arXiv:2412.18125cs.AI2024-12

通过消除子图计算冗余,实现子图GNN的精确加速。

Exact Acceleration of Subgraph Graph Neural Networks by Eliminating Computation Redundancy

  • 用更小的邻域网络替代原大子图,统一结构提升效率。
  • 存储减少29.0%至84.5%,训练速度最快提升1.66倍。
  • 适合追求高效且不牺牲表达能力的图神经网络研究者。

图神经网络(GNN)已成为图任务的主流框架。近年来,许多研究提出在每个图的大量子图上使用图卷积,即子图图神经网络(subgraph GNNs),以增强区分非同构图的能力。为最大化表达力,子图GNN通常要求子图与原图大小相同。然而,由于子图数量庞大且体积大,导致训练数据激增,带来存储和计算效率低下问题。本文提出Ego-Nets-Fit-All(ENFA)模型,统一采用更小的邻域网络作为子图,在保证输出与全图子图完全一致的前提下,显著提升存储与计算效率。其核心是识别并消除子图间的冗余计算——例如,节点 $v_i$ 可能出现在多个子图中,但距离各子图中心较远(子图间不对称部分),因此其前几轮消息传递可在原图中统一计算一次,而非在每个子图中重复进行。该策略实现了对子图GNN的精确加速,区别于以往采样方法常伴随性能损失。在多个数据集上的实验表明,相比传统子图GNN,ENFA可减少29.0%至84.5%的存储空间,并将训练效率提升最多1.66倍。

原文摘要 · Abstract (English)

Graph neural networks (GNNs) have become a prevalent framework for graph tasks. Many recent studies have proposed the use of graph convolution methods over the numerous subgraphs of each graph, a concept known as subgraph graph neural networks (subgraph GNNs), to enhance GNNs' ability to distinguish non-isomorphic graphs. To maximize the expressiveness, subgraph GNNs often require each subgraph to have equal size to the original graph. Despite their impressive performance, subgraph GNNs face challenges due to the vast number and large size of subgraphs which lead to a surge in training data, resulting in both storage and computational inefficiencies. In response to this problem, this paper introduces Ego-Nets-Fit-All (ENFA), a model that uniformly takes the smaller ego nets as subgraphs, thereby providing greater storage and computational efficiency, while at the same time guarantees identical outputs to the original subgraph GNNs even taking the whole graph as subgraphs. The key is to identify and eliminate the redundant computation among subgraphs. For example, a node $v_i$ may appear in multiple subgraphs but is far away from all of their centers (the unsymmetric part between subgraphs). Therefore, its first few rounds of message passing within each subgraph can be computed once in the original graph instead of being computed multiple times within each subgraph. Such strategy enables our ENFA to accelerate subgraph GNNs in an exact way, unlike previous sampling approaches that often lose the performance. Extensive experiments across various datasets reveal that compared with the conventional subgraph GNNs, ENFA can reduce storage space by 29.0% to 84.5% and improve training efficiency by up to 1.66x.

图神经网络子图学习计算优化

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