Multi-core computation inchemometrics: case dtudies of voltammetric and NIR spectrometric analyses
Carregando...
Data
2010
Título da Revista
ISSN da Revista
Título de Volume
Editor
Resumo
The application of sophisticated chemometrics techniques to large datasets has been made
possible by continuing technological improvements in off-the-shelf computers. Recently, such
improvements have been mainly achieved by the introduction of multi-core processors. However,
the efficient use of multi-core hardware requires the development of software that properly address
parallel computing. This paper is concerned with the implementation of parallelism using the Matlab
Parallel Computing Toolbox, which requires only simple modifications to existing chemometrics
code in order to exploit the benefits of multi-core processing. By using this software tool, it is
shown that parallel implementations may provide substantial computational gains. In particular,
the present study considers the problem of variable selection employing the successive projections
algorithm and the genetic algorithm, as well as the use of cross-validation in partial least squares.
For demonstration, two analytical applications are presented: determination of protein in wheat by
near-infrared reflectance spectrometry and classification of edible vegetable oils by square-wave
voltammetry. By using the proposed parallel computing implementations, computational gains
of up to 204% were obtained.
Descrição
Palavras-chave
Parallel computation, Successive projections algorithm, Genetic algorithm, Partial least squares, Voltammetric analysis, Near-infrared spectrometric analysis
Citação
SOARES, Anderson da Silva; GALVÃO, Roberto K. H.; ARAÚJO, Mário César U.; SOARES, Sófacles F. C.; PINTO, Luiz Alberto. Multi-core computation inchemometrics: case dtudies of voltammetric and NIR spectrometric analyses. Journal of the Brazilian Chemical Society, Campinas, v. 21, n. 9, p. 1626-1634, 2010.