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Learning Gaussian Mixture Models with Entropy Based Criteria Antonio Pe˜nalver† , Francisco Escolano‡ and Juan M. S´aez‡

Abstract—In this paper, we address the problem of estimating the parameters of Gaussian mixture models. Although the Expectation-Maximization (EM) algorithm yields the maximumlikelihood solution, its sensitivity to the selection of the starting parameters is well-known and it may converge to the boundary of the parameter space. Furthermore, the resulting mixture depends on the number of selected components, but the optimal number of kernels may be unknown beforehand. We introduce the use of the entropy of the probability density function (pdf) associated to each kernel to measure the quality of a given mixture model with a fixed number of kernels. We propose two methods to approximate the entropy of each kernel and a modification of the classical EM algorithm in order to find the optimum number of the mixture components. Besides, we use two stopping criteria: a novel global mixture entropy-based criterion called Gaussianity Deficiency (GD) and the Minimum Description Length (MDL) principle-based criterion. Our algorithm, called EBEM (Entropy-based EM), starts with a unique kernel and performs only splitting by selecting the worse kernel attending to GD. It improves other state-of-the-art model order selection methods and we have successfully tested it in probability density estimation and color image segmentation. Index Terms—Gaussian mixture models, unsupervised learning, model order selection, clustering, entropy estimation, expectation-maximization algorithm, minimum description length criterion.

I. I NTRODUCTION IXTURE models, in particular those using Gaussian kernels, have been widely used in areas involving statistical modeling of data, like pattern recognition, computer vision, image analysis or complex probability density functions (pdfs) approximation. In statistical pattern recognition, mixture models allow a formal approach to clustering [1][2]. Mixtures model the samples of a set as being generated by one of a set of kernels. The estimation of the parameters of each kernel leads to a clustering of the data set. Whereas traditional clustering methods are based on heuristics (kmeans algorithm) or hierarchical agglomerative techniques [3], mixture models allow us to address the problem of validate the parameters of a given model in a formal way. Mixture models are also suitable for representing complex class-conditional pdfs in Bayesian supervised learning scenarios [4][5][6] or Bayesian parameter estimation [7]. The task of estimating the parameters of a given mixture can be achieved with different approaches: maximum likelihood, maximum a posteriori (MAP) or Bayesian inference [8][9].

M

† Departamento de Estad´ıstica, Matem´ aticas e Inform´atica, Universidad Miguel Hern´andez, Spain (e-mail: [email protected]) ‡ Departamento de Ciencia de la Computaci´ on e Inteligencia Artificial, Universidad de Alicante, Spain (e-mail: {sco,jmsaez}.dccia.ua.es) This research is partially funded by the project TIC2002-02792 of the Spanish Government.

Maximum-likelihood algorithms estimate the parameters by means of a maximization of a likelihood function. One of the most common methods for fitting mixtures to data is the EM algorithm [10]. However, this algorithm is prone to initialization errors and, under these conditions, it may converge to local maxima of the log-likelihood function. In addition, the algorithm requires that the number of elements (kernels) in the mixture is known beforehand. For a given number of kernels, the EM algorithm yields a maximumlikelihood solution but this does not ensure that the pdf of the data (multi-dimensional patterns) is properly estimated. A maximum-likelihood criterion with respect to the number of kernels is not useful because it tends to use a kernel to describe each pattern.

MAP estimation approach try to find the parameters that correspond to the location of the MAP density function and is used when this density cannot be obtained directly [11]. Bayesian inference models the a posteriori parameter probability distribution, so it is assumed that the parameters are not uniquely described and they are modeled by probability density functions (pdf) [8]. Thus, an additional set of hyperparameters are required in order to model the distribution of parameters. Then, the a posteriori probability of the data set is obtaining by integrating over the probability distribution of the parameters. The task of defining proper distribution functions for parameters can be computationally heavy and may result in intractable integrals. There are some approaches that try to solve those drawbacks: Laplacian method [12], Markov Chain Monte Carlo (MCMC) [13], and Variational methods [14], [15]. Laplacian methods employs an approximation based on Taylor expansion for the expression of the integrals [12], however, in high dimensional contexts this approach is computationally expensive and can provide poor approximation results. MCMC methods require both an appropriate distribution selection and sampling techniques in order to draw suitable data samples. Besides, due to their stochastic nature, MCMC algorithms may require a long time to converge [13]. Variational algorithms are guaranteed to provide a lower bound on the approximation error [14]. In most approaches, parameter initialization is selected random, defined in a given range of values, but it could lead to overfitting and poor generalization [16]. Although the results show good performance in clustering, blind signal detection or color image segmentation, the computational complexity of de Variational EM algorithm is higher than the classic EM with the maximum likelihood criterion. Here we focus on this kind of EM algorithms.

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A. Gaussian Mixture Models A d-dimensional random variable y follows a finite-mixture distribution when its pdf p(y|Θ) can be described by a weighted sum of known pdfs named kernels. When all these kernels are Gaussian, the mixture is named in the same way: p(y|Θ) =

K X

πi p(y|Θi )

(1)

i=1

PK where 0 ≤ πi ≤ 1, i = 1, .., K, i=1 πi = 1, K is the number of kernels, π1 , ..., πk are the a priori probabilities of each kernel, and Θi the parameters describing the kernel. In Gaussian mixtures, Θi = {µi , Σi }, that is, the average vectors and the covariance matrices. The set of parameters of a given mixture is denoted by Θ ≡ {Θ1 , ..., Θk , π1 , ..., πk }. Obtaining the optimal set of parameters Θ∗ is usually posed in terms of maximizing the log-likelihood of the pdf to be estimated:

`(Y |Θ)

= log p(Y |Θ) = log

N Y

Fig. 1. Two Gaussians with averages µ1 = [0, 0] y µ2 = [3, 2] (left) are erroneously described by a unique kernel with µ = [1.5, 1] (right).

Thus, the probability of generating yn with the kernel k is given by πk p(y(n) |k) p(k|yn ) = K (6) Σj=1 πj p(y(n) |k) 2) M step: Given the expected Z, the new parameters Θ∗ (t + 1) are given by:

p(yn |Θ)

πk =

n=1

=

N X n=1

log

K X

πk p(yk |Θk ).

k=1

Θ∗M L = arg max `(Θ). Θ

(3)

can not be determined analytically. B. EM Algorithm The EM (Expectation-Maximization) algorithm [10][17] is an iterative procedure that allows us to find maximumlikelihood solutions to problems in which there are hidden variables. In the case of Gaussian mixtures [18], these variables are a set of N labels Z = {z 1 , ..., z N } associated to the (i) (i) samples. Each label is a binary vector z i = [z1 , ..., zk ], with (i) (i) zm = 1 and zp = 0, if p 6= m, indicating that y (i) has been generated by the kernel m. Then, given the complete set of data X = {Y, Z}, the log-likelihood of this set is given by log p(Y, Z|Θ) =

N X K X

zkn log[πk p(yn |Θk )].

