Using Least Squares Support Vector Machine and Polynomial Partial Least Squares Method Quantitative Analysis of Gases in Mines

Author(s):  
Feng Zhang ◽  
xiaojun tang ◽  
angxin tong ◽  
bin wang ◽  
leilei xi ◽  
...  
2019 ◽  
Vol 28 (2) ◽  
pp. 113-121
Author(s):  
Xiang-Zhi Zhang ◽  
Ai-Jun Ma ◽  
Na Feng ◽  
Bao Qiong Li

Because of the complexity of near infrared spectral data, effective strategies are necessary proposed for accurate quantitative analysis purpose. This work explores a new self-construction strategy for the arrangement of conventional near infrared two-dimensional spectra into new self-constructed three-dimensional spectra, and investigate the feasibility of N-way partial least squares combined with the new self-constructed three-dimensional near infrared spectra for obtaining accurate quantitative determination results. A proof-of-concept model system, the quantitative analysis of four components (moisture, oil, protein, and starch) in corn samples, was applied to evaluate the performance of the proposed strategy. The ability of the newly proposed approach to predict the target compounds was checked with test samples. The established models have good predictive power for the target compounds with acceptable values of Rp (range from 0.82 to 0.997) and RMSEP (range from 0.03 to 0.47). Compared with partial least squares method on pretreated near infrared spectra and N-way partial least squares method on the basis of near infrared self-constructed three-dimensional spectra, the proposed method is competitive.


2014 ◽  
Vol 12 (s2) ◽  
pp. S23001-323005
Author(s):  
Wei Zhang Wei Zhang ◽  
Lianfei Duan Lianfei Duan ◽  
Luozheng Zhang Luozheng Zhang ◽  
Yujun Zhang Yujun Zhang ◽  
Liuyi Ling Liuyi Ling ◽  
...  

2019 ◽  
Vol 9 (24) ◽  
pp. 5336 ◽  
Author(s):  
Qi XIA ◽  
Lei-ming YUAN ◽  
Xiaojing CHEN ◽  
Liuwei MENG ◽  
Guangzao HUANG

Methanol gasoline blends are a more economical, and environmentally friendly fuels than gasoline alone, and are widely used in the transportation industry. The content of methanol in methanol gasoline plays an important role in ensuring the quality of gasoline. In some solutions, due to the shortage of energy and illegal profits, the problem of gasoline adulteration and its fineness, has received more and more attention, which would seriously affect the operating condition and service life of internal combustion engines. Therefore, it is very important to identify the correct level of gasoline. However, the traditional detection method is complex and time-consuming. To this end, the feasibility of using attenuated total reflectance Fourier transform infrared (ATR-FTIR) methods coupled with chemometrics methods were investigated to quantitatively and qualitatively analyze methanol gasoline. The qualitative analysis result of partial least squares discriminant analysis (PLS-DA) obtained 100% and 98.66% accuracy in the calibration set and the prediction set, respectively. As for quantitative analysis; two regression algorithms of partial least squares regression (PLSR) and the least square support vector machine (LS-SVM), as well as two variables selection methods of the successive projections algorithm (UVE) competitive adaptive reweighted sampling (CARS) and uninformative variable elimination (UVE) were combined to establish the quantitative model. By comparing the performance of the optimal models; the UVE-PLSR model performed best with a residual predictive deviation (RPD) value of 6.420. The qualitative and quantitative analysis results demonstrate the feasibility of using ATR-FTIR spectra to detect the methanol in methanol gasoline. It is believed that the promising IR spectra will be widely used in gasoline energy quality control in the further.


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