Modeling method capable of improving accuracy of qualitative near-infrared spectroscopic analysis

Abstract

The invention provides a modeling method capable of improving the accuracy of qualitative near-infrared spectroscopic analysis. The modeling method comprises the following steps: dividing acquired near infrared spectra and corresponding class target values into a training set and a prediction set; decomposing the spectra in the training set by using empirical mode decomposition (EMD); dividing IMFs and residual error matrixes obtained through decomposition into a high-frequency matrix and a low-frequency matrix according to frequency; expanding the two matrixes into augmented matrixes along the direction of a variable; converting a single row of class target values of various classes into a plurality of rows of target value matrixes of two classes; respectively building models for the augmented matrixes and a plurality of rows of target values; processing the spectra and target values of the prediction set as the spectra and target values of the training set and then substituting the processed spectra and target values into the models for prediction; and converting the obtained multiple rows of predicted target value matrixes of two classes into a single-row multi-class predicted value vector. The method expands the spectra into the augmented matrixes through empirical mode decomposition, so the accuracy of qualitative analysis is greatly improved. The modeling method is applicable to the field of analytical chemistry.

Description

technical field [0001] The invention belongs to the non-destructive analysis technology in the field of analytical chemistry, and in particular relates to a modeling method for improving the accuracy of near-infrared spectrum qualitative analysis. Background technique [0002] Near-infrared spectroscopy (NIR) is a non-destructive analysis technology that has developed rapidly in the field of analytical chemistry in recent years. Compared with traditional analysis techniques, near-infrared spectroscopy analysis technology has many advantages. The acquisition and measurement of near-infrared spectra can complete the determination of its multiple performance indicators; the spectral measurement does not require pretreatment of the analysis samples; no other materials are consumed or samples are damaged during the analysis process; the analysis has good reproducibility and low cost. Therefore, it has been widely used in agriculture, petrochemical, medical and other industries. ...

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Problems solved by technology

Therefore, the EMD method has received widespread attention once it was proposed, and has been applied in the fields of biomedical signal analysis, bridge and building condition monitoring analysis, non-stationary ocean data analysis, etc., but the research on this method in the field of spectral modeling is still less

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