CN111307764A - Transmission type turbidity measuring method and device based on partial least square method - Google Patents
Transmission type turbidity measuring method and device based on partial least square method Download PDFInfo
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- CN111307764A CN111307764A CN202010157242.7A CN202010157242A CN111307764A CN 111307764 A CN111307764 A CN 111307764A CN 202010157242 A CN202010157242 A CN 202010157242A CN 111307764 A CN111307764 A CN 111307764A
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- 238000000034 method Methods 0.000 title claims abstract description 70
- 230000005540 biological transmission Effects 0.000 title claims abstract description 23
- 230000003595 spectral effect Effects 0.000 claims abstract description 43
- 238000005259 measurement Methods 0.000 claims abstract description 24
- 238000007405 data analysis Methods 0.000 claims abstract description 9
- 238000007781 pre-processing Methods 0.000 claims abstract description 9
- 238000000605 extraction Methods 0.000 claims abstract description 7
- 239000000126 substance Substances 0.000 claims abstract description 7
- 239000011159 matrix material Substances 0.000 claims description 18
- 230000003287 optical effect Effects 0.000 claims description 11
- 238000012545 processing Methods 0.000 claims description 9
- 238000000691 measurement method Methods 0.000 claims description 8
- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 0.000 claims description 8
- 238000004590 computer program Methods 0.000 claims description 6
- 239000002960 lipid emulsion Substances 0.000 claims description 6
- 238000004458 analytical method Methods 0.000 claims description 5
- 239000000463 material Substances 0.000 claims description 2
- 238000013480 data collection Methods 0.000 claims 1
- 238000007906 compression Methods 0.000 description 5
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- 230000001419 dependent effect Effects 0.000 description 4
- 230000000694 effects Effects 0.000 description 4
- 238000000354 decomposition reaction Methods 0.000 description 3
- 238000010586 diagram Methods 0.000 description 3
- 238000007499 fusion processing Methods 0.000 description 3
- 239000007788 liquid Substances 0.000 description 3
- 238000001228 spectrum Methods 0.000 description 3
- 238000002474 experimental method Methods 0.000 description 2
- 238000012417 linear regression Methods 0.000 description 2
- 238000005457 optimization Methods 0.000 description 2
- 238000012847 principal component analysis method Methods 0.000 description 2
- 239000000243 solution Substances 0.000 description 2
- 230000007547 defect Effects 0.000 description 1
- 238000001514 detection method Methods 0.000 description 1
- 239000000284 extract Substances 0.000 description 1
- 235000013305 food Nutrition 0.000 description 1
- 230000006870 function Effects 0.000 description 1
- 230000002452 interceptive effect Effects 0.000 description 1
- 239000008267 milk Substances 0.000 description 1
- 210000004080 milk Anatomy 0.000 description 1
- 235000013336 milk Nutrition 0.000 description 1
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- 238000004445 quantitative analysis Methods 0.000 description 1
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- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
- G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
- G01N21/59—Transmissivity
Abstract
The invention relates to a transmission type turbidity measuring method and device based on a partial least square method, wherein the method comprises the following steps: a spectral data acquisition step: collecting spectral data of a turbidity substance; preprocessing the spectral data: removing accidental errors of the collected spectral data; and (3) data analysis step: and (3) performing principal component extraction on the preprocessed spectral data by adopting a partial least square method, and then performing turbidity measurement. Compared with the prior art, the method provided by the invention can be used for analyzing the spectral data of the turbidity substance by the partial least square method, can effectively remove invalid data, and has the advantages of high turbidity measurement precision, reliable measurement result and the like.
Description
Technical Field
The invention relates to the field of transmission-type turbidimeters, in particular to a transmission-type turbidity measuring method and device based on a partial least square method.
Background
The turbidity measuring method mainly comprises a transmitted light method, a scattered light method and a scattering transmission ratio measuring method at present, but compared with the scattered light measuring method and the scattering transmission ratio measuring method, the transmitted light turbidity measuring method has the problems of low measuring precision and poor anti-interference capability under low turbidity, the transmission measuring method mainly comprises a multiple linear regression method and a principal component analysis method, the multiple linear regression method can realize regression modeling at the same time, but multiple regression needs to be carried out on dependent variables one by one, and the efficiency is low; the principal component analysis method has a simple data structure, but cannot effectively solve the complex problem of high dimensionality, so that the method has important significance in researching the transmission type turbidity measurement method.
