A tree-based kernel for graphs with continuous attributes

The availability of graph data with node attributes that can be either discrete or real-valued is constantly increasing. While existing kernel methods are effective techniques for dealing with graphs having discrete node labels, their adaptation to non-discrete or continuous node attributes has been limited, mainly for computational issues. Recently, a few kernels especially tailored for this domain, and that trade predictive performance for computational efficiency, have been proposed. In this paper, we propose a graph kernel for complex and continuous nodes' attributes, whose features are tree structures extracted from specific graph visits. The kernel manages to keep the same complexity of state-of-the-art kernels while implicitly using a larger feature space. We further present an approximated variant of the kernel which reduces its complexity significantly. Experimental results obtained on six real-world datasets show that the kernel is the best performing one on most of them. Moreover, in most cases the approximated version reaches comparable performances to current state-of-the-art kernels in terms of classification accuracy while greatly shortening the running times.Comment: This work has been submitted to the IEEE Transactions on Neural Networks and Learning Systems for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessibl

Extending local features with contextual information in graph kernels

Graph kernels are usually defined in terms of simpler kernels over local substructures of the original graphs. Different kernels consider different types of substructures. However, in some cases they have similar predictive performances, probably because the substructures can be interpreted as approximations of the subgraphs they induce. In this paper, we propose to associate to each feature a piece of information about the context in which the feature appears in the graph. A substructure appearing in two different graphs will match only if it appears with the same context in both graphs. We propose a kernel based on this idea that considers trees as substructures, and where the contexts are features too. The kernel is inspired from the framework in [6], even if it is not part of it. We give an efficient algorithm for computing the kernel and show promising results on real-world graph classification datasets.Comment: To appear in ICONIP 201

A Survey on Graph Kernels

Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We describe and categorize graph kernels based on properties inherent to their design, such as the nature of their extracted graph features, their method of computation and their applicability to problems in practice. In an extensive experimental evaluation, we study the classification accuracy of a large suite of graph kernels on established benchmarks as well as new datasets. We compare the performance of popular kernels with several baseline methods and study the effect of applying a Gaussian RBF kernel to the metric induced by a graph kernel. In doing so, we find that simple baselines become competitive after this transformation on some datasets. Moreover, we study the extent to which existing graph kernels agree in their predictions (and prediction errors) and obtain a data-driven categorization of kernels as result. Finally, based on our experimental results, we derive a practitioner's guide to kernel-based graph classification

Kernel Graph Convolutional Neural Networks

Graph kernels have been successfully applied to many graph classification problems. Typically, a kernel is first designed, and then an SVM classifier is trained based on the features defined implicitly by this kernel. This two-stage approach decouples data representation from learning, which is suboptimal. On the other hand, Convolutional Neural Networks (CNNs) have the capability to learn their own features directly from the raw data during training. Unfortunately, they cannot handle irregular data such as graphs. We address this challenge by using graph kernels to embed meaningful local neighborhoods of the graphs in a continuous vector space. A set of filters is then convolved with these patches, pooled, and the output is then passed to a feedforward network. With limited parameter tuning, our approach outperforms strong baselines on 7 out of 10 benchmark datasets.Comment: Accepted at ICANN '1

An Empirical Study on Budget-Aware Online Kernel Algorithms for Streams of Graphs

Kernel methods are considered an effective technique for on-line learning. Many approaches have been developed for compactly representing the dual solution of a kernel method when the problem imposes memory constraints. However, in literature no work is specifically tailored to streams of graphs. Motivated by the fact that the size of the feature space representation of many state-of-the-art graph kernels is relatively small and thus it is explicitly computable, we study whether executing kernel algorithms in the feature space can be more effective than the classical dual approach. We study three different algorithms and various strategies for managing the budget. Efficiency and efficacy of the proposed approaches are experimentally assessed on relatively large graph streams exhibiting concept drift. It turns out that, when strict memory budget constraints have to be enforced, working in feature space, given the current state of the art on graph kernels, is more than a viable alternative to dual approaches, both in terms of speed and classification performance.Comment: Author's version of the manuscript, to appear in Neurocomputing (ELSEVIER