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Method for analyzing material composition content on basis of infrared spectroscopy

An infrared spectrum analysis and infrared spectrum technology, which is applied in the field of analyzing the content of substances based on infrared spectrum, can solve the problem of low efficiency of remodeling, and achieve the effect of accurate and simple transfer relationship, good prediction effect, and reduction of calculation amount.

Active Publication Date: 2017-05-17
东北大学秦皇岛分校
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Problems solved by technology

[0003] In order to solve the problem of low efficiency of existing remodeling, the present invention proposes a method for analyzing the content of material components based on infrared spectroscopy, including the following steps:

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  • Method for analyzing material composition content on basis of infrared spectroscopy
  • Method for analyzing material composition content on basis of infrared spectroscopy
  • Method for analyzing material composition content on basis of infrared spectroscopy

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Embodiment 1

[0043] Such as figure 1 Shown, the present invention provides a kind of method based on infrared spectrum analysis substance composition content, comprises the following steps:

[0044] S101. Establish a first regression model according to the source-domain infrared spectrum data and the content of source-domain material components corresponding to the source-domain infrared spectrum data, and obtain parameters in the first regression model; the first regression model is, for example, A partial least squares regression model, performing feature extraction on the source domain infrared spectral data to obtain a first spectral feature, establishing the partial least squares regression model according to the first spectral feature and source domain material component content, and calculating the regression coefficient; specifically, the step of performing feature extraction on the source domain infrared spectral data to obtain the first spectral feature includes performing centra...

Embodiment 2

[0054] The method for analyzing the content of material components based on infrared spectroscopy in the present invention combines transfer learning and PLS algorithm to form a transfer calibration algorithm (CT_pls algorithm). Domain feature space, and then the model of the source domain can be used to process the data of the target domain. This method first uses the PLS algorithm to extract the features of the source domain samples and the target samples, then establishes a multivariate calibration model based on the source domain features and a linear transfer model between the source domain and target domain features, and finally uses the same method for the unknown After feature extraction and transfer of target domain samples, the source domain calibration model is used to predict the transferred features.

[0055] Assume that there are source domain datasets {X S ,y} and the target domain dataset {X T ,y}, where X S and x T Measured by the master spectrometer and t...

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Abstract

The invention relates to a method for analyzing material composition content on the basis of infrared spectroscopy. The method comprises the following steps: establishing a first regression model according to a source domain infrared spectroscopy data and the source domain material composition content corresponding to the source domain infrared spectroscopy data and getting a parameter in the first regression model; acquiring a target domain infrared spectroscopy data, establishing a transferring model between the target domain infrared spectroscopy data and the source domain infrared spectroscopy data and getting the parameter in the transferring model; and utilizing the first regression model to acquire the target domain material composition content corresponding to the target domain infrared spectroscopy data according to the target domain infrared spectroscopy data and the transferring model. According to the analyzing method provided by the invention, a characteristic transferring method in transfer learning and a partial least squares algorithm are combined for realizing the conversion of the spectral characteristic space from the target domain to the source domain, the redundant information can be reduced, the transferring accuracy can be increased and the calculated amount of the transferring process can be greatly reduced.

Description

technical field [0001] The invention relates to the field of infrared spectrum analysis, in particular to a method for analyzing the content of material components based on infrared spectrum. Background technique [0002] The content of the material components can be known by infrared spectrum analysis. By measuring the infrared spectrum and analyzing it, we can know the content of the material composition, which can not only be analyzed qualitatively but also quantitatively. However, in the existing infrared spectrum measurement process, changes in measuring instruments or measurement conditions will cause the original calibration model to fail, and re-establishing the model will waste a lot of time and cost, resulting in inaccurate analysis results and low analysis efficiency. . Contents of the invention [0003] In order to solve the problem of low efficiency of existing remodeling, the present invention proposes a method for analyzing the content of material componen...

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Application Information

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IPC IPC(8): G01N21/3563
Inventor 赵煜辉单鹏张洋洋
Owner 东北大学秦皇岛分校
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