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A universal qualitative analysis method of near-infrared spectroscopy

A technology of near-infrared spectroscopy and qualitative analysis, which is applied in the direction of material analysis, material analysis, and measuring devices through optical means, and can solve problems such as inability to apply complex systems with small samples, poor accuracy, and low precision

Active Publication Date: 2016-07-27
ZHEJIANG UNIVERSITY OF SCIENCE AND TECHNOLOGY
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Problems solved by technology

[0008] In order to overcome the deficiencies of the existing near-infrared spectroscopy qualitative analysis method, which have low precision and poor accuracy, and cannot be applied to complex systems with small samples, the present invention provides a method with high precision, good accuracy, and effective application to complex systems with small samples. A universal qualitative analysis method of near-infrared spectroscopy

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  • A universal qualitative analysis method of near-infrared spectroscopy
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  • A universal qualitative analysis method of near-infrared spectroscopy

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Embodiment Construction

[0045] The present invention will be further described below in conjunction with the accompanying drawings.

[0046] refer to Figure 1 ~ Figure 3 , a universal qualitative analysis method for near-infrared spectroscopy, which consists of dictionary construction, representation coefficient solving, spectral reconstruction, projection direction search, projection transformation, graph Laplacian matrix calculation, classification optimization problem construction and classification function solution and other components, figure 1 The overall realization block diagram of the method of the present invention is provided, and it specifically comprises the following steps:

[0047] (1) Obtain the near-infrared spectra of the training set and prediction set samples, and represent the near-infrared spectra of the training set as X(n×p), where n=20 is the number of samples in the training set, and p=2051 is the dimension of spectral data; the prediction set The near-infrared spectrum ...

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Abstract

A universal qualitative analysis method for near-infrared spectroscopy, which obtains the near-infrared spectra of the training set and prediction set samples, constructs a cosine dictionary, solves the representation coefficients of the training set and prediction set samples under the cosine dictionary, and then combines the sparseness of the representation coefficients The spectral reconstruction is completed at a high degree, and then the effective projection direction of qualitative classification is found according to the reconstructed training set near-infrared spectrum and the training set sample category number, and the projection transformation of the reconstructed training set and prediction set near-infrared spectrum is completed, and then Calculate the graph Laplacian matrix of the transformed training set and prediction set near-infrared spectra, and transform the classification problem into an optimization problem. Finally, solve the classification function and perform qualitative analysis of the prediction set near-infrared spectra. The invention provides a qualitative analysis method of near-infrared spectroscopy with high precision and good accuracy, which is effectively applicable to complex systems of small samples and has universal applicability.

Description

technical field [0001] The invention relates to the field of near-infrared instrument analysis and detection in chemical industry, food, agriculture, environment, biology and other industries, in particular to a near-infrared spectrum qualitative analysis method. Background technique [0002] Near-infrared spectroscopy is a method of qualitative analysis using the absorption intensity of sensitive groups in substances to near-infrared light of different wavelengths. In recent years, it has been widely used in agriculture, food, medicine, medicine, petrochemical and other fields. After the application of near-infrared analysis technology in various fields, the advantages are obvious, mainly in the following aspects: the analysis and test speed has been greatly improved, and the test time is usually within a few minutes; the test efficiency has been greatly improved. Simultaneously measure multiple properties of the sample; the test cost is further reduced, and the near-infrar...

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G01N21/359
Inventor 周扬刘铁兵陈正伟施秧
Owner ZHEJIANG UNIVERSITY OF SCIENCE AND TECHNOLOGY
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