arXiv:2601.19449cs.LG2026-01中稿 · ICML被引 2

不用训练的图特征聚合,竟可媲美顶级图神经网络

Fixed Aggregation Features Can Rival GNNs

  • 用固定聚合方式将图任务转为表格问题,免去训练
  • 14个基准中12项超越或持平最先进GNN模型
  • 适合追求可解释性与快速部署的工程应用

图神经网络(GNNs)普遍被认为通过可训练的邻域聚合在节点表示学习中表现优异。本文提出无需训练的固定聚合特征(FAFs),将图学习任务转化为表格问题,使传统表格方法得以直接应用,具备良好可解释性与灵活部署能力。在14个基准测试中,经调优的多层感知机在FAFs上表现媲美甚至超过当前最先进的GNN与图变换器,在12项任务中仅使用均值聚合即达此效果。唯一例外是罗马帝国和扫雷数据集,通常需极深的GNN。我们从Kolmogorov-Arnold表示理论出发,解释非可训练聚合的可行性,并讨论均值聚合何时足够。研究呼吁:(i) 设计更丰富的基准以检验多样聚合能力;(ii) 将强表格基线作为标准;(iii) 推动表格模型用于图数据,以揭示新洞察。

原文摘要 · Abstract (English)

Graph neural networks (GNNs) are widely believed to excel at node representation learning through trainable neighborhood aggregations. We challenge this view by introducing Fixed Aggregation Features (FAFs), a training-free approach that transforms graph learning tasks into tabular problems. This simple shift enables the use of well-established tabular methods, offering strong interpretability and the flexibility to deploy diverse classifiers. Across 14 benchmarks, well-tuned multilayer perceptrons trained on FAFs rival or outperform state-of-the-art GNNs and graph transformers on 12 tasks -- often using only mean aggregation. The only exceptions are the Roman Empire and Minesweeper datasets, which typically require unusually deep GNNs. To explain the theoretical possibility of non-trainable aggregations, we connect our findings to Kolmogorov-Arnold representations and discuss when mean aggregation can be sufficient. In conclusion, our results call for (i) richer benchmarks benefiting from learning diverse neighborhood aggregations, (ii) strong tabular baselines as standard, and (iii) employing and advancing tabular models for graph data to gain new insights into related tasks.

图神经网络特征聚合可解释性

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