通过角色感知重连提升图神经网络长程依赖建模能力
RAwR: Role-Aware Rewiring via Approximate Equitable Partition

- 基于等价划分构造商图,让结构角色相同的节点加速通信
- 在多种数据集上达到当前最优性能,尤其在长距离依赖任务中显著提升
- 提供可调的简化机制,适用于对效率和效果有不同需求的场景
尽管图神经网络在依赖局部邻域信息的节点分类任务中表现优异,但在需要长程交互的任务中性能往往下降。这主要归因于过度挤压现象,即结构瓶颈限制了信号在拓扑中的传播。为此,本文提出RAwR,一种计算高效的重连框架,通过引入由等价划分得到的商图来增强输入图。该方法使具有相同结构角色的节点(由Weisfeiler-Leman图着色识别)间通信加速,从而降低系统的总有效电阻。此外,通过采用近似等价划分定义,RAwR可控制商图的压缩程度,在最简状态下还原传统的主节点重连技术。在涵盖同质性、异质性及合成长程数据集的多样化基准测试中,RAwR均取得领先表现。进一步通过线性GNN的师生模型分析,揭示了基于角色重连的理论基础,并提出谱角色提升(SRL)指标,用于识别最大化预测性能的最优近似等价划分。
原文摘要 · Abstract (English)
While Graph Neural Networks (GNNs) have demonstrated significant efficacy in node classification tasks, where predictions rely on local neighborhood information, the performance of GNNs often drops when prediction tasks depend on long-range interactions. These limitations are attributed to phenomena such as oversquashing, where structural bottlenecks restrict signal propagation across the network topology. To address this challenge, we introduce RAwR, a computationally efficient rewiring framework that augments the input graph with a quotient graph derived from equitable partitions. This approach facilitates accelerated communication between nodes that share identical structural roles, as identified by the Weisfeiler-Leman graph coloring, and thereby reduces the total effective resistance of the system. Furthermore, by employing an approximate definition of the equitable partition, RAwR enables a controllable reduction of the quotient graph, which, in its most condensed state, recovers the conventional Master Node rewiring technique. Empirical evaluations across a diverse suite of benchmarks -- including homophilic, heterophilic, and synthetic long-range datasets -- demonstrate that RAwR achieves state-of-the-art results. Our contribution is further supported by an analytical investigation using a teacher-student model of linear GNNs, which elucidates the theoretical foundations of role-based rewiring. This analysis leads to the formulation of Spectral Role Lift (SRL), a metric designed to identify the optimal approximate equitable partition for maximizing predictive performance.
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