Enhancing Graph Kernels via Successive Embeddings

Graph kernels have recently emerged as a promising approach to perform machine learning on graph-structured data. A graph kernel implicitly embedds graphs in a Hilbert space and computes the inner product between these representations. However, the inner product operation greatly limits the representational power of kernels between graphs. In this paper, we propose to perform a series of successive embeddings in order to improve the performance of existing graph kernels and derive more expressive kernels. We first embed the input graphs in a Hilbert space using a graph kernel and then we embed them into another space by employing popular kernels for vector data (e.g., gaussian kernel). Our experiments on several datasets show that by composing kernels, we can achieve significant improvements in classification accuracy.

[1]  S. V. N. Vishwanathan,et al.  A Structural Smoothing Framework For Robust Graph Comparison , 2015, NIPS.

[2]  Risi Kondor,et al.  The Multiscale Laplacian Graph Kernel , 2016, NIPS.

[3]  Hisashi Kashima,et al.  Marginalized Kernels Between Labeled Graphs , 2003, ICML.

[4]  Kurt Mehlhorn,et al.  Weisfeiler-Lehman Graph Kernels , 2011, J. Mach. Learn. Res..

[5]  Yannis Stavrakas,et al.  Shortest-Path Graph Kernels for Document Similarity , 2017, EMNLP.

[6]  Thomas Gärtner,et al.  On Graph Kernels: Hardness Results and Efficient Alternatives , 2003, COLT.

[7]  Michalis Vazirgiannis,et al.  A Degeneracy Framework for Graph Similarity , 2018, IJCAI.

[8]  Bernhard Schölkopf,et al.  Kernel Methods in Computational Biology , 2005 .

[9]  Michalis Vazirgiannis,et al.  Matching Node Embeddings for Graph Similarity , 2017, AAAI.

[10]  Jan Ramon,et al.  Expressivity versus efficiency of graph kernels , 2003 .

[11]  Thomas Gärtner,et al.  Cyclic pattern kernels for predictive graph mining , 2004, KDD.

[12]  Pinar Yanardag,et al.  Deep Graph Kernels , 2015, KDD.

[13]  Hans-Peter Kriegel,et al.  Shortest-path kernels on graphs , 2005, Fifth IEEE International Conference on Data Mining (ICDM'05).

[14]  Devdatt P. Dubhashi,et al.  Global graph kernels using geometric embeddings , 2014, ICML.

[15]  Nello Cristianini,et al.  Kernel Methods for Pattern Analysis , 2004 .

[16]  Kurt Mehlhorn,et al.  Efficient graphlet kernels for large graph comparison , 2009, AISTATS.

[17]  Sugiyama Mahito,et al.  Halting in Random Walk Kernels , 2015 .