CN108872128B - Tea infrared spectrum classification method based on fuzzy non-correlated C-means clustering - Google Patents

Tea infrared spectrum classification method based on fuzzy non-correlated C-means clustering Download PDF

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CN108872128B
CN108872128B CN201810468730.2A CN201810468730A CN108872128B CN 108872128 B CN108872128 B CN 108872128B CN 201810468730 A CN201810468730 A CN 201810468730A CN 108872128 B CN108872128 B CN 108872128B
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武小红
傅海军
陈勇
武斌
孙俊
戴春霞
翟艳丽
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Enshi Zhushaxi Ecological Agriculture Co Ltd
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Abstract

The invention discloses a tea infrared spectrum classification method based on fuzzy non-relevant C-means clustering. Firstly, collecting the infrared spectrum of a tea sample by using a Fourier infrared spectrum analyzer; then, performing multivariate scattering correction pretreatment on the infrared spectrum; then, reducing the dimension of the spectral data to 20 dimensions by a principal component analysis method; then extracting identification information in the spectral data by utilizing linear discriminant analysis; and finally, classifying the tea varieties by using a fuzzy non-relevant C mean value clustering method. The invention designs a fuzzy non-relevant C mean value clustering method on the basis of the fuzzy C mean value clustering method, has the advantages of high detection speed, high classification accuracy and the like, and can realize the correct classification of tea varieties.

Description

Tea infrared spectrum classification method based on fuzzy non-correlated C-means clustering
Technical Field
The invention relates to a tea leaf classification method, in particular to a tea leaf infrared spectrum classification method based on fuzzy non-correlated C-means clustering.
Background
Tea drinking is the traditional food culture of Chinese. The tea contains tea polyphenols, tea polysaccharide, theanine and other substances beneficial to human health. At present, the tea varieties are numerous in the market, and the importance of the tea quality is gradually paid attention by people. However, the tea leaves on the market are not good and uniform, and have a plurality of varieties, so that the quality of the tea leaves is difficult to distinguish. Therefore, it is very important to develop a method for rapidly and effectively identifying the variety of tea.
Infrared spectroscopy is used primarily for qualitative and quantitative analysis of organic compounds. As a nondestructive detection technology, the infrared spectrum technology is widely applied to the fields of agricultural product and food safety detection and the like in recent years. For example: the Yangxihe and the like carry out identification research on the dark tea by utilizing a Fourier infrared spectrum method. Ayvaz and the like collect the mid-infrared spectrum of the potato juice by using a portable mid-infrared system, perform spectrum pretreatment by using normalization and a Savitzky-Golay second-order polynomial filter, and establish a correction model by using partial least squares regression to predict the contents of anthocyanin, phenolic substances and sugar of the potatoes with seven different colors.
The fuzzy clustering based on the objective function in a plurality of fuzzy clustering algorithms becomes the most widely applied fuzzy clustering algorithm at present because the fuzzy clustering algorithm has the advantages of simple design, wide problem solving range, capability of being finally classified as an optimization problem and the like. The fuzzy C-means clustering is the most representative clustering algorithm in the clustering algorithm based on the objective function. However, the fuzzy C-means clustering FCM cannot dynamically extract the identification information of the sample in the fuzzy clustering process. In order to solve the problem, the invention designs a fuzzy non-correlation C-means clustering method. The method can realize the extraction of the fuzzy non-relevant identification information of the data in the fuzzy C-means clustering process, and can achieve higher clustering accuracy.
Disclosure of Invention
The invention aims to overcome the defects in the prior art and provides the tea infrared spectrum classification method based on fuzzy non-relevant C-means clustering, which has the advantages of high detection speed, high classification accuracy and high classification efficiency. Firstly, collecting the infrared spectrum of a tea sample by using a Fourier infrared spectrum analyzer; then, performing multivariate scattering correction pretreatment on the infrared spectrum; then, reducing the dimension of the spectral data by a principal component analysis method; then extracting identification information in the spectral data by utilizing linear discriminant analysis; and finally, classifying the tea varieties by using a fuzzy non-relevant C mean value clustering method.
