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Introduction to Gaussian Mixture Models

Gaussian mixture models are formed by combining multivariate normal density components. For information on individual multivariate normal densities, see

Multivariate Normal Distribution and related distribution functions listed under

Multivariate Distributions.

In Statistics Toolbox software, use the gmdistribution class to fit data using an expectation maximization (EM) algorithm, which assigns posterior probabilities to each component density with respect to each observation.

Gaussian mixture models are often used for data clustering. Clusters are assigned by selecting the component that maximizes the posterior probability. Like

k-means clustering, Gaussian mixture modeling uses an iterative algorithm that converges to a local optimum. Gaussian mixture modeling may be more appropriate than

k-means clustering when clusters have different sizes and correlation within them. Clustering using Gaussian mixture models is sometimes considered a soft clustering method. The posterior probabilities for each point indicate that each data point has

some probability of belonging to each cluster.

Creation of Gaussian mixture models is described in the Gaussian Mixture Models section of Probability Distributions. This section describes their application in cluster analysis.

Clustering with Gaussian Mixtures

Gaussian mixture distributions can be used for clustering data, by realizing that the multivariate normal components of the fitted model can represent clusters.

To demonstrate the process, first generate some simulated data from a mixture of two bivariate Gaussian distributions using the

mvnrnd function:

mu1 = [1 2];

sigma1 = [3 .2; .2 2];

mu2 = [-1 -2];

sigma2 = [2 0; 0 1];

X = [mvnrnd(mu1,sigma1,200);mvnrnd(mu2,sigma2,100)];

scatter(X(:,1),X(:,2),10,'ko')

gmdistribution_fit1.gif

Fit a two-component Gaussian mixture distribution. Here, you know the correct number of components to use. In practice, with real data, this decision would require comparing models with different numbers of components.

options = statset('Display','final');

gm = gmdistribution.fit(X,2,'Options',options);

This displays

49 iterations, log-likelihood = -1207.91

Plot the estimated probability density contours for the two-component mixture distribution. The two bivariate normal components overlap, but their peaks are distinct. This suggests that the data could reasonably be divided into two clusters:

hold on

ezcontour(@(x,y)pdf(gm,[x y]),[-8 6],[-8 6]);

hold off

gmdistribution_fit2.gif

Partition the data into clusters using the cluster method for the fitted mixture distribution. The

cluster method assigns each point to one of the two components in the mixture distribution.

idx = cluster(gm,X);

cluster1 = (idx == 1);

cluster2 = (idx == 2);

scatter(X(cluster1,1),X(cluster1,2),10,'r+');

hold on

scatter(X(cluster2,1),X(cluster2,2),10,'bo');

hold off

legend('Cluster 1','Cluster 2','Location','NW')

gmdistribution_cluster.gif

Each cluster corresponds to one of the bivariate normal components in the mixture distribution.

cluster assigns points to clusters based on the estimated posterior probability that a point came from a component; each point is assigned to the cluster corresponding to the highest posterior probability. The posterior method returns those

posterior probabilities.

For example, plot the posterior probability of the first component for each point:

P = posterior(gm,X);

scatter(X(cluster1,1),X(cluster1,2),10,P(cluster1,1),'+')

hold on

scatter(X(cluster2,1),X(cluster2,2),10,P(cluster2,1),'o')

hold off

legend('Cluster 1','Cluster 2','Location','NW')

clrmap = jet(80); colormap(clrmap(9:72,:))

ylabel(colorbar,'Component 1 Posterior Probability')

gmdistribution_posterior.gif

Soft Clustering Using Gaussian Mixture Distributions

An alternative to the previous example is to use the posterior probabilities for "soft clustering". Each point is assigned a membership score to each cluster. Membership scores are simply the posterior probabilities, and describe how similar each point is

to each cluster's archetype, i.e., the mean of the corresponding component. The points can be ranked by their membership score in a given cluster:

[~,order] = sort(P(:,1));

plot(1:size(X,1),P(order,1),'r-',1:size(X,1),P(order,2),'b-');

legend({'Cluster 1 Score' 'Cluster 2 Score'},'location','NW');

ylabel('Cluster Membership Score');

xlabel('Point Ranking');

gmdistribution_softclustering.gif

Although a clear separation of the data is hard to see in a scatter plot of the data, plotting the membership scores indicates that the fitted distribution does a good job of separating the data into groups. Very few points have scores close to 0.5.

Soft clustering using a Gaussian mixture distribution is similar to fuzzy K-means clustering, which also assigns each point to each cluster with a membership score. The fuzzy K-means algorithm assumes that clusters are roughly spherical in shape, and all

of roughly equal size. This is comparable to a Gaussian mixture distribution with a single covariance matrix that is shared across all components, and is a multiple of the identity matrix. In contrast,

gmdistribution allows you to specify different covariance options. The default is to estimate a separate, unconstrained covariance matrix for each component. A more restricted option, closer to K-means, would be to estimate a shared, diagonal covariance

matrix:

gm2 = gmdistribution.fit(X,2,'CovType','Diagonal',...

'SharedCov',true);

This covariance option is similar to fuzzy K-means clustering, but provides more flexibility by allowing unequal variances for different variables.

You can compute the soft cluster membership scores without computing hard cluster assignments, using

posterior, or as part of hard clustering, as the second output from cluster:

P2 = posterior(gm2,X); % equivalently [idx,P2] = cluster(gm2,X)

[~,order] = sort(P2(:,1));

plot(1:size(X,1),P2(order,1),'r-',1:size(X,1),P2(order,2),'b-');

legend({'Cluster 1 Score' 'Cluster 2 Score'},'location','NW');

ylabel('Cluster Membership Score');

xlabel('Point Ranking');

gmdistribution_ranking.gif

Assigning New Data to Clusters

In the previous example, fitting the mixture distribution to data using fit, and clustering those data using

cluster, are separate steps. However, the same data are used in both steps. You can also use the

cluster method to assign new data points to the clusters (mixture components) found in the original data.

Given a data set X, first fit a Gaussian mixture distribution. The previous code has already done that.

gm

gm =

Gaussian mixture distribution with 2 components in 2 dimensions

Component 1:

Mixing proportion: 0.312592

Mean: -0.9082 -2.1109

Component 2:

Mixing proportion: 0.687408

Mean: 0.9532 1.8940

You can then use cluster to assign each point in a new data set, Y, to one of the clusters defined for the original data:

Y = [mvnrnd(mu1,sigma1,50);mvnrnd(mu2,sigma2,25)];

idx = cluster(gm,Y);

cluster1 = (idx == 1);

cluster2 = (idx == 2);

scatter(Y(cluster1,1),Y(cluster1,2),10,'r+');

hold on

scatter(Y(cluster2,1),Y(cluster2,2),10,'bo');

hold off

legend('Class 1','Class 2','Location','NW')

gmdistribution_cluster2.gif

As with the previous example, the posterior probabilities for each point can be treated as membership scores rather than determining "hard" cluster assignments.

For cluster to provide meaningful results with new data, Y should come from the same population as

X, the original data used to create the mixture distribution. In particular, the estimated mixing probabilities for the Gaussian mixture distribution fitted to

X are used when computing the posterior probabilities for Y.

来源: http://www.mathworks.cn/help/toolbox/stats/bq_679x-24.html

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