An aligned subtree kernel for weighted graphs

In this paper, we develop a new entropic matching kernel for weighted graphs by aligning depth-based representations. We demonstrate that this kernel can be seen as an aligned subtree kernel that incorporates explicit subtree correspondences, and thus addresses the drawback of neglecting the relative locations between substructures that arises in the R-convolution kernels. Experiments on standard datasets demonstrate that our kernel can easily outperform state-of-the-art graph kernels in terms of classification accuracy

An Aligned Subtree Kernel for Weighted Graphs

In this paper, we develop a new entropic match- ing kernel for weighted graphs by aligning depth- based representations. We demonstrate that this kernel can be seen as an aligned subtree kernel that incorporates explicit subtree correspondences, and thus addresses the drawback of neglecting the relative locations between substructures that arises in the R-convolution kernels. Experiments on standard datasets demonstrate that our kernel can easily outperform state-of-the-art graph kernels in terms of classification accuracy

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

Forest Density Estimation

We study graph estimation and density estimation in high dimensions, using a family of density estimators based on forest structured undirected graphical models. For density estimation, we do not assume the true distribution corresponds to a forest; rather, we form kernel density estimates of the bivariate and univariate marginals, and apply Kruskal's algorithm to estimate the optimal forest on held out data. We prove an oracle inequality on the excess risk of the resulting estimator relative to the risk of the best forest. For graph estimation, we consider the problem of estimating forests with restricted tree sizes. We prove that finding a maximum weight spanning forest with restricted tree size is NP-hard, and develop an approximation algorithm for this problem. Viewing the tree size as a complexity parameter, we then select a forest using data splitting, and prove bounds on excess risk and structure selection consistency of the procedure. Experiments with simulated data and microarray data indicate that the methods are a practical alternative to Gaussian graphical models.Comment: Extended version of earlier paper titled "Tree density estimation

A transitive aligned Weisfeiler-Lehman subtree kernel

In this paper, we develop a new transitive aligned Weisfeiler-Lehman subtree kernel. This kernel not only overcomes the shortcoming of ignoring correspondence information between isomorphic substructures that arises in existing R-convolution kernels, but also guarantees the transitivity between the correspondence information that is not available for existing matching kernels. Our kernel outperforms state-of-the-art graph kernels in terms of classification accuracy on standard graph datasets