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Pattern recognition in chemometrics
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DOI：10.1016/j.chemolab.2015.06.012.png)
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The origins of chemometrics within chemical pattern recognition of the 1960s and 1970s are described. Trends subsequent to that era have reduced the input of pattern recognition within mainstream chemometrics, with a few approaches such as PLS-DA and SIMCA becoming dominant. Meanwhile vibrant and ever expanding literature has developed within machine learning and applied statistics which has hardly touched the chemometric community. Within the wider scientific community, chemometric originated pattern recognition techniques such as PLS-DA have been widely adopted largely due to the existence of widespread packages, but are widely misunderstood and sometimes misapplied. (C) 2015 Elsevier B.V. All rights reserved.
Keyword:
Pattern recognition
Partial least squares discriminant analysis
SIMCA
Linear discriminant analysis
Historic review
Support vector machines
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