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Rethinking Kernel Methods for Node Representation Learning on Graphs

机译:重新思考图形节点表示学习的内核方法

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Graph kernels are kernel methods measuring graph similarity and serve as a standard tool for graph classification. However, the use of kernel methods for node classification, which is a related problem to graph representation learning, is still ill-posed and the state-of-the-art methods are heavily based on heuristics. Here, we present a novel theoretical kernel-based framework for node classification that can bridge the gap between these two representation learning problems on graphs. Our approach is motivated by graph kernel methodology but extended to learn the node representations capturing the structural information in a graph. We theoretically show that our formulation is as powerful as any positive semidefinite kernels. To efficiently learn the kernel, we propose a novel mechanism for node feature aggregation and a data-driven similarity metric employed during the training phase. More importantly, our framework is flexible and complementary to other graph-based deep learning models, e.g., Graph Convolutional Networks (GCNs). We empirically evaluate our approach on a number of standard node classification benchmarks, and demonstrate that our model sets the new state of the art. The source code is publicly available at https://github.com/bluer555/KernelGCN.
机译:图形内核是测量图相似性的内核方法,并用作图形分类的标准工具。然而,使用内核分类的内核方法,这是针对图形表示学习的相关问题,仍然没有被赋予,并且最先进的方法基于启发式。在这里,我们提出了一种基于新的理论内核分类框架,可以弥合图形上这两个表示学习问题之间的差距。我们的方法是由图形内核方法的激励,但扩展以了解捕获图中结构信息的节点表示。理论上我们表明我们的配方与任何正面半纤维内核一样强大。为了有效地学习内核,我们提出了一种用于节点特征聚合的新机制和在训练阶段期间使用的数据驱动相似度度量。更重要的是,我们的框架是灵活性,并互补地与其他基于图形的深度学习模型,例如图形卷积网络(GCN)。我们在凭证上评估了我们在许多标准节点分类基准上的方法,并证明我们的模型设置了新的最新状态。源代码在https://github.com/bluer555/kernelgcn上公开使用。

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