(4)

n=1 k=1

The EM algorithm generates a sequence of estimations of the set of parameters {Θ∗ (t), t = 1, 2, ...} by alternating an expectation step and the maximization step until convergence. 1) E step: It consists of estimating the expected value of the hidden variables given the visible data Y and the current estimation of the parameters Θ∗ (t). Such expectation can be expressed in the following way (n)

E[zk |y, Θ∗ (t)]

PN n=1 p(k|yn )yn µk = P , N n=1 p(k|yn )

(2)

where Y = {y1 , ...yN } is a set of N i.i.d. samples of the variable Y . It is well-known that the Maximum Likelihood (ML) estimation:

(n)

= P [zk = 1|y, Θ∗ (t)]) πk∗ (t)p(y (n) |Θ∗k (t)) , = K Σj=1 πj∗ (t)p(y (n) |Θ∗k (t))

(5)

N 1 X p(k|yn ), N n=1

PN Σk =

n=1

p(k|yn )(yn − µk )(yn − µk )T , PN n=1 p(k|yn )

(7)

(8)

(9)

A detailed description of this classic algorithm is given in [18]. Here we focus on the fact that if K is unknown beforehand it cannot be estimated through maximizing the loglikelihood because `(Θ) grows with K. In addition, a wrong K may drive the estimation towards an erroneous result. For instance, in Fig. 1 we show the effect of using only a kernel to describe two Gaussian distributions C. Model Order Selection The model-selection problem has been addressed in many ways. Some approaches start with a few number of kernels and add new kernels when necessary. For instance, in [19], the kurtosis is used as a measure of non-Gaussianity yielding a test for splitting a kernel in one-dimensional data. In [20] this method is extended to the multi-dimensional case. This approach has the same drawbacks, because kurtosis is very sensitive to outliers. In [21] it is proposed a greedy method, which performs a global search in combination with another local search whenever a new kernel is added. In the approach, every data point is considered as a mean of a new candidate component sharing the same covariance matrix. The mixing coefficient is selected maximizing a second order Taylor approximation of the likelihood. The main drawbacks are the complexity for searching over n candidates and the fixed value for covariance matrices that keeps inserting small components in low density areas yielding a poor density representation. In [22] a heuristic for searching for the optimal component to insert is proposed and a set of candidate models is generated in a randomized way.

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Other model-selection methods start with a high number of kernels and proceed to fuse them. In [23][24][11], the EM algorithm is initialized with many kernels randomly placed and then the Minimum-description length principle (MDL) [25] or Minimum-message length principle (MML) [26] is applied to iteratively remove some of the kernels until the optimal number of them is found. In [27], the proposed algorithm is allowed both to split and fuse kernels. Kernel fusion arises when many patterns have the same posterior probability and splitting is driven by the Kullback-Leibler divergence between a component density and empirical density in the neighborhood of the component. In this approach, the number of components remains constant. In [28][29] a general statistical learning framework called the Bayesian Ying-Yang system is proposed and it is suitable for using model selection and unsupervised learning of finite mixtures. Other approaches combine both the EM and genetic algorithms for learning mixtures [30] with the MDL principle as criterion for selecting the optimal number of components [31]. In this paper, we propose a method that starting with only one kernel, finds the maximum-likelihood solution. In order to do so, it tests whether the underlying pdf of each kernel is Gaussian and otherwise it replaces that kernel with two kernels adequately separated from each other. In order to detect non-Gaussianity we compare the entropy of the underlying pdf with the theoretical entropy of a Gaussian. After the kernel with worse degree of Gaussianity has been splited in two, new EM steps are performed in order to obtain a new maximum-likelihood solution. The algorithm is initialized with a unique kernel whose parameters of average and covariance are given by the sample. Consequently, the algorithm is not prone to initialization, overcoming the local convergence of the usual EM algorithm. In the next sections we will describe two different entropy estimation techniques to test whether a given kernel describes properly the underlying data and two different criterions two estimate the optimal number of kernels. Early and encouraging experiments with this method have been presented in [32]. The paper is organized as follows: In section II, we review the basic principles of entropy and how we can estimate it from a finite set of patterns. In subsection II-A we present a method based on Parzen’s Windows. In subsection II-B, we introduce Entropic Spanning Graphs and how they can be related with the estimation of R´enyi’s entropy of order α and how Shannon entropy can be estimated through it. In section III, we present our maximum-entropy based criterion approach and the modified EM algorithm that exploits it. In section IV, we show some experimental results. Conclusions and future work are presented in Section V. II. E NTROPY E STIMATION Entropy is a basic concept in Information Theory (IT) [33]. For a discrete variable Y with y1 , ..., yN the set of values, we have: H(Y ) ≡ −Ey [log(p(Y ))] = −

N X i=1

p(Y = yi ) log p(Y = yi ). (10)

A fundamental result of IT, known as 2nd Gibbs Theorem [34], is that Gaussian variables have the maximum entropy among all the variables with equal variance. Consequently the entropy of the underlying distribution of a kernel should reach a maximum when such a distribution is Gaussian. This theoretical maximum entropy is given by: 1 log[(2πe)d |Σ|]. (11) 2 Then, in order to decide whether a given kernel is truly Gaussian or must be replaced by two other kernels, we compare the estimated entropy of the underlying data with the entropy of a Gaussian. The estimation of the Shannon entropy of a probability density given a set of samples has been studied widely in the past [35][36][37][38][39][40]. Most of current nonparametric entropy and divergence estimation techniques are based on the estimation of the density function followed by substitution of these estimates into the expression for entropy. This method has been widely applied to the estimation of the Shannon entropy and is called “plug-in” estimation [35]. Other methods of Shannon entropy estimation include sample spacing estimators, restricted to d = 1, and estimates based on nearest neighbor distances. In [41] an alternative method for entropy and divergence estimation based on using Entropic Spanning Graphs is presented. It is considered as “non plug-in” methods, because the entropy is directly estimated from a set of samples of the pdf, by-passing the non-parametric density estimation. In the next sections we present two different approaches for entropy estimation, based on “plug-in” (Parzen’s Windows) and “non plug-in” (Entropic Spanning Graphs) methods. Each method has its own advantages and drawbacks. On one hand in the “plug-in” Parzen’s Windows approach, problems arise due to the infinite dimension of the spaces in which the unconstrained densities lie. Specifically: density estimator performance is poor without stringent smoothness conditions; no unbiased density estimators generally exist; density estimators have high variance and are sensitive to outliers; the high dimensional integration required to evaluate the entropy might be difficult. On the other hand, the Entropic Spanning Graphs based method circumvents the curse of the dimensionality but it does not estimate Shannon entropy directly and a new technique to obtain it must be developed. Hmax (Y ) =

