Consensus Classification Using Non-Optimized Classifiers.

Classifying samples into categories is a common problem in analytical chemistry and other fields. Classification is usually based on only one method, but numerous classifiers are available with some being complex, such as neural networks, and others are simple, such as k nearest neighbors. Regardless, most classification schemes require optimization of one or more tuning parameters for best classification accuracy, sensitivity, and specificity.

Feasibility Assessment of Synchronous Fluorescence Spectral Fusion by Application to Argan Oil for Adulteration Analysis.

Synchronous fluorescence spectroscopy (SFS) is used for quantitative analysis as well as for qualitative analysis, such as with classification methods. With SFS, determination of a useful wavelength interval between the excitation and emission wavelengths (Δλ) is required. There are a multitude of Δλ intervals that can be evaluated and optimization of the best one is complex.

Consensus Outlier Detection Using Sum of Ranking Differences of Common and New Outlier Measures Without Tuning Parameter Selections.

Sample outlier detection is imperative before calculating a multivariate calibration model. Outliers, especially in high-dimensional space, can be difficult to detect. The outlier measures Hotelling's t-squared, Q-residuals, and Studentized residuals are standard in analytical chemistry with spectroscopic data.