Abstract

Journal of Near Infrared Spectroscopy
Volume 16 Issue 3, Pages 189–197 (2008)
doi: 10.1255/jnirs.778

A review of genetic algorithms in near infrared spectroscopy and chemometrics: past and future

Janne Koljonen, Torbjörn E.M. Nordling and Jarmo T. Alander
Department of Electrical Engineering and Automation, University of Vaasa, PO Box 700, FIN-65101 Vaasa, Finland. E-mail: janne.koljonen@uwasa.fi

Global optimisation and search problems are abundant in science and engineering, including spectroscopy and its applications. Therefore, it is hardly surprising that general optimisation and search methods such as genetic algorithms (GAs) have also found applications in the area of near infrared (NIR) spectroscopy. A brief introduction to genetic algorithms, their objectives and applications in NIR spectroscopy, as well as in chemometrics, is given. The most popular application for GAs in NIR spectroscopy is wavelength, or more generally speaking, variable selection. GAs are both frequently used and convenient in multi-criteria optimisation; for example, selection of pre-processing methods, wavelength inclusion, and selection of latent variables can be optimised simultaneously. Wavelet transform has recently been applied to pre-processing of NIR data. In particular, hybrid methods of wavelets and genetic algorithms have in a number of research papers been applied to pre-processing, wavelength selection and regression with good success. In all calibrations and, in particular, when optimising, it is essential to validate the model and to avoid over-fitting. GAs have a large potential when addressing these two major problems and we believe that many future applications will emerge. To conclude, optimisation gives good opportunities to simultaneously develop an accurate calibration model and to regulate model complexity and prediction ability within a considered validation framework.

Keywords: hemometrics, evolutionary optimisation, genetic algorithms, global optimisation, global search, near infrared spectroscopy

Full-text article (441 kB) (subscribers only)

Buy article on-line for £ (get immediate access)

Alerting Service

 RSS Feed

Permalink: http://dx.doi.org/10.1255/jnirs.778
QR Code (what is this?):

Alerting Services

Our Table of Contents Alerting Service will keep you up-to-date with the latest research published in our journals.

You can also follow our journals on Twitter or subscribe to their RSS feeds.  Follow us on Twitter and Subscribe to our RSS Feeds

Sign Up Now

Subscriptions

Discover the benefits of subscribing to our periodicals

  • Quality Science
  • Fair Pricing
  • Important Research
  • Flexible Subscriptions

Subscribe Today

New Books

New Series of Focused Books in Print and E-Reader Formats

Design of Experiments“If you’re going to experiment, then it is always worth doing it properly” writes Tom Fearn in this introduction to Design of Experiments.
find out more

Near Infrared Spectroscopy on Agricultural HarvestersThis book provides an overview of the deployment of NIR analysers onto harvesting machinery to give real-time, point-of-cropping data.
find out more

Sample Copy of JNIRS