A. Entropy Estimation with Parzen’s Windows The Parzen’s windows approach [42] is a non-parametric method for estimating pdfs for a finite set of patterns. The general form of these pdfs is p∗ (Y, a) ≡

1 X Kψ (y − ya ), Na y ∈a

(12)

a

where a is a sample of the variable Y , Na is the size of the sample, and K(.) is normally a diagonal gaussian kernel of width ψ and centered in ya . In [37] it is proposed a method for adjusting the widths of the kernels using maximum likelihood. Given the definition of entropy in 10, and applying

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the Asymptotic Equipartition Property (AEP), which is the analog of the law of large numbers in IT, we have: Hb (Y ) ≡ −Eb [log(p(Y ))] = 1 X 1 − log(p(yb )) = − log(`(b)), (13) Nb Nb yb ∈b

where `(b) is the likelihood of the data. As maximizing likelihood is equivalent to minimize entropy, this approach consists of estimating the derivative of entropy with respect to the widths of the kernels, and performs a gradient descent towards the optimal widths:

Fig. 2.

Representing entropy as a function of the widths of the Parzen’s

kernels. ∂ H ∗ (Y ) = (14) ∂σd    X X Kψ (yb − ya ) 1 [yb − ya ]2d 1 X P = −1 ST LM (Xn ) = min ||e||γ (18) Nb Kψ (yb − ya ) σd σd2 γ y ∈a a y ∈a yb ∈b a M (Xn ) e∈M (X ) n (15) being σd the standard deviation in each dimension. In with γ∈ (0, d) y ||e|| the Euclidean distance between graph order to guarantee that the algorithm does not stop in a local vertices. The MST has been used as a way to test for minimum, a modification of the original proposal in [37] has randomness of a set of points. In [43] it was showed that been made. It consists of using an adaptive parameter λ which in d-dimensional feature space, with d ≥ 2: monotonically decreases during the algorithm.   d Lγ (Xn ) Given the optimal widths of the kernel, the entropy is Hα (Xn ) = ln − ln βLγ ,d (19) γ nα estimated by

1 X 1 X H (Y ) = log( Kψ (yb − ya ))), Nb Na y ∈a ∗

yb ∈b

(16)

a

In Fig. 2 we show the entropy estimation obtained for a sample of a 2D Gaussian variable with covariance matrix Diag{0.36, 0.09}, for different widths. The approximation of the maximum entropy defined in 11 is 1.12307. From the shape of the function it can be deduced that the optimal widths lay in a wide interval and consequently their choice is not so critical. However as the widths tend to zero, the density of the data that are not in the set a tends to zero and consequently the entropy tends to +∞. B. R´enyi’s Entropy and Entropic Spanning Graphs Entropic Spanning Graphs obtained from data to estimate R´enyi’s α-entropy[41] belong to the “non plug-in” methods for entropy estimation. R´enyi’s α-entropy of a probability density function p is defined as: Z 1 Hα (p) = ln pα (z)dz (17) 1−α z for α ∈ (0, 1). The α entropy converges to the Shannon R entropy limα→1 Hα (p) = H(p) ≡ − p(z) ln p(z)dz, so it is possible to obtain the second one from the first one if the latter limit is solved or approximated. A graph G consists of a set of vertices Xn = {x1 , ..., xn }, with xn ∈ Rd and edges {e} that connect vertices in graph: eij = (xi , xj ). If we denote by M (Xn ) the possible sets of edges in the class of acyclic graphs spanning Xn (spanning trees), the total edge length functional of the Euclidean power weighted Minimal Spanning Tree is:

is an asymptotically unbiased, and almost surely consistent, estimator of the α-entropy of p where α = (d − γ)/d and βLγ ,d is a constant bias correction depending on the graph minimization criterion, but independent of p. Closed form expressions are not available for βLγ ,d , only known approximations and bounds: (i) Monte Carlo simulation of uniform random samples on unit cube [0, 1]d ; (ii) Large d approximation: (γ/2) ln(d/(2πe)) in [44]. Changing α = (d − γ)/d implies recomputing Hα (p) only by changing the exponent of the Euclidean distances and hence recomputing only the total length in 19. We are interested in recomputing α in the neighborhood of the unit to estimate the Shannon entropy. However, Entropic Spanning Graphs are suitable for estimating α-entropy only within α ∈ [0, 1[. In [45] lower and upper bounds for the Shannon entropy are provided by analyzing relations between such entropy and R´enyi entropies of integer order (specially of order two and tree). In [46] Mokkadem constructed a nonparametric estimate of the Shannon entropy from a convergent sequence of αentropy estimates. We have experimentally observed (see Fig. 3top-left) that the shape of the function does not depend neither on the nature of data nor on their size. It decreases monotonically with the same slope. Thus, from a value of α ∈ [0, 1[, we can calculate the tangent line y = mx + b to Hα in this point, 0 using m = Hα , x = α and y = Hα . In any case, this line will be continuous and we will be able to calculate its value for x = 1. From now on, we will call α∗ to the α value that generates the correct entropy value in α = 1, following the described procedure. As Hα is a monotonous decreasing function, we can estimate α∗ value in the Gaussian case by means of a dichotomic search between two well separated α

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Fig. 3. Top-Left: Hα for Gaussian distributions with different covariance matrices. Top-Right: α∗ for dimensions between 2 and 5 and different number of samples. Bottom-Left: comparison of entropy estimation with MST vs real entropy for Gaussian distributions. Bottom-Right: MST vs Parzen method for bi-modal distributions.

values for a constant number of samples, problem dimension and different covariance matrices. Experimentally, we have verified that α∗ is almost constant for diagonal covariance matrices with variance value greater than 0.5. Fig. 4 shows the estimation of α∗ for pdfs with different covariance matrices and 400 samples. In order to appreciate the effects of the dimension and the number of samples on the problem, we calculated α∗ for a set of 1, 000 distributions with random 2 ≤ d ≤ 5 and number of samples. Experimentally we have verified that the shape of the underlying curve adjusts properly to the following function: α∗ = 1 −

a + b × ecD , N

(20)

where N is the number of samples, D is the problem dimension and a, b, c are three constants to estimate. In order to estimate these values, we used Monte Carlo Simulation, minimizing the mean square error between expression and data. We obtained a = 1.271, b = 1.3912 and c = −0.2488. Fig. 3 on the right hand shows α∗ for different dimension an number of samples. C. Checking the quality of the estimation In order to check the quality of the estimation we have performed several experiments with different number of samples, dimensionality and covariance matrices. Fig. 3 (Bottom-Left) shows the results obtained in an experiment consisting of the random generation of 1, 000 4D Gaussian distributions with a number of observations between 100 and 800 and diagonal covariance matrix with variances between 0.5 and 10.5 in each dimension. All the parameters of the distributions thus generated are also obtained randomly. We have compared the values with the ones obtained applying 11. For the representation of the graph the section of entropies with values between 7 and 10.5 has been selected. The results show that our approach

