arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2203.09141cs.LG
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个性化和精细化的图表示学习

Graph Representation Learning with Individualization and Refinement

National University of Singapore(新加坡国立大学)

Mohammed Haroon Dupty, Wee Sun Lee

摘要:

图神经网络(GNN)已经成为图结构数据表示学习的重要模型。GNN遵循类似于图同构的一维Weisfeiler Lehman(1-WL)测试的消息传递方法,因此受到1-WL的区分能力的限制。在k元组节点上操作的更具表达力的高阶GNN需要增加计算资源,以便处理高阶张量。而不是WL的方法,在这项工作中,我们遵循的个性化和细化(IR),最实用的同构求解器遵循的技术的经典方法。个性化是指人工区分图中的节点,而细化是通过消息传递将此信息传播到其他节点。我们学习自适应地选择节点进行个性化,并在细化后聚合结果图,以帮助处理复杂性。我们的技术让我们学习更丰富的节点嵌入,同时保持计算复杂性可管理。从理论上讲,我们表明,我们的程序比1-WL测试更有表现力。实验表明,我们的方法在几个基准合成和真实数据集上的性能优于突出的1-WL GNN模型以及有竞争力的高阶基线。此外,我们的方法打开了新的大门,探索图形结构与个性化和细化的学习范式。

英文摘要:

Graph Neural Networks (GNNs) have emerged as prominent models for representation learning on graph structured data. GNNs follow an approach of message passing analogous to 1-dimensional Weisfeiler Lehman (1-WL) test for graph isomorphism and consequently are limited by the distinguishing power of 1-WL. More expressive higher-order GNNs which operate on k-tuples of nodes need increased computational resources in order to process higher-order tensors. Instead of the WL approach, in this work, we follow the classical approach of Individualization and Refinement (IR), a technique followed by most practical isomorphism solvers. Individualization refers to artificially distinguishing a node in the graph and refinement is the propagation of this information to other nodes through message passing. We learn to adaptively select nodes to individualize and to aggregate the resulting graphs after refinement to help handle the complexity. Our technique lets us learn richer node embeddings while keeping the computational complexity manageable. Theoretically, we show that our procedure is more expressive than the 1-WL test. Experiments show that our method outperforms prominent 1-WL GNN models as well as competitive higher-order baselines on several benchmark synthetic and real datasets. Furthermore, our method opens new doors for exploring the paradigm of learning on graph structures with individualization and refinement.

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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