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arXiv 1905.04579cs.LGcs.SIstat.ML
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强大的图形神经网络是必要的吗?图分类问题剖析

Are Powerful Graph Neural Nets Necessary? A Dissection on Graph Classification

University of California, Los Angeles(加利福尼亚大学洛杉矶分校);Zhejiang University(浙江大学)

Ting Chen, Song Bian, Yizhou Sun

摘要:

图神经网络(GNN)受到越来越多的关注,部分原因是它们在许多节点和图分类任务中具有优异的性能。然而,人们对他们正在学习的内容以及所学习的图函数的复杂程度缺乏了解。在这项工作中,我们提出了将GNN的图分类分解为两个部分:1)图过滤,其中执行基于图的邻居聚合,以及2)集合函数,其中组成一组隐藏节点特征用于预测。为了研究这两部分的重要性,我们建议将它们分别线性化。我们首先线性化的图过滤功能,产生的图形特征网络(GFN),这是一个简单的轻量级神经网络上定义的\textit{set}的图形增强功能。GFN的集函数的进一步线性化导致图线性网络(GLN),这是一个线性函数。根据经验,我们对常见的图分类基准进行评估。令我们惊讶的是,我们发现,尽管简化了,GFN可以匹配或超过最近提出的GNN产生的最佳精度(计算成本的一小部分),而GLN表现明显不佳。我们的研究结果表明,非线性集函数的重要性,并建议,线性图过滤与非线性集函数是一个有效的和强大的计划建模现有的图分类基准。

英文摘要:

Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated the learned graph functions are. In this work, we propose a dissection of GNNs on graph classification into two parts: 1) the graph filtering, where graph-based neighbor aggregations are performed, and 2) the set function, where a set of hidden node features are composed for prediction. To study the importance of both parts, we propose to linearize them separately. We first linearize the graph filtering function, resulting Graph Feature Network (GFN), which is a simple lightweight neural net defined on a \textit{set} of graph augmented features. Further linearization of GFN's set function results in Graph Linear Network (GLN), which is a linear function. Empirically we perform evaluations on common graph classification benchmarks. To our surprise, we find that, despite the simplification, GFN could match or exceed the best accuracies produced by recently proposed GNNs (with a fraction of computation cost), while GLN underperforms significantly. Our results demonstrate the importance of non-linear set function, and suggest that linear graph filtering with non-linear set function is an efficient and powerful scheme for modeling existing graph classification benchmarks.

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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