Fig. 4. α∗ 2D for different covariance values and 400 samples. Value remains almost constant for variances greater than 0.5

agrees with a very high precision with the real value obtained from the formula. Next, we have tested the estimation in the non-Gaussian case. We have generated 1, 000 bi-modal distributions with a number of samples between 100 and 1, 000. Since in this case it is not possible to directly calculate the value of the real entropy, the results have been compared with those obtained with the Parzen Windows method. The variances for each one of statistical modes of the distributions were between 5 and 25. Fig. 3 (bottom-right) shows the results. This time, the regression straight line is over the main diagonal, indicating that the value estimated by the Parzen Windows method is slightly over the MST. In addition, we observed that for a small data set the MST offers lower values of entropy than Parzen Windows, obtaining very similar values when the number of data is greater than 800. This is explained by the fact that the estimation of the optimal widths in Parzen is made by means of a gradient descend. In [47] the author suggested that the

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estimation obtained by this method could be an upper bound of the real entropy. We have also tested that the MST method is more accurate when the number of samples is low as it is not necessary to sub-divide the data set before estimating the pdf. Furthermore, the curse of dimensionality precludes “plug-in” methods from being used in high dimensional feature spaces. The main drawback is that MST is more sensitive to outlier contamination, but the problem is solved introducing a robustification via the K-MST [48] that rejects an increasing number of outliers from the contaminated density. III. E NTROPY- BASED EM A LGORITHM Comparing the estimations given for 11 with 16 and 19, we have a way of quantifying the degree of Gaussianity of a given kernel. When the EM algorithm ends and a Kcomponent mixture is obtained, we apply one of the stopping criterions proposed later in the paper. If the stopping criterion is not satisfied, we select the kernel with the lowest individual ratio and it is replaced by two other kernels that are conveniently placed and initialized. Then, a new EM with K + 1 kernels starts in order to obtain a new maximum-likelihood solution. Next, we describe the two different criteria employed to automatically select the optimal order of the model. A. Gaussianity deficiency of the mixture

be replaced by two other kernels. The selection of the kernel is performed according to the following expression:   (Hmax (k) − Hreal (k)) . k = arg max πk k Hmax (k) ∗

(23)

B. Minimum description length It is known that maximum-likelihood criterion with respect to the number of kernels is not useful to estimate the order of the model because it tends to use a kernel to describe each pattern. Several model selection criteria have been proposed to estimate the number of kernels of a mixture like Bayesian Inference Criterion (BIC) [49], Akaike’s Information Criterion (AIC) [50], Minimum Description Length (MDL) [25] or Minimum Message Length (MML) [26]. Minimum Description Length and related principles choose a representation of the data that allows us to express them with the shortest possible message from a postulated set of models. In [25] it is shown that the optimal code-length for each parameter, asymptotically for large n, is 1/2 log n, so we can define a model order selection criterion from the loglikelihood plus and additional term whose role is to penalize an excessive number of components:

CM DL (Θ(k) , k) = −L(Θ(k) , y) +

N (k) log n, 2

(24)

As mentioned above, for every kernel in the mixture we can evaluate the theoretical maximum entropy if the underlying data were truly Gaussian and the real entropy by means of some of the methods proposed previously. Then, the maximum entropy of the mixture is given by

where N (k) is the number of parameters required to define a k-component mixture. If we use an unconstrained covariance matrix for kernels then N (k) is:

K X

  d(d + 1) N (k) = (k − 1) + k d + 2

Hmax (Y ) =

πk Hmax (k).

(21)

(25)

k=1

Then, we define the Gaussianity Deficiency GD of the mixture as: GD

= Hmax (Y ) − Hreal (Y )   K X Hmax (k) − Hreal (k) = πk Hmax (k) k=1   K X Hreal (k) = πk 1 − , Hmax (k)

(22)

k=1

where Hreal (k) is the real entropy of the data under the k−th kernel. Such entropy is estimated by one of the methods presented above. The latter expression has lower and upper bounds: 0 ≤ GD ≤ 1. However, 0 would be only reached when data were truly Gaussian. If the ratio GD is below a given threshold we consider that all kernels are well fitted. Otherwise, we select the kernel with the highest individual ratio and it is replaced by two other kernels that are conveniently placed and initialized. Then, a new EM with K + 1 kernels starts. A high GD local ratio indicates that multi-modality arises and thus the kernel must

C. The splitting process In the split step the original covariance matrix needs to generate two new matrices with two restrictions: overall dispersion must remain almost constant and the new matrices must be positive definite. In [51], Richardson and Green developed a methodology for univariate Gaussian mixtures by using a RJMCMC (Reversible Jump Monte Carlo Markov Chain) algorithm based on a series of combine-split moves that rely on moment matching. They propose a “combine move” consisting on picking up randomly two kernels and merging them into one, whereas the “split move” consists of splitting a randomly chosen kernel into two new ones. In their approach they suggested the constraints of preserving the first two statistical moments before and after the combine and split moves. From the definition of mixture in 1, considering that the k∗ component is the one with highest GD, it must be decomposed into the k1 and k2 components with parameters Θk1 = (µk1 , Σk1 ) and Θk2 = (µk2 , Σk2 ). In multivariate settings, if we follow the constraints, the corresponding priors, the mean vectors and the covariance matrices should satisfy the following split equations:

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uj2

Fig. 5.

u1 ∼ β(2, 2), u12 ∼ β(1, 2d), ∼ U (−1, 1), u13 ∼ β(1, d), uj3 ∼ U (0, 1)

(28)

with j = 2, ..., d. and β(., .) denotes a Beta distribution. A graphical description of the splitting process in the 2D case is showed in Fig.5. Directions and magnitudes of variability are defined by eigenvectors and eigenvalues of the covariance matrix.

2-D Example of splitting one kernel into two new kernels.

