Updating multivariate calibration with the Delaunay triangulation method: The creation of a new local model
作者： Ling Jin , QS Xu , J Smeyers-Verbeke , DL Massart , None
DOI: 10.1016/J.CHEMOLAB.2005.08.003
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摘要: Abstract The Delaunay triangulation (DT) method is a local simplex for multivariate calibration. DT model must be updated when new samples show different spectral characteristics, such as they contain components or the typical levels of analyte have moved outside their range. Two situations can considered updating, namely are close to original calibration set (marginal outliers) far away from (true outliers). This paper focuses on latter situation. Updating then leads creation mesh(es). OPTICS (Ordering Points Identify Clustering Structure) proposed decide if candidate updating form cluster and which exactly part that cluster. methodology was applied several NIR (Near Infrared Spectroscopy) data sets with structures procedure performs well. After results comparable better than PLS. However, cannot single very few samples. Overall, however, confirmed valuable tool
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