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arXiv 2109.05641cs.LGcs.SI
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异质性是图神经网络进行节点分类的真正噩梦吗?

Is Heterophily A Real Nightmare For Graph Neural Networks To Do Node Classification?

McGill University(麦吉尔大学);Mila;DeepMind

Sitao Luan, Chenqing Hua, Qincheng Lu, Jiaqi Zhu, Mingde Zhao, Shuyuan Zhang, Xiao-Wen Chang, Doina Precup

摘要:

图神经网络(GNNs)是对基本神经网络(NN)的扩展,它利用基于关系归纳偏差(homophily假设)的图结构。虽然GNN被认为在现实世界的任务中优于NN,但GNN相对于图不可知NN的性能优势似乎并不令人满意。异质性被认为是一个主要的原因,已经提出了许多工作来解决它。在本文中,我们首先表明,并不是所有的异质性的情况下是有害的GNNs与聚集操作。然后,我们提出了基于相似性矩阵的新度量,该矩阵考虑了图结构和输入特征对GNN的影响。通过对合成图的测试,证明了该度量方法优于常用的同质性度量方法。从度量和观察,我们发现一些有害的异质性的情况下,可以通过多元化操作来解决。有了这个事实和滤波器组的知识,我们提出了自适应通道混合(ACM)框架,以自适应地利用每个GNN层中的聚合,多样化和身份通道来解决有害的异质性。我们用10个真实世界的节点分类任务来验证ACM增强的基线。它们始终实现显着的性能增益,并在大多数任务上超过最先进的GNN,而不会产生显着的计算负担。

英文摘要:

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using the graph structures based on the relational inductive bias (homophily assumption). Though GNNs are believed to outperform NNs in real-world tasks, performance advantages of GNNs over graph-agnostic NNs seem not generally satisfactory. Heterophily has been considered as a main cause and numerous works have been put forward to address it. In this paper, we first show that not all cases of heterophily are harmful for GNNs with aggregation operation. Then, we propose new metrics based on a similarity matrix which considers the influence of both graph structure and input features on GNNs. The metrics demonstrate advantages over the commonly used homophily metrics by tests on synthetic graphs. From the metrics and the observations, we find some cases of harmful heterophily can be addressed by diversification operation. With this fact and knowledge of filterbanks, we propose the Adaptive Channel Mixing (ACM) framework to adaptively exploit aggregation, diversification and identity channels in each GNN layer to address harmful heterophily. We validate the ACM-augmented baselines with 10 real-world node classification tasks. They consistently achieve significant performance gain and exceed the state-of-the-art GNNs on most of the tasks without incurring significant computational burden.

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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