D. Algorithm π∗ = π1 + π2 π∗ µ∗ = π1 µ1 + π2 µ2 π∗ (Σ∗ + µ∗ µT∗ ) = π1 (Σ1 + µ1 µT1 ) + π2 (Σ2 + µ2 µT2 ) (26) Clearly, the split move is an ill-posed problem because the number of equations is less than the number of the unknowns. In multivariate settings, it is very difficult to solve this problem due to need for constructing many free parameters and keeping the positive definiteness of the covariance matrix. In [52] a spectral representation of the symmetric positive definite matrix is performed and the covariance matrix is decomposed into two parts: an eigenvector matrix and an eigenvalue matrix, but all covariance matrices in the mixture are restricted to share a common eigenvector matrix. Recently, in [53], where the RJMCMC approach is followed, a spectral decomposition of the actual covariance matrix is performed and the original problem is replaced by estimating the new eigenvalues and eigenvectors of new covariance matrices without the previously cited restriction. Let Σ∗ = V∗ Λ∗ V∗T be the spectral decomposition of the covariance matrix Σ∗ , with Λ∗ = diag(λj∗1 , ..., λj∗d ) a diagonal matrix containing the eigenvalues of Σ∗ with increasing order, being ∗ the component with the lowest entropy ratio, π∗ , π1 , π2 the priors of both original and new components, µ∗ , µ1 , µ2 the means and Σ∗ , Σ1 , Σ2 the covariance matrices. Let also be D a dxd rotation matrix with orthonormal unit vectors as columns. D is built by generating its lower triangular matrix independently from d(d − 1)/2 different uniform U (0, 1) densities. The proposed split operation is given by: π1 = u 1 π∗ π2 = (1 − u1 )π∗ q p Pd µ1 = µ∗ − ( i=1 ui2 λi∗ V∗i ) ππ21 q p Pd µ2 = µ∗ + ( i=1 ui2 λi∗ V∗i ) ππ12

(27)

Λ1 = diag(u3 )diag(ι − u2 )diag(ι + u2 )Λ∗ ππ∗1 Λ2 = diag(ι − u3 )diag(ι − u2 )diag(ι + u2 )Λ∗ ππ∗2 V1 = DV∗ V 2 = D T V∗ where, ι is a d x 1 vector of ones, u1 , u2 = (u12 , u22 , ..., ud2 )T and u3 = (u13 , u23 , ..., ud3 )T are 2d+1 random variables needed to build priors, means and eigenvalues for the new component in the mixture. They are calculated as

This section describes in detail the proposed EM algorithm for fitting Gaussian mixture models. We call it EBEM (Entropy-based EM algorithm) because entropy is used as test of Gaussianity. The algorithm starts with only one kernel, whose initial parameters are given by the sample. As is shown in [54], if we denote y1 , y2 , ..yN a set of samples of a pdf, the maximum likelihood hypothesis for the mean is: µ1 =

N 1 X yi N =1

(29)

similarly, the covariance matrix is Σ1 = [Sjk ]d×d being N

Sjk =

1 X j (y − µji )(yik − µki ) N − 1 i=1 i

(30)

with j, k = 1, 2, . . . , d and being d the problem dimension. Furthermore, the initial value for first prior π1 is 1, as we start with only one kernel fitting all the data. Next we compute EM steps until the log-likelihood is under CONVERGENCE TH and then we test if one of the stopping criterions detailed previously is reached: • If the Gaussianity Deficiency criterion is selected, we evaluate Hreal (Y ) and Hmax (Y ) and GD as detailed in expressions 21 and 22 using one of the two methods proposed for entropy estimation: Parzen Windows or Minimal Spanning Trees. If GD is above ENTROPY TH, data is not fitted properly with the current number of components, so the kernel k ∗ with lower individual ratio is selected, splitted and initialized. • Otherwise, if the MDL based criterion is selected, we have an energy function evaluated every time the EM ends due to the CONVERGENCE TH threshold for the current K. The function yields a minimum when k is optimal, so we can compare, the current value for K kernels with the previous value for K − 1. If the new value is greater than the previous one, then the algorithm ends and K − 1 is the optimal number of kernels. In both cases, on behalf of GD the worst fitted kernel k ∗ (as expressed in 23) is replaced for two new kernels, k1 y k2 with initial parameters Θ1 and Θ2 , obtained as detailed in section III-C. Next, a new iteration i + 1 with new EM steps starts for a mixture with K + 1 components. The initial values for the K − 1 kernels not affected by the splitting process are the same that those obtained in the i−th iteration. The process described above continues until GD is below a threshold ENTROPY TH or the MDL-based energy function

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stops decreasing. Fig. 6 shows a detailed algorithmic description of the process. The required input parameters are: the loglikelihood threshold CONVERGENCE TH and the GD threshold ENTROPY TH if the stopping criterion is GD. The initial values for parameters of the first kernel Θ(0) = {θ1 , π1 }, are given by the sample. As a result, we get the optimal number of kernels K and the set of parameters for each kernel Θ∗ . When C(Θ(i)) at the i−th iteration is greater than the value at iteration i−1, then the optimal value is just the one obtained at iteration i − 1, so K = K − 1 y Θ∗ = Θ(i − 1) for the MDL-based stopping criterion. This way, only the last and the previous values of the parameters must be stored. As we show later in the experiments section, in both versions of EBEM the energy function decreases monotonously for values between one and the optimal. IV. E XPERIMENTS AND DISCUSSION

Fig. 7. Left: Evolution of our algorithm from 1 to 5 final kernels (images 1-5). After few iterations the algorithm finds correctly the number of kernels. Right: Evolution of the cost function with MDL criterion (last image of the sequence)

In order to test our approach we have performed several experiments with synthetic and image data. We have tested both the Gaussianity Deficiency and the MDL-based stopping criteria and the “plug-in” and “non plug-in” entropy estimation methods. A. Density Estimation In the first experiment we have generated 2, 500 samples from 5 bi-dimensional Gaussians with different prior probabilities, averages and covariance matrices. We have ran the algorithm twice, each one with a different stopping criterion. For the GD criterion we set the deficiency threshold, EN TROPY TH , to 0.10. The convergence threshold for the EM algorithm was 0.0001. In both, “plug-in” and “non plug-in” entropy estimation approaches our algorithm converges after 30 iterations finding correctly K = 5. In order to evaluate the robustness of the proposed algorithm, several outliers were added to the data set. The sample size for estimating entropy through Parzen has been 75. We have found that despite this small size, entropy estimation is good enough. The parameters for the generation of the mixture were:     0.20 0.00 0.60 0.15 Σ1 = , Σ2 = , 0.00 0.30 0.15 0.60     0.40 0.00 0.60 0.00 Σ3 = , Σ4 = , 0.00 0.25 0.00 0.30   0.20 0.00 Σ5 = . 0.00 0.30 πk = 0.2 µ1 = [−1, −1]T , µ2 = [6, 3]T , µ3 = [3, 6]T µ4 = [2, 2]T , µ5 = [0, 0]T

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In Fig. 7 we show the evolution of the algorithm. The algorithm starts with only one kernel with average and covariance matrix obtained from data and it selects the correct number of them after a few iterations. The last image in the figure shows the evolution of the cost function with a minimum value at 5.