The principle on which the invention is based: researches show that the infrared diffuse reflection spectrum of the tea contains internal variety information such as tea polyphenol, caffeine and soluble solid matters in the tea, and the infrared diffuse reflection spectra corresponding to different varieties of tea are different.
A tea infrared spectrum classification method based on fuzzy non-correlation C-means clustering specifically comprises the following steps:
firstly, collecting infrared spectrums of tea samples and preprocessing the spectrums;
and step two, performing dimensionality reduction treatment on the infrared spectrum of the tea sample by adopting a principal component analysis method and extracting identification information of the infrared spectrum of the tea training sample by linear discriminant analysis.
Step three, setting a weight index m of fuzzy C-mean clustering and the maximum iteration number rmaxAnd an error upper limit value. Using a cluster center obtained by fuzzy C-means clustering on the test sample number in the step two as an initial cluster center V of fuzzy non-relevant C-means clustering(0)
Step four: judging the tea variety by adopting a fuzzy non-relevant C mean value clustering method:
1) initialization: setting a weight index m, a category number c and a test sample number n; setting an initial value r and a maximum iteration number r of the iteration numbermax(ii) a Setting an iteration error upper limit value as;
2) calculating an inter-ambiguity scattering matrix SfB
Figure GDA0002496763530000021
Wherein,
Figure GDA0002496763530000022
for the kth sample x at the r iterationkFuzzy membership degree belonging to the ith class, wherein m represents weight; c is the number of the categories,
Figure GDA0002496763530000023
for the class center value of the ith class at the r-th iteration,
Figure GDA0002496763530000024
in order to test the mean value of the samples,
Figure GDA0002496763530000025
n is the number of test samples, xjFor the jth test sample, the superscript T represents the matrix transpose operation.
3) Calculating a fuzzy total scattering matrix SfT
Figure GDA0002496763530000026
Wherein x iskIs the kth test sample.
4) Computing feature vectors
Figure GDA0002496763530000027
Wherein,
Figure GDA0002496763530000028
as the inverse of the fuzzy dispersion matrix, SfBIn order to blur the inter-class hash matrix, λ is the eigenvalue corresponding to the eigenvector ψ. The maximum eigenvalue lambda obtained by calculation1Corresponding eigenvector psi1As the 1 st vector of the fuzzy uncorrelated differential transformation vectors, if p fuzzy uncorrelated differential transformation vectors are psi1,ψ2,...,ψpThen, the p +1 th fuzzy uncorrelated discriminative transfer vector is calculated as follows:
QSfBψp+1=βSfTψp+1
Q=I-SfT TψT(ψSfTψT)-1ψ,
ψ=[ψ1ψ2…ψP]
β is the eigenvector psip+1And the corresponding characteristic value, I, is an identity matrix.
5) X is to bek∈RqConversion into a feature space (by psi)1,ψ2,...,ψpComposition of
yk=xk T1,ψ2,...,ψp](yk∈Rp)
Where p and q are both the dimensions of the sample,. psipIs the p-th feature vector.
6) Also will be
Figure GDA0002496763530000031
Conversion to a feature space
Figure GDA0002496763530000032
Wherein,
Figure GDA0002496763530000033
for class center value, ψ, in fuzzy C-means clustering in step threepIs the p-th feature vector.
7) Computing fuzzy membership function values in feature space
Figure GDA0002496763530000034
Wherein, ykFor the kth sample in the feature space,
Figure GDA0002496763530000035
is the sample y at the r +1 th iterationkFuzzy membership value, u, belonging to class ii k(r+1) Is the fuzzy membership value of the (r + 1) th iterative computation; v. ofi(r)And vj(r)The class center values of the ith class and the jth class of the ith iterative computation are respectively; c is the number of categories, and m is the weight value.
8) Computing class-centered values for classes i in feature space
Figure GDA0002496763530000036
Figure GDA0002496763530000037
Wherein,
Figure GDA0002496763530000038
class center of class i of the r +1 th iterative computation
Figure GDA0002496763530000039
The value of (c).
