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基序图神经网络

Motif Graph Neural Network.

作者信息

Chen Xuexin, Cai Ruichu, Fang Yuan, Wu Min, Li Zijian, Hao Zhifeng

出版信息

IEEE Trans Neural Netw Learn Syst. 2024 Oct;35(10):14833-14847. doi: 10.1109/TNNLS.2023.3281716. Epub 2024 Oct 7.

DOI:10.1109/TNNLS.2023.3281716
PMID:37335782
Abstract

Graphs can model complicated interactions between entities, which naturally emerge in many important applications. These applications can often be cast into standard graph learning tasks, in which a crucial step is to learn low-dimensional graph representations. Graph neural networks (GNNs) are currently the most popular model in graph embedding approaches. However, standard GNNs in the neighborhood aggregation paradigm suffer from limited discriminative power in distinguishing high-order graph structures as opposed to low-order structures. To capture high-order structures, researchers have resorted to motifs and developed motif-based GNNs. However, the existing motif-based GNNs still often suffer from less discriminative power on high-order structures. To overcome the above limitations, we propose motif GNN (MGNN), a novel framework to better capture high-order structures, hinging on our proposed motif redundancy minimization operator and injective motif combination. First, MGNN produces a set of node representations with respect to each motif. The next phase is our proposed redundancy minimization among motifs which compares the motifs with each other and distills the features unique to each motif. Finally, MGNN performs the updating of node representations by combining multiple representations from different motifs. In particular, to enhance the discriminative power, MGNN uses an injective function to combine the representations with respect to different motifs. We further show that our proposed architecture increases the expressive power of GNNs with a theoretical analysis. We demonstrate that MGNN outperforms state-of-the-art methods on seven public benchmarks on both the node classification and graph classification tasks.

摘要

图可以对实体之间复杂的相互作用进行建模,这些相互作用在许多重要应用中自然出现。这些应用通常可以转化为标准的图学习任务,其中关键步骤是学习低维图表示。图神经网络(GNN)是目前图嵌入方法中最流行的模型。然而,邻域聚合范式中的标准GNN在区分高阶图结构与低阶结构时,判别能力有限。为了捕捉高阶结构,研究人员求助于模式并开发了基于模式的GNN。然而,现有的基于模式的GNN在高阶结构上仍然常常缺乏判别能力。为了克服上述限制,我们提出了模式GNN(MGNN),这是一个新颖的框架,通过我们提出的模式冗余最小化算子和单射模式组合,能更好地捕捉高阶结构。首先,MGNN针对每个模式生成一组节点表示。下一阶段是我们提出的模式间冗余最小化,它将模式相互比较并提炼每个模式独有的特征。最后,MGNN通过组合来自不同模式的多个表示来执行节点表示的更新。特别是,为了增强判别能力,MGNN使用一个单射函数来组合不同模式的表示。我们通过理论分析进一步表明,我们提出的架构增加了GNN的表达能力。我们证明,在节点分类和图分类任务的七个公共基准上,MGNN优于现有方法。

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