIPS被引 4

提出新模型IGNN,让图神经网络在不同同质性图上都表现稳定。

Making Classic GNNs Strong Baselines Across Varying Homophily: A Smoothness-Generalization Perspective

  • 基于平滑性与泛化性的权衡原理,设计分层自适应消息传递机制。
  • 在30个基线对比中超越多数模型,尤其在异质图和高阶邻域表现优异。
  • 适合需要跨图类型通用性的研究者,尤其关注模型鲁棒性与可解释性。

图神经网络(GNN)虽取得显著成果,但常被认为受图结构同质性变化影响。近期实证研究发现,通过调参,同质性GNN可在不同同质性数据集上表现良好,但其理论基础与有效架构仍不清晰。本文从消息传递机制出发,揭示一种新的“平滑性-泛化困境”:增加传播层数会提高节点特征平滑度,却损害泛化能力。这一困境阻碍了在高阶同质邻域及所有异质邻域中的学习,因后者类别分布复杂,对噪声或稀疏性敏感。为此,我们提出前瞻型图神经网络(IGNN),基于三项简洁而有效的设计原则,通过实现各层级差异化泛化并自适应平滑,缓解该困境。在30个基线上的基准测试显示,IGNN表现出色,揭示部分同质性GNN具有显著通用性。代码与数据集见https://github.com/galogm/IGNN。

原文摘要 · Abstract (English)

Graph Neural Networks (GNNs) have achieved great success but are often considered to be challenged by varying levels of homophily in graphs. Recent \textit{empirical} studies have surprisingly shown that homophilic GNNs can perform well across datasets of different homophily levels with proper hyperparameter tuning, but the underlying theory and effective architectures remain unclear. To advance GNN universality across varying homophily, we theoretically revisit GNN message passing and uncover a novel \textit{smoothness-generalization dilemma}, where increasing hops inevitably enhances smoothness at the cost of generalization. This dilemma hinders learning in high-order homophilic neighborhoods and all heterophilic ones, where generalization is critical due to complex neighborhood class distributions that are sensitive to shifts induced by noise or sparsity. To address this, we introduce the Inceptive Graph Neural Network (IGNN) built on three simple yet effective design principles, which alleviate the dilemma by enabling distinct hop-wise generalization alongside improved overall generalization with adaptive smoothness. Benchmarking against 30 baselines demonstrates IGNN's superiority and reveals notable universality in certain homophilic GNN variants. Our code and datasets are available at \href{https://github.com/galogm/IGNN}{https://github.com/galogm/IGNN}.

图神经网络同质性泛化性模型设计

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