A wavelength selection method based on PCA modeling feedback load weighting
A wavelength selection and feedback technology, which is applied in the field of wavelength selection based on principal component analysis modeling feedback load weighting, can solve the problems of not having a single target absorption peak, spectral collinearity affecting the modeling accuracy of long-band spectral data, etc. Achieve the effect of reducing the number of modeling wavelengths, shortening the calculation time, and improving efficiency
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Embodiment 1
[0031] Qualitative identification of caffeine components in coffee samples by NIR spectroscopy. There are a total of 174 powdered coffee solid samples, 116 of which contain caffeine, and 58 samples do not contain caffeine. The continuous long-wave band region of the spectral measurement setting is 1000-2500 (nm), and the interval between adjacent wavelengths is 2nm. Each sample Measure the spectral values of 750 wavelength variables in total; Spectral modeling adopts the mode of leave-one-out cross-checking, utilizes the LWVS method of the present invention to select information wavelength sets with a higher signal-to-noise ratio, and carries out further modeling discrimination in conjunction with the LDA method, Construct a confusion matrix to quantify and measure the accuracy of discrimination.
[0032] The specific steps are: Step 1, calculate the spectral matrix X 174×750 The covariance matrix MX 750×750 , and calculate the eigenvalue LV of the MX matrix 750×1 And the...
Embodiment 2
[0034] Quantitative analysis of total nitrogen content in soil samples by FT-NIR spectroscopy. A total of 135 powdered solid soil samples, the total nitrogen content range is 0.056-0.289 (wt%), and the continuous long-wave band area of the spectral measurement setting is 9800-4200 (cm -1 ), with a spectral resolution of 8cm -1 , each sample measures the spectral value of altogether 1410 wavelength variables; Spectral modeling adopts the mode of leave-one-out cross-check, utilizes the LWVS method of the present invention to select the information wavelength set with higher signal-to-noise ratio, carries out further in conjunction with MLR method For modeling predictions, root mean square deviation (RMSE) is used to quantify and measure the effect of modeling predictions.
[0035] The specific steps are: Step 1, calculate the spectral matrix X 135×1410 The covariance matrix MX 1410×1410 , and calculate the eigenvalue LV of the MX matrix 1410×1 And the feature vector set LO...
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