FASTANDACCURATEMULTI-CLASSPROTEINFOLDRECOGNITIONWITHSPATIAL SAMPLEKERNELS

Establishing structural or functional relationship between sequences, for instance to infer the structural class of an unannotated protein, is a key task in biological sequence analysis. Recent computational methods such as profile and neighborhood mismatch kernels have shown very promising results for protein sequence classification, at the cost of high computational complexity. In this study we address the multi-class sequence classification problems using a class of string-based kernels, the sparse spatial sample kernels (SSSK), that are both biologically motivated and efficient to compute. The proposed methods can work with very large databases of protein sequences and show substantial improvements in computing time over the existing methods. Application of the SSSK to the multi-class protein prediction problems (fold recognition and remote homology detection) yields significantly better performance than existing state-of-theart algorithms.

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

[2]  Jason Weston,et al.  Multi-class protein fold recognition using adaptive codes , 2005, ICML.

[3]  T. N. Bhat,et al.  The Protein Data Bank , 2000, Nucleic Acids Res..

[4]  Theodoros Damoulas,et al.  Probabilistic multi-class multi-kernel learning: on protein fold recognition and remote homology detection , 2008, Bioinform..

[5]  A. D. McLachlan,et al.  Profile analysis: detection of distantly related proteins. , 1987, Proceedings of the National Academy of Sciences of the United States of America.

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

[7]  Maria Jesus Martin,et al.  The SWISS-PROT protein knowledgebase and its supplement TrEMBL in 2003 , 2003, Nucleic Acids Res..

[8]  Chris H. Q. Ding,et al.  Multi-class protein fold recognition using support vector machines and neural networks , 2001, Bioinform..

[9]  Pierre Baldi,et al.  A machine learning information retrieval approach to protein fold recognition. , 2006, Bioinformatics.

[10]  Jason Weston,et al.  Semi-supervised Protein Classification Using Cluster Kernels , 2003, NIPS.

[11]  Y. Freund,et al.  Profile-based string kernels for remote homology detection and motif extraction. , 2005, Journal of bioinformatics and computational biology.

[12]  E. Myers,et al.  Basic local alignment search tool. , 1990, Journal of molecular biology.

[13]  Ryan M. Rifkin,et al.  In Defense of One-Vs-All Classification , 2004, J. Mach. Learn. Res..

[14]  D. Lipman,et al.  Improved tools for biological sequence comparison. , 1988, Proceedings of the National Academy of Sciences of the United States of America.

[15]  Tim J. P. Hubbard,et al.  SCOP: a Structural Classification of Proteins database , 2000, Nucleic Acids Res..

[16]  Jason Weston,et al.  Support vector machines for multi-class pattern recognition , 1999, ESANN.

[17]  Vladimir Vapnik,et al.  Statistical learning theory , 1998 .

[18]  Thomas G. Dietterich,et al.  Solving Multiclass Learning Problems via Error-Correcting Output Codes , 1994, J. Artif. Intell. Res..

[19]  Sean R. Eddy,et al.  Profile hidden Markov models , 1998, Bioinform..

[20]  Jason Weston,et al.  Multi-class Protein Classification Using Adaptive Codes , 2007, J. Mach. Learn. Res..