Self-Optimized One-Class Classification Using Sum of Ranking Differences Combined with a Receiver Operator Characteristic Curve.

Analytical Chemistry
Tony Lemos, John H Kalivas

Abstract

A significant and common problem in analytical chemistry is determining if a sample belongs to a specific class, e.g., establishing if a food product is genuine or counterfeit or a tissue sample is benign or malignant. This problem is termed one-class classification (class modeling). Problematic with class modeling is determining which one-class classifier to use followed by the challenge of optimizing the chosen classifier (identifying the best tuning parameter value(s)). With spectroscopic data, two other conundrums arise: which data preprocessing method(s) and spectral region(s) to use. Presented in this paper is a hybrid fusion process that can combine nonoptimized classifiers across multiple instruments, preprocessing methods, and measurements. Instead of optimizing classifiers, a window of tuning parameters is used for each classifier. The flexible fusion method of sum of ranking differences (SRD) is applied to combine all assessment values. Defining the best SRD ranking value (threshold) for determining class membership is the one tuning parameter value needed. However, this SRD ranking value is automatically optimized by using a receiver operator characteristic (ROC) curve. The approach is demonstrated on two analytical...Continue Reading

References

Mar 15, 2013·Bioanalysis·Valentina PirroMarco Vincenti
Apr 22, 2014·Analytica Chimica Acta·Alessandra BiancolilloFederico Marini
May 9, 2014·Analytical Chemistry·Andrew E JonesJohn Y Goulermas
May 17, 2014·Analytica Chimica Acta·M Isabel LópezM Pilar Callao
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Sep 12, 2017·Analytical Chemistry·Stefanie GerbigSabine Schulz
Mar 6, 2018·Analytical Chemistry·Brett BrownfieldJohn H Kalivas
Aug 25, 2018·Analytical Chemistry·Raffaele VitaleCyril Ruckebusch
Sep 5, 2019·Analytical Chemistry·Edward D KantzMohit Jain
Oct 28, 2019·Analytica Chimica Acta·Zewei Chen, Peter de Boves Harrington

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