论文标题
扩展图的传播
Expander Graph Propagation
论文作者
论文摘要
已知在全图分类或回归任务上部署图形神经网络(GNN)是具有挑战性的:它通常需要计算节点特征,这些特征既注意其附近的本地交互也是图形结构的全局背景。围绕该空间的GNN体系结构需要避免病理行为,例如瓶颈和过度量子,同时理想地具有线性的时间和空间复杂性要求。在这项工作中,我们提出了一种基于扩展信息图表的传播信息的优雅方法。我们利用一种有效的方法来构建给定尺寸的扩展器图,并使用此洞察力提出EGP模型。我们表明,EGP能够解决上述所有问题,同时需要最少的努力来设置,并提供其在开放图基准中相关的图形分类数据集和基线的经验实用性的证据。重要的是,使用扩展器图作为消息传递的模板必然会引起负曲率。尽管鉴于最近相关的过度量化工作,这似乎是违反直觉的,但从理论上讲,我们证明可能需要负弯曲的边缘以获得无瓶颈传递的可扩展消息传递。据我们所知,这是图表表示学习中以前未研究的结果,我们认为我们的分析为一种新颖的可扩展方法铺平了道路,以抵抗GNN中的过度争夺。
Deploying graph neural networks (GNNs) on whole-graph classification or regression tasks is known to be challenging: it often requires computing node features that are mindful of both local interactions in their neighbourhood and the global context of the graph structure. GNN architectures that navigate this space need to avoid pathological behaviours, such as bottlenecks and oversquashing, while ideally having linear time and space complexity requirements. In this work, we propose an elegant approach based on propagating information over expander graphs. We leverage an efficient method for constructing expander graphs of a given size, and use this insight to propose the EGP model. We show that EGP is able to address all of the above concerns, while requiring minimal effort to set up, and provide evidence of its empirical utility on relevant graph classification datasets and baselines in the Open Graph Benchmark. Importantly, using expander graphs as a template for message passing necessarily gives rise to negative curvature. While this appears to be counterintuitive in light of recent related work on oversquashing, we theoretically demonstrate that negatively curved edges are likely to be required to obtain scalable message passing without bottlenecks. To the best of our knowledge, this is a previously unstudied result in the context of graph representation learning, and we believe our analysis paves the way to a novel class of scalable methods to counter oversquashing in GNNs.