Fig. 8. Depending on the initial random values and component annihilation in [11] the method may fail (first row). The MML-based energy function generates its minimum value in 5. The second row show the results obtained with EBEM. The energy function has the minimum value in 4.

B. Comparison with other methods To compare our method with other EM-based methods reviewed in section I-C, we have selected both the algorithm presented in [11] and [22] which represent the state-of-theart of order selection methods in mixtures. The first relies on a novel formulation of MML and introduces high robustness in the EM initialization phase. Fig. 9-top shows the evolution of our algorithm in the case where the mixture components overlap. This is a very difficult example because two of the four components of the mixture share a common mean and have different covariance matrices and one component includes other two components. The parameters of the mixture are:     1 0.5 6 −2 Σ1 = , Σ2 = , 0.5 1 −2 6  Σ3 =

2 −1 −1 2



 , Σ4 =

0.125 0

0 0.125



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EBEM ALGORITHM Input: CONVERGENCE TH, ENTROPY TH (only if StopCriterion = ’GD’). Output: Optimal mixture model: K, Θ∗ K ← 1, i ← 0, π1 = 1, Θ1 ← {µ1 , Σ1 } Given by the sample. PN PN y , Σ1 = [Sjk ]d×d , Sjk = N 1−1 i=1 (yij − µji )(yik − µki ), and j, k = 1, 2, ..d µ1 = N1 i=1 i Final ← false repeat i←i+1 repeat PN PN PN p(k|yn )(yn −µk )(yn −µk )T p(k|yn )yn π p(y(n) |k) n=1 n=1 P PN p(k|yn ) = ΣK k π p(y(n) |k) , πk = N1 p(k|y ), µ = , Σ = k k N n n=1 p(k|yn ) p(k|yn ) j=1 j n=1 n=1 Estimate log-likelihood in iteration i: PN PK `(Y |Θ(i)) = n=1 log k=1 πk p(yk |Θ(i)k ) until: |`(Y |Θ(i)) − `(Y |Θ(i − 1))| < CONVERGENCE TH Evaluate Hreal (Y ) and Hmax (Y ) if (StopCriterion=’MDL’) then Select k∗ with the n highest ratio o real (k)) k∗ = arg maxk πk (HmaxH(k)−H max (k)

Estimate CM DL in iteration i  N (k) = (k − 1) + k d + d(d+1) 2 CM DL (Θ(i)) = −`(Y |Θ(i)) + N 2(k) log n if (C(Θ(i)) ≥ C(Θ(i − 1))) Final ← true K ← K − 1, Θ∗ = Θ(i − 1) else Decompose k∗ en k1 y k2 if (StopCriterion=’GD’) then Evaluate Gaussianity  Deficiency GD GD =

PK

k=1

πk 1 −

Hreal (k) Hmax (k)

if (GD > ENTROPY TH) Select k∗ with the n highest ratio

real (k)) k∗ = arg maxk πk (HmaxH(k)−H max (k)

o

Decompose k∗ into k1 y k2 else Final ← true Θ∗ = Θ(i) until: Final = true Decomposing procedure Initialize parameters Θ1 and p Θ2 p π p Pd Pd p i µ1 = µ∗ − ( i=1 u2 λi∗ V∗i ) π21 , µ2 = µ∗ + ( i=1 ui2 λi∗ V∗i ) ππ12 Λ1 = diag(u3 )diag(ι − u2 )diag(ι + u2 )Λ∗ ππ∗1 , Λ2 = diag(ι − u3 )diag(ι − u2 )diag(ι + u2 )Λ∗ ππ∗2 V1 = DV∗ , V2 = DT V∗ π1 = u1 π∗ , π2 = (1 − u1 )π∗ K ←K +1

Fig. 6.

Entropy-based EM algorithm.

π1 = π2 = π3 = 0.3, π4 = 0.1 µ1 = µ2 = [−4, −4]T , µ3 = [2, 2]T , µ4 = [−1, −6]T

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In [11] the algorithm starts with 25 kernels randomly initialized. We have ran the algorithm several times with the MML criterion and we have compared the results with the ones obtained with our method. In our experiment, the sample size for estimating entropy through Parzen has been 100 and the

stopping criterion was MDL. This way, the process stops one iteration after the optimal order of the model was obtained. We argue below that although both methods depend on setting a parameter (except EBEM with MDL), EBEM outperforms those based in similar criterions [23] [11] starting with a high number of kernels: •

We do not require a random initialization of multiple kernels and different executions provide always the same results. First row in Fig. 8 shows one of the executions

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where the method in [11] failed and the minimum value found for the cost function was 5 instead of 4. We have checked that this fail is partially due to a wrong random initialization and also partially due to the part of the algorithm which annihilates components with low support instead or removing redundant kernels. In 35 of 50 executions, the smaller component that was already well fitted to a set of data was erroneously dropped, instead of an unnecessary greater kernel almost entirely overlapping to another one. This latter effect can be seen in more detail in experiment of Fig. 9. The algorithm was initialized with 25 randomly placed kernels in all executions. In EBEM we only perform splitting. Our method does not explore all the candidate models between Kmax and one to determine the minimum value of the cost function. As we evaluate the cost function only when EM algorithm has reached the convergence threshold for the current number of components, the cost function shows a monotonically decreasing behavior for values between 1 ≤ k ≤ K ∗ , but local minimum can appear for values between K ∗ ≤ k ≤ Kmax . Regarding computational efficiency, as we start with just one kernel, our approach needs K + 1 executions of the EM algorithm (k = 1, 2, ..., K, K + 1), with K the optimal number of kernels instead of Kmax with Kmax the initial number of components whose value is:

log(CONVERGENCE TH) (33) log(1 − πmin ), with πmin the probability of the least probable component. Next, we perform the experiments illustrated in Fig. 7 and Fig. 9-top with the method proposed in [22]. In the first case, we executed 50 times the algorithm with a ratio of success of 100% yielding a 5 component mixture after a Cross Validation process. On average, the log likelihood was −2.235, almost the same than with EBEM −2.219, so both methods obtain similar results. Last, we executed the greedy method with the more difficult data set of Fig. 9-top with overlapped components. In 22 of 50 executions the algorithm yields a local maxima of the likelihood function. The m parameter was established at 10, as suggested by authors. Also we executed the MST entropy estimation version of EBEM with the MDL order selection criteria. Again, EBEM finds always the maximum of the likelihood function. We think the main drawback of the greedy method is the heuristic criteria used to include new kernels in the mixture. The approach performs a global search for the optimal new component by starting km partialEM searches with different initial configurations. They pick that candidate component maximizing the likelihood when it is mixed into the previous mixture. The problem is that the random search can introduce the new kernel in a zone in the space of data far from the one where data is not fitted properly with the current number of components (Fig. 10). Thus, EM can not be able to reach the maximum of the likelihood function for the current number of kernels. The problem is urged when the kernels are overlapped. The average likelihood of the greedy method for the executions yielding the right solution was −4.291 whereas

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Fig. 9. Fitting a Gaussian mixture with overlapping kernels. Top: Evolution of the algorithm in [11]; a component is annihilated in K = 4, instead of removing one of the two redundant kernels at the top of the image. However, such removed component is recovered in K = 5 yielding a wrong solution. Bottom: Our algorithm ends with the optimal number of kernels (4).

