A near-infrared spectrum model transfer strategy optimization method and device
A near-infrared spectroscopy and model strategy technology, which is applied in the field of near-infrared spectroscopy model transfer strategy optimization methods and devices, can solve problems such as large amount of calculation options and computational burden, and achieves the effect of simplifying modeling steps and reducing computational burden.
Active Publication Date: 2021-01-05
SHENZHEN BATIAN ECOTYPIC ENG
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Problems solved by technology
[0003] Commonly used model transfer methods have a large number of model transfer strategies, and the amount of calculation options is large, resulting in a computational burden
Method used
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Embodiment 1
[0072] Example 1 Application example of optimization method for near-infrared spectrum model transfer strategy - potato
[0073] 1. Eliminate outliers in the data of the standard sample on the source machine and the target machine by the principal component analysis-Mahalanobis distance (PCA-MD) method.
[0074] First, principal component analysis is performed on the near-infrared spectral data to obtain a score matrix composed of score vectors of the principal components with the highest content.
[0075] Then, the score matrix and chemical measurement vectors are combined into a new matrix and the Mahalanobis distance is calculated for each sample.
[0076] Finally, all mahalanobis distances are counted using box plots and abnormal samples are displayed.
[0077] The analysis results of the source and target near-infrared spectral data by PCA-MD method are as follows: Figure 5 shown, where Figure 6 It is the result of statistically judging the outliers of the mahalanobi...
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Abstract
The invention provides a near infrared spectrum model transfer strategy optimizing method. The near infrared spectrum model transfer strategy optimizing method includes: rejecting abnormal sample values in a standard sample's spectral data detected on a source machine and a target machine, establishing pre-selection model strategies, and voting the pre-selection model strategies by a voting mechanism so as to obtain pre-selection model strategies higher than preset votes, and acquiring an optimal model strategy according to the pre-selection model strategies higher than the preset votes. The invention also provides a near infrared spectrum model transfer strategy optimizing device. The near infrared spectrum model transfer strategy optimizing method provided by the invention introduces thevoting mechanism to acquire the strategy with high votes, alleviates the computational burden and simplifies the modeling steps.
Description
technical field [0001] The invention relates to the technical field of infrared spectrum analysis, in particular to a method and device for optimizing a near-infrared spectrum model transfer strategy. Background technique [0002] Near-infrared spectrum refers to electromagnetic waves with wavelengths between visible light and mid-infrared spectrum. -1 ), it is mainly used in the qualitative and quantitative analysis of organic substances. The near-infrared spectrum mainly reflects the vibration information of the combined frequency and double frequency of molecules. Since each organic component has information in the near-infrared spectral region, the near-infrared spectrum reflects an overlapping, broad and complex background. information and therefore cannot be used directly for analysis. The application of near-infrared spectroscopy needs to be realized in combination with chemometric methods, and the use of chemometric methods can extract useful chemical information t...
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IPC IPC(8): G01N21/359
CPCG01N21/359G07C13/00
Inventor 苏志义华建青朱湘飞黄培钊欧阳贵全
Owner SHENZHEN BATIAN ECOTYPIC ENG