Autoregressive model based feature extraction method for time shifted chromatography data

Weixiang Zhao, Cristina E Davis

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

This study aims to demonstrate the distinct advantages of a novel feature extraction method based on autoregressive (AR) model for the classification of the chromatography data with time shifts. Two typical classification methods, principal component regression (PCR) and neural networks (NN), were employed to compare the classification effects of three types of feature spaces: the chromatogram AR coefficients obtained through an AR model, the chromatogram wavelet coefficients, and the original chromatography data. The results indicate: (1) for the normal non-time shifted chromatography data, three types of feature spaces show almost equally good classification results; (2) for the time shifted chromatography data, the classification effect based on the AR coefficients is significantly better than those based on the other two feature spaces, especially when an NN model is employed for the nonlinearity in the classification system; and (3) without time alignment, the damage caused by the time shifts to the classification based on the chromatogram wavelet coefficients and the original chromatography data is not easily overcome even by employing an NN model. This study not only demonstrates the distinct ability of this proposed feature extraction method to free us from time alignment for the chromatography data with time shifts, but also illustrates the robustness of this feature extraction method in terms of the AR model order selection. The AR model based feature extraction method provides a novel, fast, and reliable strategy for chromatogram characterization and classification, with a great potential to benefit the development of automated instrumentation systems.

Original languageEnglish (US)
Pages (from-to)252-257
Number of pages6
JournalChemometrics and Intelligent Laboratory Systems
Volume96
Issue number2
DOIs
StatePublished - Apr 15 2009

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Chromatography
Feature extraction
Neural networks

Keywords

  • Autoregressive
  • Chromatogram
  • Feature extraction
  • Neural networks
  • PCA
  • Wavelet analysis

ASJC Scopus subject areas

  • Analytical Chemistry
  • Computer Science Applications
  • Software
  • Process Chemistry and Technology
  • Spectroscopy

Cite this

Autoregressive model based feature extraction method for time shifted chromatography data. / Zhao, Weixiang; Davis, Cristina E.

In: Chemometrics and Intelligent Laboratory Systems, Vol. 96, No. 2, 15.04.2009, p. 252-257.

Research output: Contribution to journalArticle

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