Disclosure of Invention
The invention aims to overcome the defect that the transmission type turbidity measuring method in the prior art has low measuring precision under low turbidity, and provides a transmission type turbidity measuring method and a transmission type turbidity measuring device based on a partial least square method.
The purpose of the invention can be realized by the following technical scheme:
a transmission type turbidity measuring method based on partial least square method comprises the following steps:
a spectral data acquisition step: collecting spectral data of a turbidity substance;
preprocessing the spectral data: removing accidental errors of the collected spectral data;
and (3) data analysis step: and (3) performing principal component extraction on the preprocessed spectral data by adopting a partial least square method, and then performing turbidity measurement.
Further, in the spectral data acquisition step, the spectral data of the turbidity material is acquired by adopting a multi-optical-path length method.
Further, the spectral data preprocessing step specifically includes performing centering processing and compression processing on the acquired spectral data at the same time.
Further, the spectral data is a data set { X, Y }, where X is an n × m input matrix composed of m wavelength point parameters and n times of measurement values, Y is an n × 2 output matrix composed of n times of measurement values of fat emulsion and n times of measurement values of turbid water, m is a positive integer, n is a positive integer, and the measurement values are obtained by the spectral data acquisition step.
Further, the m wavelength point parameters are 512 wavelengths in total, which are output in the dynamic range of the turbidity meter, and the optical path length.
Further, in the data analysis step, the turbidity measurement is specifically performed by a graphical analysis method.
Further, the data analysis step further comprises modeling the preprocessed spectral data by a partial least squares method, thereby performing turbidity measurement.
Further, the main component extraction of the preprocessed spectral data by the partial least square method is specifically that the partial least square method is used for extracting a component t from X and Y respectively1And u1And the following conditions are required to be satisfied:
a)t1and u1Should carry as much information as possible about the variations in their respective data tables;
b)t1and u1Can be maximized.
These two requirements indicate that t1And u1Data X and Y should be represented as much as possible; component t of simultaneous independent variables1For the component u of the dependent variable1Has strong dissolving ability. The optimization conditions are as follows:
max<E0w1，F0c1＞
the constraint conditions are as follows:
in the formula: e0Is a data matrix after X is processed by standardization; f0Is a data matrix of Y after standardized processing; w is a1Is E0Is a unit vector, i.e. | w1‖＝1；c1Is F0Is a unit vector, i.e. iic1| ═ 1. Finding w1And c1Then, the following can be obtained:
t1＝E0w1
u1＝F0c1
residual matrix E of regression equation1And F1Comprises the following steps:
in the formula: p is a radical of1And q is1Is the corresponding regression coefficient vector, for the residual matrix E1、F1Similar decomposition is performed until the kth principal element, at which time the residual matrix EkAnd FkAlmost no more valid information is contained. Determining the number k of the pivot elements by a cross-checking method, and obtaining the relation between X and Y as follows:
therefore, the principal component extracted in the partial least square method is the result of the original data fusion processing, invalid data can be effectively eliminated, and the method is a comprehensive variable with interpretation capability and reflecting the characteristics of the described object, and is suitable for turbidity measurement of a multi-optical path transmission type turbidity meter.
The invention also provides a transmission type turbidity measuring device based on the partial least square method, which comprises a memory and a processor, wherein the memory stores a computer program, and the processor calls the computer program to execute the steps of the method.
Compared with the prior art, the invention has the following advantages:
(1) the invention adopts partial least square method to extract the main component of the spectrum data after removing the accidental error, then carries out the turbidity measurement, the extracted main component is the result after the fusion processing of the original data, it can effectively eliminate the invalid data, and is a comprehensive variable with interpretation ability and reflecting the described object characteristics, compared with the traditional measurement method, the invention has better analysis effect, and the turbidity measurement result is more reliable, the integrity is stronger, and the precision of the turbidity measurement is improved.
(2) The invention measures the spectra of different turbidity substances by a multi-optical-path length method, and the prediction error of the multi-optical-path length modeling is generally smaller than that of the single-optical-path length modeling according to the complete interactive verification result, and generally, the concentration residual value measured by the multi-optical-path length method is one order of magnitude smaller than that of the single-optical-path length method.