9) Increasing the number r of iterations, i.e. r +1, until
Figure GDA00024967635300000310
Or r > rmaxThe computation terminates, otherwise it will
Figure GDA00024967635300000311
Is given to a variable
Figure GDA00024967635300000312
Figure GDA00024967635300000313
Is given to a variable
Figure GDA00024967635300000314
And continuing to recalculate from 2).
The invention has the beneficial effects that:
1. according to the fuzzy non-relevant C mean value clustering method, the fuzzy non-relevant identification conversion vector is calculated in the fuzzy C mean value clustering process to extract the identification information of the near infrared spectrum of the tea sample, the extraction of the data non-relevant identification information in the fuzzy C mean value clustering process can be realized, and the higher clustering accuracy is achieved. Can realize the correct classification of different tea varieties.
2. The method can dynamically extract the fuzzy non-relevant identification information of the tea infrared spectrum data in the fuzzy C mean value clustering process, and can improve the accuracy of tea variety identification.
Drawings
FIG. 1 is a flow chart of a fuzzy non-correlated C-means clustering tea infrared spectrum classification method.
Figure 2 is an infrared spectrum of a sample of tea.
FIG. 3 is an infrared spectrum of tea after multiple scattering correction
FIG. 4 is a two-dimensional test sample obtained after linear discriminant analysis processing
FIG. 5 is a fuzzy membership value obtained by fuzzy uncorrelated C-means clustering.
Detailed Description
The invention is further illustrated by the following examples and figures.
As shown in fig. 1, the method of the present invention comprises the steps of:
step one, infrared spectrum collection and spectrum pretreatment of a tea sample: the FTIR-7600 type Fourier infrared spectrum analyzer is preheated for 1 hour after being started. The number of scanning times is 32, and the wave number range of spectral scanning is 7800cm-1~350cm-1With a scanning interval of 1.928cm-1Resolution of 4cm-1. Taking three kinds of tea leaves of high-quality phyllostachys chinensis, low-quality phyllostachys chinensis and Emei mountain Maofeng as research objects, grinding and crushing the three kinds of tea leaves in a proper amount, filtering the three kinds of tea leaves by using a 40-mesh sieve, and uniformly mixing 0.5g of the three kinds of tea leaves with potassium bromide in a ratio of 1: 100. For each sample, 1g of the mixture was pressed and then scanned 3 times by a spectrometer, and the average of the 3 times was taken as sample spectral data. The collection environment temperature is 25 ℃ and the relative humidity is 50%. 32 samples were taken for each tea leaf, for a total of 96 samples. Each sample is a 1868-dimensional data with wave number range of 4001.569cm-1~401.1211cm-1. Selecting 22 samples from each sample as test samples, and obtaining 66 test samples; the remaining 30 samples were used as training samples. The infrared spectrum of the tea sample is shown in figure 2.
And (3) performing spectrum pretreatment on the infrared spectrum of the tea by adopting Multivariate Scattering Correction (MSC). The infrared spectrum of the tea leaves after the spectrum pretreatment is shown in figure 3.
And step two, performing dimensionality reduction treatment on the infrared spectrum of the tea sample by adopting a principal component analysis method and extracting identification information of the infrared spectrum of the tea training sample by linear discriminant analysis.
