用行走中心性高效采样子图,让图神经网络更快更准
Balancing Efficiency and Expressiveness: Subgraph GNNs with Walk-Based Centrality
- 基于行走中心性筛选关键子图,大幅缩小处理规模
- 在保持表达力的同时,计算量降至原有方法的几分之一
- 适合需要高效处理超大图的科研与工程应用
子图GNN通过处理子图袋克服了传统图神经网络的表达力局限。然而,其计算复杂度高,因子图袋大小随节点数线性增长,难以应用于大规模图。本文提出HyMN方法,利用基于行走的中心性度量,仅采样少量相关子图,显著减少袋大小。通过与扰动分析的联系,证明该中心性采样具有理论优势,并进一步证明这些中心性可作为结构编码增强区分能力。大量实验表明,HyMN在表达力、效率和下游性能间实现良好平衡,使子图GNN能应用于更大规模图。相比更复杂的采样方法,本方法性能更优或相当,且耗时仅为后者的几分之一。
原文摘要 · Abstract (English)
Subgraph GNNs have emerged as promising architectures that overcome the expressiveness limitations of Graph Neural Networks (GNNs) by processing bags of subgraphs. Despite their compelling empirical performance, these methods are afflicted by a high computational complexity: they process bags whose size grows linearly in the number of nodes, hindering their applicability to larger graphs. In this work, we propose an effective and easy-to-implement approach to dramatically alleviate the computational cost of Subgraph GNNs and unleash broader applications thereof. Our method, dubbed HyMN, leverages walk-based centrality measures to sample a small number of relevant subgraphs and drastically reduce the bag size. By drawing a connection to perturbation analysis, we highlight the strength of the proposed centrality-based subgraph sampling, and further prove that these walk-based centralities can be additionally used as Structural Encodings for improved discriminative power. A comprehensive set of experimental results demonstrates that HyMN provides an effective synthesis of expressiveness, efficiency, and downstream performance, unlocking the application of Subgraph GNNs to dramatically larger graphs. Not only does our method outperform more sophisticated subgraph sampling approaches, it is also competitive, and sometimes better, than other state-of-the-art approaches for a fraction of their runtime.
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