论文标题

亲和力感知的图形网络

Affinity-Aware Graph Networks

论文作者

Velingker, Ameya, Sinop, Ali Kemal, Ktena, Ira, Veličković, Petar, Gollapudi, Sreenivas

论文摘要

图形神经网络(GNN)已成为一种用于学习关系数据的强大技术。由于他们执行的消息传递步骤数量相对有限,因此受到较小的接收场,人们对通过结合基础图的结构方面来提高其表现力引起了极大的兴趣。在本文中,我们探讨了亲和力措施作为图形神经网络中的特征,特别是由随机步行引起的措施,包括有效的阻力,击球和通勤时间。我们根据这些功能提出消息传递网络,并在各种节点和图形属性预测任务上评估它们的性能。我们的体系结构具有较低的计算复杂性,而我们的功能对于基础图的排列不变。我们计算的措施使网络可以利用图表的连接属性,从而使我们能够超过相关的基准,用于各种任务,通常会更少消息传递步骤。在撰写本文时,我们在OGB-LSC-PCQM4MV1的最大公共图形回归数据集之一(OGB-LSC-PCQM4MV1)中获得了MAE。

Graph Neural Networks (GNNs) have emerged as a powerful technique for learning on relational data. Owing to the relatively limited number of message passing steps they perform -- and hence a smaller receptive field -- there has been significant interest in improving their expressivity by incorporating structural aspects of the underlying graph. In this paper, we explore the use of affinity measures as features in graph neural networks, in particular measures arising from random walks, including effective resistance, hitting and commute times. We propose message passing networks based on these features and evaluate their performance on a variety of node and graph property prediction tasks. Our architecture has lower computational complexity, while our features are invariant to the permutations of the underlying graph. The measures we compute allow the network to exploit the connectivity properties of the graph, thereby allowing us to outperform relevant benchmarks for a wide variety of tasks, often with significantly fewer message passing steps. On one of the largest publicly available graph regression datasets, OGB-LSC-PCQM4Mv1, we obtain the best known single-model validation MAE at the time of writing.

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