70,847 research outputs found
Graph Kernels
We present a unified framework to study graph kernels, special cases of which include the random
walk (GƤrtner et al., 2003; Borgwardt et al., 2005) and marginalized (Kashima et al., 2003, 2004;
MahƩ et al., 2004) graph kernels. Through reduction to a Sylvester equation we improve the time
complexity of kernel computation between unlabeled graphs with n vertices from O(n^6) to O(n^3).
We find a spectral decomposition approach even more efficient when computing entire kernel matrices.
For labeled graphs we develop conjugate gradient and fixed-point methods that take O(dn^3)
time per iteration, where d is the size of the label set. By extending the necessary linear algebra to
Reproducing Kernel Hilbert Spaces (RKHS) we obtain the same result for d-dimensional edge kernels,
and O(n^4) in the infinite-dimensional case; on sparse graphs these algorithms only take O(n^2)
time per iteration in all cases. Experiments on graphs from bioinformatics and other application
domains show that these techniques can speed up computation of the kernel by an order of magnitude
or more. We also show that certain rational kernels (Cortes et al., 2002, 2003, 2004) when
specialized to graphs reduce to our random walk graph kernel. Finally, we relate our framework to
R-convolution kernels (Haussler, 1999) and provide a kernel that is close to the optimal assignment
kernel of Frƶhlich et al. (2006) yet provably positive semi-definite
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
Microlocal Lefschetz classes of graph trace kernels
In this paper, we define the notion of graph trace kernels as a
generalization of trace kernels. We associate a microlocal Lefschetz class with
a graph trace kernel and prove that this class is functorial with respect to
the composition of kernels. We apply graph trace kernels to the microlocal
Lefschetz fixed point formula for constructible sheaves.Comment: 18 pages, revised, to appear in Publ. RIM
Subgraph Matching Kernels for Attributed Graphs
We propose graph kernels based on subgraph matchings, i.e.
structure-preserving bijections between subgraphs. While recently proposed
kernels based on common subgraphs (Wale et al., 2008; Shervashidze et al.,
2009) in general can not be applied to attributed graphs, our approach allows
to rate mappings of subgraphs by a flexible scoring scheme comparing vertex and
edge attributes by kernels. We show that subgraph matching kernels generalize
several known kernels. To compute the kernel we propose a graph-theoretical
algorithm inspired by a classical relation between common subgraphs of two
graphs and cliques in their product graph observed by Levi (1973). Encouraging
experimental results on a classification task of real-world graphs are
presented.Comment: Appears in Proceedings of the 29th International Conference on
Machine Learning (ICML 2012
- ā¦