title: Knowledge discovery in spectral data by means of complex networks.
abstract: In the last decade, complex networks have widely been applied to the study of many natural and man-made systems, and to the extraction of meaningful information from the interaction structures created by genes and proteins. Nevertheless, less attention has been devoted to metabonomics, due to the lack of a natural network representation of spectral data. Here we define a technique for reconstructing networks from spectral data sets, where nodes represent spectral bins, and pairs of them are connected when their intensities follow a pattern associated with a disease. The structural analysis of the resulting network can then be used to feed standard data-mining algorithms, for instance for the classification of new (unlabeled) subjects. Furthermore, we show how the structure of the network is resilient to the presence of external additive noise, and how it can be used to extract relevant knowledge about the development of the disease.
authors: Faculdade de Ciências e Tecnologia, Departamento de Engenharia Electrotécnica, Universidade Novade Lisboa, Portugal. massimiliano.zanin@ctb.upm.es.
authors: Massimiliano
authors: M
authors: Zanin
authors: Centre for Biomedical Technology, Polytechnic University of Madrid Pozuelo de Alarcón, 28223 Madrid, Spain. papodav@gmail.com.
authors: David
authors: D
authors: Papo
authors: Biophysics and Biological Science Laboratory, Centro Universitario de los Lagos, Universidad de Guadalajara, 47460, Lagos de Moreno, Jalisco, Mexico. jluis0968@gmail.com.
authors: José Luis González
authors: JL
authors: Solís
authors: Biophysics and Biological Science Laboratory, Centro Universitario de los Lagos, Universidad de Guadalajara, 47460, Lagos de Moreno, Jalisco, Mexico. jcmartineze@ipn.mx.
authors: Juan Carlos Martínez
authors: JC
authors: Espinosa
authors: Centro de Investigaciones en Óptica, A. C. 20200, Aguascalientes, Mexico. cfraus@cio.mx.
authors: Claudio
authors: C
authors: Frausto-Reyes
authors: Hospital Regional de Alta Especialización del Bajío 37660, León, Gto., Mexico. ppalomares61@hotmail.com.
authors: Pascual Palomares
authors: PP
authors: Anda
authors: Biophysics and Biological Science Laboratory, Centro Universitario de los Lagos, Universidad de Guadalajara, 47460, Lagos de Moreno, Jalisco, Mexico.
authors: Ricardo
authors: R
authors: Sevilla-Escoboza
authors: Biophysics and Biological Science Laboratory, Centro Universitario de los Lagos, Universidad de Guadalajara, 47460, Lagos de Moreno, Jalisco, Mexico.
authors: Rider
authors: R
authors: Jaimes-Reategui
authors: Centre for Biomedical Technology, Polytechnic University of Madrid Pozuelo de Alarcón, 28223 Madrid, Spain. stefano.boccaletti@gmail.com.
authors: Stefano
authors: S
authors: Boccaletti
authors: Centre for Biomedical Technology, Polytechnic University of Madrid Pozuelo de Alarcón, 28223 Madrid, Spain. ernestina.menasalvas@upm.es.
authors: Ernestina
authors: E
authors: Menasalvas
authors: Faculdade de Ciências e Tecnologia, Departamento de Engenharia Electrotécnica, Universidade Novade Lisboa, Portugal. pas@fct.unl.pt.
authors: Pedro
authors: P
authors: Sousa