1 Kernels for Graphs

This chapter discusses the construction of kernel functions between labeled graphs. We provide a unified account of a family of kernels called label sequence kernels that are defined via label sequences generated by graph traversal. For cyclic graphs, dynamic programming techniques cannot simply be applied, because the kernel is based on an infinite dimensional feature space. We show that the kernel computation boils down to obtaining the stationary state of a discrete-time linear system, which is efficiently performed by solving simultaneous linear equations. Promising empirical results are presented in classification of chemical compounds.

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

[2]  Manfred K. Warmuth,et al.  Path Kernels and Multiplicative Updates , 2002, J. Mach. Learn. Res..

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

[4]  R. Kondor,et al.  Bhattacharyya and Expected Likelihood Kernels , 2003 .

[5]  Claus Bahlmann,et al.  Online handwriting recognition with support vector machines - a kernel approach , 2002, Proceedings Eighth International Workshop on Frontiers in Handwriting Recognition.

[6]  Hisashi Kashima,et al.  Kernels for Semi-Structured Data , 2002, ICML.

[7]  Kiyoshi Asai,et al.  Marginalized kernels for biological sequences , 2002, ISMB.

[8]  Hinrich Schütze,et al.  Book Reviews: Foundations of Statistical Natural Language Processing , 1999, CL.

[9]  Roy M. Howard,et al.  Linear System Theory , 1992 .

[10]  Hisashi Kashima,et al.  Kernels for graph classification , 2002 .

[11]  Alexander J. Smola,et al.  Fast Kernels for String and Tree Matching , 2002, NIPS.

[12]  Jason Weston,et al.  Mismatch String Kernels for SVM Protein Classification , 2002, NIPS.

[13]  John D. Lafferty,et al.  Information Diffusion Kernels , 2002, NIPS.

[14]  Risi Kondor,et al.  Diffusion kernels on graphs and other discrete structures , 2002, ICML 2002.

[15]  Mehryar Mohri,et al.  Rational Kernels , 2002, NIPS.

[16]  Nello Cristianini,et al.  Learning Semantic Similarity , 2002, NIPS.

[17]  Luc De Raedt,et al.  The Levelwise Version Space Algorithm and its Application to Molecular Fragment Finding , 2001, IJCAI.

[18]  Luc De Raedt,et al.  Feature Construction with Version Spaces for Biochemical Applications , 2001, ICML.

[19]  Michael Collins,et al.  Convolution Kernels for Natural Language , 2001, NIPS.

[20]  Shigeki Sagayama,et al.  Dynamic Time-Alignment Kernel in Support Vector Machine , 2001, NIPS.

[21]  Ashwin Srinivasan,et al.  The Predictive Toxicology Challenge 2000-2001 , 2001, Bioinform..

[22]  Nello Cristianini,et al.  Classification using String Kernels , 2000 .

[23]  Takashi Washio,et al.  An Apriori-Based Algorithm for Mining Frequent Substructures from Graph Data , 2000, PKDD.

[24]  David Haussler,et al.  A Discriminative Framework for Detecting Remote Protein Homologies , 2000, J. Comput. Biol..

[25]  Dan Suciu,et al.  Data on the Web: From Relations to Semistructured Data and XML , 1999 .

[26]  Christian N. S. Pedersen,et al.  Metrics and Similarity Measures for Hidden Markov Models , 1999, ISMB.

[27]  David Haussler,et al.  Convolution kernels on discrete structures , 1999 .

[28]  C. Watkins Dynamic Alignment Kernels , 1999 .

[29]  Yoav Freund,et al.  Large Margin Classification Using the Perceptron Algorithm , 1998, COLT' 98.

[30]  Sean R. Eddy,et al.  Biological Sequence Analysis: Probabilistic Models of Proteins and Nucleic Acids , 1998 .

[31]  Alexander J. Smola,et al.  Learning with kernels , 1998 .

[32]  Ashwin Srinivasan,et al.  Theories for Mutagenicity: A Study in First-Order and Feature-Based Induction , 1996, Artif. Intell..

[33]  Richard Barrett,et al.  Templates for the Solution of Linear Systems: Building Blocks for Iterative Methods , 1994, Other Titles in Applied Mathematics.

[34]  C. Sander,et al.  Protein structure comparison by alignment of distance matrices. , 1993, Journal of molecular biology.