Kmax >

Fig. 10. Results of running the greedy method with the overlapped data set. Top-left: correct solution. Rest of images: some of the 22 executions where the greedy method yields a local maxima. The problem occurs when the random search introduce the new kernel in a zone far from the one where data is not fitted properly and EM is not able to obtain the maximum likelihood solution.

with EBEM was −4.295. Again, both methods obtain similar results but with different ratio of success. The computational cost of the greedy method is O(k 2 n + kmn) after the application of a lower bound of the true loglikelihood. The MST-based version of EBEM has a cost of O(k(k + 1)n log n) as a result of estimating the MST. The cost of EBEM is a factor of log n greater than the greedy method, but in most of the examples, log n  m as well as EBEM estimates directly the order of the model whereas the greedy method requires too add the computational cost of the cross validation process. C. Color image segmentation We have also tested our algorithm in color image segmentation. Segmentation is a pre-requisite to solve many computer vision problems, such as image classification, retrieval and object recognition. There are two principal approaches for image segmentation, supervised and unsupervised. The unsupervised approach consists of dividing a color image into into several homogeneous regions automatically based on any similarity measure. This is the most challenging approach. Probabilistic models like Bayesian statistics [55][56]

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or Markov Random Fields [57] are typically used. In [58] mixtures of Gaussians are used to model textured colors and an image segmentation by data-driven Markov Chain Monte Carlo method is presented. In [59] a split and merge EM based Gaussian mixture algorithm is used but the k-means method is needed as initialization technique. Besides, the total number of components (colors in the image) is unchanged and previously established by means of a Bayesian inference criterion (BIC) because the algorithm is unable to determine the number of components. Our image model is simple: at each pixel j in the original image we compute a 3-dimensional feature vector yj with the components in the normalized RGB color space. As a result of our algorithm we obtain the number of components (classes) K and yj ∈ {1, 2, ..., K} to indicate from which class the pixel j came. Therefore our model sets that each pixel is generated by one of the Gaussian densities in the Gaussian mixture model. For every point in the original image yj , we obtain the kernel K in the resulting mixture with maximum value for p(k|Θj ). Let m(yj ) be the class from yj came; applying The Bayes Theorem we have: m(yj ) = arg max {πk p(yj |Θk )} . k

Fig. 11. Evolution of the color image segmentation process from different Gaussianity thresholds.

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In order to test our approach we have performed several experiments with color images. The first experiment shows the detailed process of color image segmentation using EBEM. Fig. 11 shows the evolution of the algorithm for different GD thresholds that originate an increasing number of kernels (colors) in the resulting segmented images. First column shows the segmented image for a number of kernels between 2 and 5. As the GD becomes more and more strict, the kernel with lower individual ratio is splitted in two new kernels inserting a new color in the image. When a component is not properly adjusted the color shows different shades of gray, representing a mean value between clearly distinct colors. As the algorithm progresses, this original gray color generates new ones until data is properly fitted (GD is close to the established threshold). For two components, the kernel representing the red color (Baboon’s nose) is properly fitted, but the rest of colors in the image are represented by a gray kernel. In the RGB space, the red color is clearly separated from the rest of colors in the image Baboon. Columns 2 and 3 shows a 3D representation in the RGB space the kernels after execution of the algorithm. Column 2 shows the kernels in 3D. The Red, Green and Blue values are the mean of the component after convergence. Column 3 shows the point cloud (samples) colored with the color associated to the kernel. Even though the overlapped degree of the components, the algorithm detect the different colors in the image and separates them properly. The total number of iterations was 177 and the last GD value for five classes was 0.068. In table I we show a summary of the model parameters for each iteration. First column represents the iteration number in which a kernel splits. The second column represents the current number of kernels in the mixture. Third and fourth columns represent

TABLE I E VOLUTION OF COLOR SEGMENTATION FOR Baboon IMAGE Iteration

K

GD

L

1 2 31 61 121

1 2 3 4 5

0.394 0.210 0.118 0.085 0.068

−5.617 −4.833 −4.593 −4.516 −4.424

the Gaussianity Deficiency value and the normalized loglikelihood respectively. Normalization process is carried out dividing the log-likelihood by the number of samples. In Fig. 12 we show some color image segmentation results with four different images with sizes of 189 × 189 pixels, yielding a set of 35, 721 samples. We have used different entropy thresholds and a convergence threshold of 0.01 for the EM algorithm. The sample size for estimating entropy through Parzen has been 200. We have found that despite this small size, entropy estimation is good enough. Our algorithm converges after few iterations (depending on the selected entropy threshold) finding an increasing number of kernels. Column one shows the original image and columns two, three and four show the resulting segmented image with increasing entropy threshold. The lower it is the demanded threshold the higher is the number of kernels generated and therefore, the number of colors detected in the image. For the sake of studying exclusively the labeling behavior of the algorithm, no post-process, like pixel grouping in regions, has been applied to the resulting images and each point was labeled with the color of the kernel to which it belonged in higher degree. On the other hand, for testing the “non plug-in” approach, a random selection of 1, 000 points has been made to estimate

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Fig. 12. Color image segmentation results. Original images (first column) and color image segmentation with different Gaussianity Deficiency levels (second and third columns.

the MST due to memory problems. The results obtained with both methods are identical. We have also compared EBEM with the Variational EM algorithm proposed in [15]. Authors present a joint maximum likelihood and Bayesian methodology for estimating Gaussian mixture models that can be applied to Color Image Segmentation. Three images, called “Forest”, “Sunset” and “Lighthouse” are segmented employing the proposed methodology after transforming the color coordinate system from RGB to L*u*v*. Again, the input space is three-dimensional (3-D), each pixel representing a vector of three color components. After running the VEM algorithm, a set of hyperparameters corresponding to the variational Gaussian model is obtained. Given these hyperparameters, the a posteriori probabilities for the entire image are calculated in the same way as EBEM 34. The numerical comparison criteria consists of the peak SNR (PSNR), expressed in decibels. PSNR is calculated when converting the color image in a grey-level image and after considering the hypermeans as the reference values for the segmented regions: 

