Protein classification with kernelized softassign

  • Authors:
  • Miguel Angel Lozano;Francisco Escolano

  • Affiliations:
  • Robot Vision Group, Departamento de Ciencia de la Computación e Inteligencia Artificial, Universidad de Alicante, Spain;Robot Vision Group, Departamento de Ciencia de la Computación e Inteligencia Artificial, Universidad de Alicante, Spain

  • Venue:
  • GbRPR'05 Proceedings of the 5th IAPR international conference on Graph-Based Representations in Pattern Recognition
  • Year:
  • 2005

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Abstract

In this paper we address the problem of comparing and classifying protein surfaces through a kernelized version of the Softassign graph-matching algorithm. Preliminary experiments with random-generated graphs have suggested that weighting the quadratic cost function of Softassign with information coming from the computation of diffusion kernels on graphs attenuate the performance decay with increasing noise levels. Our experimental results show that this approach yields a useful similarity measure to cluster proteins with similar structure, to automatically find prototypical graphs representing families of proteins and also to classify proteins in terms of their distance to these prototypes. We also show that the role of kernel-based information is to smooth the obtained matching fields, which in turn results in noise-free prototype estimation.