arXiv:2410.01802cs.LGcs.CG2024-10被引 3

用节点邻域与属性的相似性,传统机器学习模型在链接预测上超越了先进图神经网络。

PROXI: Challenging the GNNs for Link Prediction

  • 基于节点对在图和属性空间中的邻近度构建特征,用传统机器学习模型进行链接预测。
  • 在异质与同质网络、大小数据集上,传统模型性能均优于主流GNN,甚至在OGB数据集上更优。
  • 可作为通用增强模块,显著提升现有GNN在链接预测任务上的表现,适合关注模型改进的研究者。

过去十年,图神经网络(GNN)重塑了图表示学习。在广泛采用的消息传递GNN框架中,节点通过迭代聚合邻居信息来优化自身表示。尽管GNN在多个领域表现出色,但近期理论研究对其能力提出了质疑。当前方法依赖统一的节点表示处理各类图任务,但这种‘一刀切’策略对多样化任务并不理想。为此,我们通过实证测试比较了主流GNN模型与更传统直接的方法在链接预测任务中的表现。提出新模型PROXI,利用节点对在图空间和属性空间中的邻近度信息,发现仅使用标准机器学习模型,在这些邻近度特征基础上即可实现竞争力甚至超越前沿GNN模型的表现。该结果在同质与异质网络、小规模与大规模基准数据集(包括OGB)上均成立。此外,将PROXI融入传统GNN能显著提升其链接预测性能。实验结果验证了先前的理论观点,表明当前GNN模型仍有巨大优化空间以发挥其潜力。

原文摘要 · Abstract (English)

Over the past decade, Graph Neural Networks (GNNs) have transformed graph representation learning. In the widely adopted message-passing GNN framework, nodes refine their representations by aggregating information from neighboring nodes iteratively. While GNNs excel in various domains, recent theoretical studies have raised concerns about their capabilities. GNNs aim to address various graph-related tasks by utilizing such node representations, however, this one-size-fits-all approach proves suboptimal for diverse tasks. Motivated by these observations, we conduct empirical tests to compare the performance of current GNN models with more conventional and direct methods in link prediction tasks. Introducing our model, PROXI, which leverages proximity information of node pairs in both graph and attribute spaces, we find that standard machine learning (ML) models perform competitively, even outperforming cutting-edge GNN models when applied to these proximity metrics derived from node neighborhoods and attributes. This holds true across both homophilic and heterophilic networks, as well as small and large benchmark datasets, including those from the Open Graph Benchmark (OGB). Moreover, we show that augmenting traditional GNNs with PROXI significantly boosts their link prediction performance. Our empirical findings corroborate the previously mentioned theoretical observations and imply that there exists ample room for enhancement in current GNN models to reach their potential.

图神经网络链接预测机器学习OGB

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