Performing dimensionality reduction treatment on the infrared spectrum of the tea sample by adopting a principal component analysis method: carrying out characteristic decomposition on the infrared spectrum of the tea leaf sample in figure 3 by adopting a principal component analysis method to obtain the first 20 characteristic vectors v1,v2...v20And corresponding 20 eigenvalues λ1,λ2...λ20. Each feature vector is 1868-dimensional data, and the feature values are as follows
λ1=293.9148,λ2=129.0279,λ3=19.0010,λ4=14.8802,
λ5=6.4349,λ6=3.8189,λ7=2.0033,λ8=1.4310,
λ9=1.0661,λ10=0.6298,λ11=0.4020,λ12=0.3169,
λ13=0.2706,λ14=0.2294,λ15=0.1928,λ16=0.1281,λ17=0.1066,λ18=0.0878,λ19=0.0727,λ20=0.0613。
10 samples are taken from each of the three tea samples to form a tea sample training set, so that the number of the samples in the training set is 30, and the total number of the samples in the testing set is 66 when the rest samples form a tea sample testing set. The linear discriminant analysis is performed to calculate the discrimination vectors of the 20-dimensional training set samples, and the 20-dimensional test set samples are projected onto the first 2 discrimination vectors, and the LDA score chart is shown in FIG. 4. In fig. 4, the dot symbols represent "the" Emei mountain Maofeng ", and the asterisk and the circle represent" the "Gaoyang leaf Qing, Gaoyang leaf Qing", respectively. As can be seen from fig. 4, the data overlap for the three tea test samples is very small. And the data overlapping is less, so that the clustering accuracy is improved.
Step three, setting weight index of fuzzy C-means clustering (FCM)m is 2, maximum number of iterations rmaxThe upper limit of the error is 0.00001 when the value is 100. Performing fuzzy C-means clustering (FCM) on the two-dimensional test sample number shown in the second step and obtained cluster center as an initial cluster center V of the fuzzy non-correlation C-means clustering method(0)
Figure GDA0002496763530000051
Step four: judging the tea variety by adopting a fuzzy non-relevant C mean value clustering method:
1) initialization: setting the weight index m to be 2, the category number c to be 3, and the test sample number n to be 66; setting an initial iteration number value r to be 0 and a maximum iteration number rmaxIs 100; setting the upper limit value of the iteration error to be 0.0001;
2) calculating an inter-ambiguity scattering matrix SfB
Figure GDA0002496763530000052
Wherein,
Figure GDA0002496763530000053
for the kth sample x at the r iterationkFuzzy membership degree belonging to the ith class, wherein m represents a weight index; c is the number of the categories,
Figure GDA0002496763530000054
for the class center value of the ith class at the r-th iteration,
Figure GDA0002496763530000055
in order to test the mean value of the samples,
Figure GDA0002496763530000061
n is the number of test samples, xjFor the jth test sample, the superscript T represents the matrix transpose operation.
3) Calculating a fuzzy total scattering matrix SfT
Figure GDA0002496763530000062
Wherein x iskIs the kth test sample.
4) Computing feature vectors
Figure GDA0002496763530000063
Wherein,
Figure GDA0002496763530000064
as the inverse of the fuzzy dispersion matrix, SfBIn order to blur the inter-class hash matrix, λ is the eigenvalue corresponding to the eigenvector ψ. The maximum eigenvalue lambda obtained by calculation1Corresponding eigenvector psi1As the 1 st vector of the fuzzy uncorrelated differential transformation vectors, if p fuzzy uncorrelated differential transformation vectors are psi1,ψ2,...,ψpThen, the p +1 th fuzzy uncorrelated discriminative transfer vector is calculated as follows:
QSfBψp+1=βSfTψp+1
Q=I-SfT TψT(ψSfTψT)-1ψ,
ψ=[ψ1ψ2…ψP]
5) x is to bek∈RqConversion into a feature space (by psi)1,ψ2,...,ψpComposition of
yk=xk T1,ψ2,...,ψp](yk∈Rp)
Where p and q are both the dimensions of the sample,. psipIs the p-th feature vector.
6) Also will be
Figure GDA0002496763530000065
Conversion to a feature space
Figure GDA0002496763530000066
Wherein,
Figure GDA0002496763530000067
for class center value, ψ, in fuzzy C-means clustering in step threepIs the p-th feature vector.
7) Computing fuzzy membership function values in feature space
Figure GDA0002496763530000071
Wherein, ykFor the kth sample in the feature space,
Figure GDA0002496763530000072
is the sample y at the r +1 th iterationkFuzzy membership value, u, belonging to class iik (r+1)Is the fuzzy membership value of the (r + 1) th iterative computation; v. ofi(r)And vj(r)The class center values of the ith class and the jth class of the ith iterative computation are respectively; c is the number of categories and m is the weight index.
