arXiv:2410.23686cs.LG2024-10NeurIPS被引 18

提出动态消息传递机制,让图神经网络通信更灵活高效。

Towards Dynamic Message Passing on Graphs

  • 通过可学习伪节点构建动态通信路径,实现线性复杂度的消息传递。
  • 在18个基准上超越主流GNN,参数量显著减少且支持大规模图计算。
  • 适合需要高效、可扩展图模型的研究者和工程应用。

消息传递在图神经网络中对特征学习至关重要,但过度依赖输入拓扑会降低其效果并限制网络能力。现有方法或存在消息传递瓶颈,或计算开销过高。本文提出一种新型动态消息传递机制,将图节点与可学习的伪节点投影至同一空间,利用节点间空间关系的动态变化,实现灵活的消息传递路径构建。通过伪节点中介,图节点可在保持线性复杂度的前提下进行中间通信。基于此机制,我们构建了名为 $\mathtt{\mathbf{N^2}}$ 的GNN模型,采用单个循环层递归生成节点位移并优化动态路径。在18个基准上的评估表明,$\mathtt{\mathbf{N^2}}$ 性能优越,成功应用于大规模图任务,且通过共享循环层显著减少参数量。

原文摘要 · Abstract (English)

Message passing plays a vital role in graph neural networks (GNNs) for effective feature learning. However, the over-reliance on input topology diminishes the efficacy of message passing and restricts the ability of GNNs. Despite efforts to mitigate the reliance, existing study encounters message-passing bottlenecks or high computational expense problems, which invokes the demands for flexible message passing with low complexity. In this paper, we propose a novel dynamic message-passing mechanism for GNNs. It projects graph nodes and learnable pseudo nodes into a common space with measurable spatial relations between them. With nodes moving in the space, their evolving relations facilitate flexible pathway construction for a dynamic message-passing process. Associating pseudo nodes to input graphs with their measured relations, graph nodes can communicate with each other intermediately through pseudo nodes under linear complexity. We further develop a GNN model named $\mathtt{\mathbf{N^2}}$ based on our dynamic message-passing mechanism. $\mathtt{\mathbf{N^2}}$ employs a single recurrent layer to recursively generate the displacements of nodes and construct optimal dynamic pathways. Evaluation on eighteen benchmarks demonstrates the superior performance of $\mathtt{\mathbf{N^2}}$ over popular GNNs. $\mathtt{\mathbf{N^2}}$ successfully scales to large-scale benchmarks and requires significantly fewer parameters for graph classification with the shared recurrent layer.

图神经网络动态消息低复杂度可扩展

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