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arXiv 2208.03471cs.LGcs.ITmath.IT
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通过信息收缩和图扩展的镜头在GNN中进行过度挤压

Oversquashing in GNNs through the lens of information contraction and graph expansion

MPI MiS(马克斯·普朗克数学研究所);UCLA(加州大学洛杉矶分校);SJTU(上海交通大学);CMU(卡内基梅隆大学)

Pradeep Kr. Banerjee, Kedar Karhadkar, Yu Guang Wang, Uri Alon, Guido Montúfar

摘要:

在最近的工作中已经观察到,在消息传递图神经网络(GNNs)的信号传播的质量强烈影响其表达能力。特别是,对于依赖于远程交互的预测任务,节点特征的递归聚合可能导致称为“过度挤压”的不期望的现象。我们提出了一个框架,分析基于信息收缩的过度挤压。我们的分析是由可靠的计算模型,由于冯诺依曼,提供了一个新的见解oversquashing噪声计算图中的信号淬火。在此基础上,我们提出了一个图重布线算法,旨在减轻过度挤压。我们的算法采用了一个随机的局部边缘翻转原语的动机扩展图建设。我们比较了我们的算法与现有的基于曲率的非局部重布线策略的频谱扩展特性。合成实验表明,虽然我们的算法在一般情况下有一个较慢的扩展速度,它是整体计算成本较低,保持节点度准确,永远不会断开图。

英文摘要:

The quality of signal propagation in message-passing graph neural networks (GNNs) strongly influences their expressivity as has been observed in recent works. In particular, for prediction tasks relying on long-range interactions, recursive aggregation of node features can lead to an undesired phenomenon called "oversquashing". We present a framework for analyzing oversquashing based on information contraction. Our analysis is guided by a model of reliable computation due to von Neumann that lends a new insight into oversquashing as signal quenching in noisy computation graphs. Building on this, we propose a graph rewiring algorithm aimed at alleviating oversquashing. Our algorithm employs a random local edge flip primitive motivated by an expander graph construction. We compare the spectral expansion properties of our algorithm with that of an existing curvature-based non-local rewiring strategy. Synthetic experiments show that while our algorithm in general has a slower rate of expansion, it is overall computationally cheaper, preserves the node degrees exactly and never disconnects the graph.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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