8) Computing class-centered values for classes i in feature space
Figure GDA0002496763530000073
Figure GDA0002496763530000074
Wherein,
Figure GDA0002496763530000075
class center of class i of the r +1 th iterative computation
Figure GDA0002496763530000076
The value of (c).
9) Increasing the number r of iterations, i.e. r +1, until
Figure GDA0002496763530000077
Or r > rmaxThe computation terminates, otherwise it will
Figure GDA0002496763530000078
Is given to a variable
Figure GDA0002496763530000079
Figure GDA00024967635300000710
Is given to a variable
Figure GDA00024967635300000711
And continuing to recalculate from 2).
The experimental results are as follows: p is 2, q is 2, r is 6 times at the end of the iteration, and the class center matrix is
Figure GDA00024967635300000712
The fuzzy membership obtained after the iteration is terminated is shown in fig. 5.
The above-listed detailed description is only a specific description of a possible embodiment of the present invention, and they are not intended to limit the scope of the present invention, and equivalent embodiments or modifications made without departing from the technical spirit of the present invention should be included in the scope of the present invention.

Claims (7)

1. A tea infrared spectrum classification method based on fuzzy non-correlation C-means clustering is characterized by comprising the following steps:
firstly, collecting infrared spectrums of tea samples and preprocessing the spectrums;
step two, adopting a principal component analysis method to perform dimensionality reduction processing on the infrared spectrum of the tea sample and extracting identification information of the infrared spectrum of the tea training sample by linear discriminant analysis;
step three, setting a weight index m of fuzzy C-mean clustering and the maximum iteration number rmaxThe upper limit value of the error; for the test sample of step twoTaking a cluster center obtained by fuzzy C-means clustering as an initial cluster center V of fuzzy non-relevant C-means clustering(0)
Step four: judging the tea variety by adopting a fuzzy non-relevant C mean value clustering method;
the concrete implementation of the fourth step comprises the following steps:
1) initialization: setting a weight index m, a category number c and a test sample number n; setting an initial value r and a maximum iteration number r of the iteration numbermax(ii) a Setting the upper limit value of the iterative error as;
2) calculating an inter-ambiguity scattering matrix SfB
Figure FDA0002496763520000011
Wherein,
Figure FDA0002496763520000012
for the kth sample x at the r iterationkFuzzy membership degree belonging to the ith class, wherein m represents weight; c is the number of the categories,
Figure FDA0002496763520000013
for the class center value of the ith class at the r-th iteration,
Figure FDA0002496763520000014
in order to test the mean value of the samples,
Figure FDA0002496763520000015
n is the number of test samples, xjFor the jth test sample, superscript T represents matrix transposition operation;
3) calculating a fuzzy total scattering matrix SfT
Figure FDA0002496763520000016
Wherein x iskIs the kth test sample;
4) computing feature vectors
Figure FDA0002496763520000017
Wherein,
Figure FDA0002496763520000018
as the inverse of the fuzzy dispersion matrix, SfBIn order to obtain fuzzy inter-class hash matrix, λ is the eigenvalue corresponding to the eigenvector ψ, and the maximum eigenvalue λ obtained by calculation is1Corresponding eigenvector psi1As the 1 st vector of the fuzzy uncorrelated differential transformation vectors, if p fuzzy uncorrelated differential transformation vectors are psi1,ψ2,...,ψpThen, the p +1 th fuzzy uncorrelated discriminative transfer vector is calculated as follows:
Figure FDA0002496763520000021
5) x is to bek∈RqConversion to a feature space
yk=xk T1,ψ2,...,ψp](yk∈Rp)
Where p and q are both the dimensions of the sample,. psipFor the p-th feature vector, the feature space is defined by12,...,ψpComposition is carried out;
6) also will be
Figure FDA0002496763520000022
Conversion to a feature space
Figure FDA0002496763520000023
Wherein,
Figure FDA0002496763520000024
clustering for fuzzy C-means in three stepsClass center value ofpIs the p-th feature vector;
7) computing fuzzy membership function values in feature space
Figure FDA0002496763520000025
Wherein, ykFor the kth sample in the feature space,
Figure FDA0002496763520000026
is the sample y at the r +1 th iterationkFuzzy membership value, u, belonging to class iik (r+1)Is the fuzzy membership value of the (r + 1) th iterative computation; v. ofi(r)And vj(r)The class center values of the ith class and the jth class of the ith iterative computation are respectively; c is the number of categories, and m is the weight value;
8) computing class-centered values for classes i in feature space
Figure FDA0002496763520000027
Figure FDA0002496763520000028
Wherein,
Figure FDA0002496763520000029
class center of class i of the r +1 th iterative computation
Figure FDA00024967635200000210
A value of (d);
9) increasing the number r of iterations, i.e. r +1, until
Figure FDA00024967635200000211
Or r>rmaxThe computation terminates, otherwise it will
Figure FDA0002496763520000031
Is given to a variable
Figure FDA0002496763520000032
Is given to a variable
Figure FDA0002496763520000033
And continuing to recalculate from 2).