(3) The invention adopts partial least square method to model the preprocessed spectral data, the modeling method can better solve many problems which can not be solved by common multiple regression in the past, realizes the comprehensive application of various data analysis methods, and has higher integrating degree with the infrared multi-optical path transmission type turbidity measuring method.
(4) The coring treatment of the present invention can bring many technical conveniences; the compression treatment can eliminate the parameter dimension effect, so that each variable has equal expressive force; and the centralization treatment and the compression treatment are carried out simultaneously, so that the requirement of a partial least square method is met.
Drawings
FIG. 1 is a schematic flow diagram of a transmission turbidity measurement method of the present invention;
FIG. 2 is a diagram showing the result of PLS extraction of the principal components from the experimental data with multiple optical path lengths;
FIG. 3 is a graph showing comparison between experimental data and fitting data of multi-optical path long fat emulsion;
FIG. 4 is a graph showing comparison between experimental data and fitting data of multi-optical path long turbid water;
FIG. 5 is a schematic diagram showing a comparison of single optical path length and multiple optical path length residuals of fat emulsion;
FIG. 6 is a graph showing a comparison of single and multiple optical path length residuals for turbid water.
Detailed Description
The invention is described in detail below with reference to the figures and specific embodiments. The present embodiment is implemented on the premise of the technical solution of the present invention, and a detailed implementation manner and a specific operation process are given, but the scope of the present invention is not limited to the following embodiments.
Example 1
The embodiment provides a transmission type turbidity measuring method based on a partial least square method, which comprises the following steps:
a spectral data acquisition step S1: collecting spectral data of a turbidity substance by adopting a multi-optical path length method;
spectral data preprocessing step S2: removing accidental errors of the collected spectral data, and performing centralized processing and compression processing on the collected spectral data simultaneously in the embodiment;
data analysis step S3: and (3) performing principal component extraction and modeling on the preprocessed spectral data by adopting a partial least square method, and then performing turbidity measurement.
The spectral data, partial least squares and specific examples are described in detail below, respectively.
1. Spectral data
The spectral data is a data set { X, Y }, wherein X is an n multiplied by m input matrix formed by m wavelength point parameters and n measured values, Y is an n multiplied by 2 output matrix formed by n measured values of fat milk and n measured values of turbid water, m is a positive integer, n is a positive integer, and the measured values are obtained through the spectral data acquisition step.
2. Partial least squares method (PLS)
In general, actual data all have some degree of co-linearity, and PLS considers the redundancy of data by first performing orthogonal decomposition on X and Y simultaneously (assuming that X and Y have been subjected to normalization preprocessing), i.e.
PLS extracts component t in X and Y, respectively1And u1And the following conditions are required to be satisfied:
a)t1and u1Should carry as much information as possible about the variations in their respective data tables;
b)t1and u1Can be maximized.
These two requirements indicate that t1And u1Data X and Y should be represented as much as possible; component t of simultaneous independent variables1For the component u of the dependent variable1Has strong dissolving ability. The optimization conditions are as follows:
max<E0w1，F0c1>(1)
the constraint conditions are as follows:
in the formula: e0Is a data matrix after X is processed by standardization; f0Is a data matrix of Y after standardized processing; w is a1Is E0Is a unit vector, i.e. | w1‖＝1；c1Is F0Is a unit vector, i.e. iic1| ═ 1. Finding w1And c1Then, the following can be obtained:
t1＝E0w1(4)
u1＝F0c1(5)
residual matrix E of regression equation1And F1Comprises the following steps:
in the formula: p is a radical of1And q is1Is the corresponding regression coefficient vector, for the residual matrix E1、F1Similar decomposition is performed until the kth principal element, at which time the residual matrix EkAnd FkAlmost no more valid information is contained. Determining the number k of the pivot elements by a cross-checking method, and obtaining the relation between X and Y as follows:
therefore, the main components extracted in the PLS method are the result of the fusion processing of the original data, invalid data can be effectively eliminated, and the PLS method is a comprehensive variable with interpretability and reflecting the characteristics of the described object, and is suitable for turbidity measurement of a multi-optical path transmission type turbidity meter.
The embodiment also provides a transmission type turbidity measuring device based on the partial least square method, which comprises a memory and a processor, wherein the memory stores a computer program, and the processor calls the computer program to execute the steps of the transmission type turbidity measuring method based on the partial least square method.
