Adaptive Variable Re-weighting and Shrinking Approach for Variable Selection in Multivariate Calibration for Near-infrared Spectroscopy

2021 ◽  
Vol 49 (5) ◽  
pp. e21079-e21086
Author(s):  
Jing-Jing SUN ◽  
Wu-De YANG ◽  
Mei-Chen FENG ◽  
Lu-Jie XIAO ◽  
Hui SUN ◽  
...  
Energies ◽  
2021 ◽  
Vol 14 (5) ◽  
pp. 1460
Author(s):  
Jinming Liu ◽  
Changhao Zeng ◽  
Na Wang ◽  
Jianfei Shi ◽  
Bo Zhang ◽  
...  

Biochemical methane potential (BMP) of anaerobic co-digestion (co-AD) feedstocks is an essential basis for optimizing ratios of materials. Given the time-consuming shortage of conventional BMP tests, a rapid estimated method was proposed for BMP of co-AD—with straw and feces as feedstocks—based on near infrared spectroscopy (NIRS) combined with chemometrics. Partial least squares with several variable selection algorithms were used for establishing calibration models. Variable selection methods were constructed by the genetic simulated annealing algorithm (GSA) combined with interval partial least squares (iPLS), synergy iPLS, backward iPLS, and competitive adaptive reweighted sampling (CARS), respectively. By comparing the modeling performances of characteristic wavelengths selected by different algorithms, it was found that the model constructed using 57 characteristic wavelengths selected by CARS-GSA had the best prediction accuracy. For the validation set, the determination coefficient, root mean square error and relative root mean square error of the CARS-GSA model were 0.984, 6.293 and 2.600, respectively. The result shows that the NIRS regression model—constructed with characteristic wavelengths, selected by CARS-GSA—can meet actual detection requirements. Based on a large number of samples collected, the method proposed in this study can realize the rapid and accurate determination of the BMP for co-AD raw materials in biogas engineering.


2017 ◽  
Vol 25 (4) ◽  
pp. 223-230 ◽  
Author(s):  
Joseph Dubrovkin

It was shown that linear transformations are suitable for use in multivariate calibration in near infrared spectroscopy as data compression tools. Partial Least Squares calibration models were built using spectral data transformed by expansion in the series of classical orthogonal polynomials, Fourier and wavelet harmonics. These models allowed effective prediction of the cetane number of diesel fuels, Brix and pol parameters of syrup in sugar production and fat and total protein content in milk. Depending on the compression ratio, prediction errors were no larger than 30% of corresponding errors obtained by the use of the non-transformed models. Although selection of the most suitable transformation depends on the calibration data and on the cross-validation method, in many cases Fourier transform gave satisfactory results.


2019 ◽  
Vol 52 (18) ◽  
pp. 2914-2930 ◽  
Author(s):  
Karla Pereira Rainha ◽  
Júlia Tristão do Carmo Rocha ◽  
Rayza Rosa Tavares Rodrigues ◽  
Betina Pires de Oliveira Lovatti ◽  
Eustáquio Vinicius Ribeiro de Castro ◽  
...  

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