2. The tea infrared spectrum classification method based on fuzzy non-correlated C-means clustering as claimed in claim 1, wherein the specific implementation of the first step of tea sample infrared spectrum collection comprises:
grinding and crushing N kinds of tea leaves with a proper amount, filtering the tea leaves by using a 40-mesh sieve, and uniformly mixing 0.5g of tea leaves with 1:100 of potassium bromide; taking 1g of the mixture for film pressing of each sample, then scanning for 3 times by a spectrometer, and taking the average value of 3 times as sample spectrum data; the collection environment temperature is set to be 25 ℃, and the relative humidity is 50%; collecting 32 samples of each tea leaf, and obtaining N x 32 samples, wherein each sample is 1868-dimensional data, and the wave number range is 4001.569cm-1~401.1211cm-1(ii) a And selecting 22 samples as the test samples from each sample, wherein the total number of the test samples is N x 22, and the rest samples are used as training samples.
3. The tea infrared spectrum classification method based on fuzzy uncorrelated C-means clustering as claimed in claim 2, wherein the spectrometer is a fourier infrared spectrum analyzer of FTIR-7600 type.
4. The tea infrared spectrum classification method based on fuzzy non-correlation C-means clustering as claimed in claim 2, wherein the spectrum preprocessing in the first step is: and (3) performing spectrum pretreatment on the infrared spectrum of the tea by adopting a multi-element scattering correction MSC.
5. The tea infrared spectrum classification method based on fuzzy non-correlation C-means clustering as claimed in claim 1, wherein the second step is realized by:
performing dimensionality reduction treatment on the infrared spectrum of the tea sample by adopting a principal component analysis method: carrying out characteristic decomposition on the infrared spectrum of the tea sample by adopting a principal component analysis method to obtain the first 20 characteristic vectors v1,v2…v20And corresponding 20 eigenvalues λ1,λ2…λ20
10 samples are taken from each of the N tea samples to form a tea sample training set, the number of the samples in the training set is N x 10, and the rest samples form a tea sample testing set; and (3) operating linear discriminant analysis to calculate the discrimination vectors of the 20-dimensional training set samples, and projecting the 20-dimensional testing set samples onto the first 2 discrimination vectors to obtain the linear discriminant analysis LDA score.
6. The tea infrared spectrum classification method of fuzzy non-correlation C-means clustering as claimed in claim 1, wherein in the third step, the weight index m is set to 2, and the maximum iteration number r is set asmaxThe upper limit of the error is 0.00001 when the value is 100.
7. The tea infrared spectrum classification method based on fuzzy non-correlation C-means clustering as claimed in claim 1, wherein the weight m in step 1) is 2, the class number C is 3, the test sample number n is 66; setting an initial iteration number value r to be 0 and a maximum iteration number rmaxIs 100; and setting the iteration maximum error parameter to be 0.0001.
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