3. Detailed description of the preferred embodiments
1) Multi-optical path length experiment data preprocessing
The data is centralized-compressed at the same time, and the centralized processing can bring many technical conveniences; the compression process can eliminate parametric dimension effects, making each variable equal in expressive power.
2) Modeling by PLS method
The total 512 wavelengths of the wavelength and the optical path length output in the dynamic range of the turbidity meter are used as data columns, and the data measured by the optical path length at each turbidity point are used as data rows to form an input matrix of 210 multiplied by 512. The actual values of the turbidity of fat emulsion and turbid water at different optical paths constitute a 210 x 2 output matrix. According to the component extraction mode adopted by PLS, 10 principal components t are extracted1，t2，…,tmThe requirements are met. The extracted results are analyzed and explained by the graph analysis function of PLS, as shown in FIG. 2. The curves of the actual measured values and the fitting values are shown in fig. 3 and 4, and it can be seen from the graphs that the model fitting effect is better. The single-optical-path and multi-optical-path residual error comparison of fat emulsion and turbid water is shown in fig. 5 and 6, wherein the abscissa is the serial numbers of samples with different concentrations, and the ordinate is the residual error value between the actual value and the fitting value.
Since determination of turbidity of a liquid plays an extremely important role in quality detection of industrial and agricultural products, food safety, and the like, it is extremely important to accurately measure turbidity of a liquid and also an important basis for quantitative analysis of a liquid. In the embodiment, spectra of different turbidity substances are measured by a multi-optical path length method, and accidental errors of experimental data are removed by a superposition average method. And modeling by using a PLS method to realize comprehensive application of various data analysis methods. The experimental result shows that the multi-optical path length residual value is obviously smaller than the single optical path length, and particularly for turbid water, the multi-optical path length residual value is one order of magnitude shorter than the single optical path length. Therefore, the PLS modeling is utilized under the multi-optical path measurement method, the regression modeling of multiple dependent variables to multiple independent variables is realized, and the method has important significance for improving the measurement accuracy under low turbidity.
The foregoing detailed description of the preferred embodiments of the invention has been presented. It should be understood that numerous modifications and variations could be devised by those skilled in the art in light of the present teachings without departing from the inventive concepts. Therefore, the technical solutions available to those skilled in the art through logic analysis, reasoning and limited experiments based on the prior art according to the concept of the present invention should be within the scope of protection defined by the claims.
Claims (8)
1. A transmission type turbidity measuring method based on partial least square method is characterized by comprising the following steps:
a spectral data acquisition step: collecting spectral data of a turbidity substance;
preprocessing the spectral data: removing accidental errors of the collected spectral data;
and (3) data analysis step: and (3) performing principal component extraction on the spectral data subjected to the spectral data preprocessing step by adopting a partial least square method, and then performing turbidity measurement.
2. The transmission-type turbidity measuring method according to claim 1, wherein the spectral data collection step is a multi-optical path length method for collecting the spectral data of the turbidity material.
3. The transmission-type turbidity measurement method based on partial least squares of claim 1, wherein the spectral data preprocessing step is to perform the centering processing and the compressing processing on the collected spectral data at the same time.
4. The transmission-based turbidity measurement method according to claim 1, wherein the spectral data is a data set { X, Y }, where X is an n X m input matrix consisting of m wavelength point parameters and n measurements, Y is an n X2 output matrix consisting of n measurements of fat emulsion and n measurements of turbid water, m is a positive integer, and n is a positive integer, and the measurements are obtained by the spectral data acquisition step.
5. The transmission-based turbidity measurement method according to claim 4, wherein said m wavelength point parameters are 512 wavelengths in total, which are outputted in the dynamic range of the turbidity meter, and the optical path length.
6. The transmission-based turbidity measurement method according to claim 1, wherein in the data analysis step, the turbidity measurement is performed by a graphical analysis method.
7. The method of claim 1, wherein the step of analyzing the data further comprises modeling the preprocessed spectral data using partial least squares to perform turbidity measurements.
8. A transmission-type turbidity measuring apparatus based on partial least squares, comprising a memory and a processor, wherein the memory stores a computer program, and the processor calls the computer program to execute the steps of the method according to any one of claims 1 to 7.
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Application publication date: 20200619 |