构建大尺度图数据集,量化图神经网络的长程依赖能力
Towards Quantifying Long-Range Interactions in Graph Machine Learning: a Large Graph Dataset and a Measurement
- 设计真实城市道路网络的大规模图数据集
- 提出基于雅可比矩阵的长程依赖量化方法
- 适合研究图神经网络长程建模的学者
长程依赖对图表示学习至关重要,但现有数据集多聚焦于小规模图,难以揭示长程交互。当前评估主要对比全局注意力与局部邻域聚合模型,缺乏对长程依赖的直接测量。本文提出 $ exttt{City-Networks}$,一个基于真实城市道路网络构建的大规模图数据集,包含超过 $10^5$ 个节点且直径显著大于现有基准,天然具备长程信息特征。通过基于局部节点偏心率标注,分类任务强制要求远距离节点信息。同时,提出一种基于远处邻居雅可比矩阵的通用度量方法,实现对长程依赖的合理量化。理论分析支持数据集设计与度量方法,聚焦过平滑与影响得分稀释问题,为图神经网络中长程交互研究提供坚实基础。
原文摘要 · Abstract (English)
Long-range dependencies are critical for effective graph representation learning, yet most existing datasets focus on small graphs tailored to inductive tasks, offering limited insight into long-range interactions. Current evaluations primarily compare models employing global attention (e.g., graph transformers) with those using local neighborhood aggregation (e.g., message-passing neural networks) without a direct measurement of long-range dependency. In this work, we introduce $\texttt{City-Networks}$, a novel large-scale transductive learning dataset derived from real-world city road networks. This dataset features graphs with over $10^5$ nodes and significantly larger diameters than those in existing benchmarks, naturally embodying long-range information. We annotate the graphs based on local node eccentricities, ensuring that the classification task inherently requires information from distant nodes. Furthermore, we propose a generic measurement based on the Jacobians of neighbors from distant hops, offering a principled quantification of long-range dependencies. Finally, we provide theoretical justifications for both our dataset design and the proposed measurement, particularly by focusing on over-smoothing and influence score dilution, which establishes a robust foundation for further exploration of long-range interactions in graph neural networks.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。