Characterization of Animal and Vegetable Oil by Attenuated Total Reflectance - Fourier Transform Infrared (ATR-FTIR) Spectroscopy with Supervised Pattern Recognition and Filter Algorithm

• Published in: Analytical letters Vol. 57; no. 2; pp. 307 - 316
• Main Authors: Qiu, Weilun, Yi, Rongnan
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 22.01.2024; Taylor & Francis Ltd
• Subjects: Algorithms; Animal and vegetable oil; attenuated total reflectance - Fourier transform infrared (ATR-FTIR); Bandstop filters; Basis functions; chemometrics; Decision analysis; Decision trees; Discriminant analysis; Fourier transforms; Impulse response; Infrared analysis; Infrared spectra; Infrared spectroscopy; Low pass filters; low-pass/band-stop filter; multilayer perceptron neural network (MLP); Multilayer perceptrons; Neural networks; Pattern recognition; Performance evaluation; Reflectance; Spectrum analysis; Support vector machines; Vegetable oils; Wavelet transforms
• ISSN: 0003-2719; 1532-236X
• DOI: 10.1080/00032719.2023.2207023

The potential of filter algorithms in improving spectral model performance was evaluated. A total of 329 animal and vegetable oil samples were used to collect attenuated total reflectance - Fourier transform infrared (ATR-FTIR) spectra. Fisher discriminant analysis (FDA), support vector machine (SVM), decision tree (DT), K-nearest neighbor analysis (KNN), and multilayer perceptron neural network (MLP) were considered to build models. Three filter algorithms, finite length unit impulse response filter (FIR), infinite length impulse response filter (IIR) and wavelet transform (WT), were evaluated to enhance the performance of the models. The Morlet basis function was the most suitable wavelet transform, accurately classifying 90.3% of the training set and 94.4% of the test set. The MLP algorithms were demonstrated to be superior to the others. The best performance was obtained using low-pass or band-stop filters that provided 100% accuracy with the MLP model. The reported method is demonstrated to be affordable and easy-to-use in forensic analysis.