 P SN R = 20 log10  qP

255M

M j=1 (xj

−µ ˆk )2



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where xj denotes the grey-level value at pixel j and µ ˆk is the hypermean estimate that is assigned to that pixel, following the conversion from color to grey level. Fig. 13 shows original images (Col. 1), results obtained with EBEM (Col.2) and results with VEM (Col. 3). The number of mixture components are 5 for “Forest”, 7 for “Sunset” and 8 for “Lighthouse” respectively as proposed in [15]. Table II shows a comparison between results as average of ten different runs of classic EM, Variational EM and

Fig. 13. Comparison of color segmentation between EBEM (Col. 2) and VEM (Col. 3). Original images are showed in Col. 1. TABLE II C OMPARISON BETWEEN C LASSIC EM, VEM AND EBEM IN C OLOR I MAGE S EGMENTATION Algorithm

“Forest” (K=5)

“Sunset” (K=7)

“Lighthouse” (K=8)

Classic EM (PSNR) (dB)

5.35 ±0.39

14.76 ±2.07

12.08 ±2.49

VEM (PSNR) (dB)

10.96 ±0.59

18.64 ±0.40

15.88 ±1.08

EBEM (PSNR) (dB)

14.1848 ±0.35

18.91 ±0.38

19.4205 ±2.11

EBEM where we consider the mean result and the standard deviation for the given results. We can observe that the PSNR for the “Forest” image is smaller than those of the other images for both methods. A higher PSNR means better image segmentation. In all three color images, we obtained not only better segmentation results, according to the PSNR, when

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using the EBEM algorithm instead of the Classic EM, but also EBEM outperforms results of VEM algorithm on average. The computational cost for an iteration of the VEM algorithm is O(nd2 k) for the first initialization stage, where the EM algorithm is run for L iterations, O(Ld2 k 2 ) per iteration for the second stage for a certain number of iterations, until convergence and O(nd2 k) for each iteration of the VEM stage. where n is the number of samples, d is the space dimension, and k is the number of components of the mixture. The computational cost per iteration of EBEM is the same as classic EM: O(nd2 k), clearly lower than VEM. Although EBEM needs calculate entropy after convergence for the current number of kernels, the cost for the MST based estimation is O(n log n) for each kernel, still lower than the complete cost of the variational approximation. In terms of the total number of iterations required until convergence, EBEM needs 14, 32 and 42 for the segmentation of “Forest” (K=5), “Sunset” (K=7) and “Lighthouse” (K=8) respectively. The number of iterations required by VEM for the same images are 5, 9 and 9 respectively, but we must add the cost associated to the two previous stages of the initialization phase, in which two EM processes are executed until convergence. V. C ONCLUSIONS In this paper, we have presented a method for fitting a Gaussian mixture model to a data set and finding the optimal number of kernels for that model. We start the algorithm with only one kernel whose parameters of average and covariance are given by the sample, and then we decide to split it on the basis of the entropy of the underlying probability density function. Consequently, the algorithm is not prone to initialization, overcoming the local convergence of the usual EM algorithm. Our algorithm converges after a few iterations and is suitable for density estimation and unsupervised color image segmentation. The “plug-in” entropy estimation approach is suitable for low-dimensional problems with large data, while the “non plug-in” approach works in high-dimensional settings with a reduced data set. We propose two different stopping criterions: the first is based on the Gaussianity Deficiency of the complete mixture, which is more versatile than fixing the number of kernels beforehand; the second is based on the Minimal Description Length principle. In the context of probability density estimation, experimental results showed that our algorithm outperforms previous methods applied to starting with a high number of kernels and proceeding to fuse them. Compared with previous greedy methods, our approach operates in a similar way, but the efficient initialization process for new components in zones where data was not properly fitted, instead of a heuristic technique, avoids some local maxima convergence of the greedy method. Color image segmentation experiments show that EBEM can be properly used to obtain image with an increasing number of components by means of varying the GD value. Also, EBEM outperforms recently proposed variational ap-

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proximations in terms of PSNR of the resulting images as well as the required computational cost. Finally, although through the paper we have considered only mixtures of Gaussians, the approach can be easily generalizable to other kind of mixtures, provided that EM works in these conditions, because our method relies on entropy disparities. R EFERENCES [1] A. Jain, R. Dubes, and J. Mao, “Statistical pattern recognition: A review,” IEEE Trans. Pattern Anal. Mach. Intell., vol. 22, no. 1, pp. 4–38, 2000. [2] D. Titterington, A. Smith, and U. Makov, Statistical Analysis of Finite Mixture Distributions. Chichester, UK: John Wiley and Sons, 2002. [3] A. Jain and R. Dubes, Algorithms for Clustering Data. Englewood Cliffs, N.J.: Prentice Hall, 1988. [4] T. Hastie and R. Tibshirani, “Discriminant analysis by gaussian mixtures,” Journal of The Royal Statistical Society(B), vol. 58, no. 1, pp. 155–176, 1996. [5] P. D. G. Hinton and M. Revow, “Modeling the manifolds of images of handwriting digits,” IEEE Transactions On Neural Networks, vol. 8, no. 1, pp. 65–74, 1997. [6] R. Streit and T. Luginbuhl, “Maximum likelihood training of probabilistic neural networks,” IEEE Transactions On Neural Networks, vol. 5, no. 5, pp. 764–783, 1994. [7] S. Dalal and W. Hall, “Approximating priors by mixtures of natural conjugate priors,” Journal of The Royal Statistical Society(B), vol. 45, no. 1, 1983. [8] G. Box and G. Tiao, Bayesian Inference in Statistical Models. AddisonWesley, 1992. [9] A. Gelman, J. Carlin, H. Stern, and D. Rubin, Bayesian Data Analysis. London, U.K.: Chapman and Hall, 1995. [10] A. Dempster, N. Laird, and D. Rubin, “Maximum likelihood estimation from incomplete data via the em algorithm,” Journal of The Royal Statistical Society, vol. 39, no. 1, pp. 1–38, 1977. [11] M. Figueiredo and A. Jain, “Unsupervised learning of finite mixture models,” IEEE Trans. Pattern Anal. Mach. Intell., vol. 24, no. 3, pp. 381–399, 2002. [12] D. Husmeier, “The bayesian evidence scheme for regularizing probability-density estimating neural networks,” Neural Computation, vol. 12, no. 11, pp. 2685–2717, 2000. [13] D. MacKay, Introduction to Monte Carlo Methods. MA: MIT Press: Learning in Graphical Models, M.I. Jordan Ed., 1999. [14] Z. Ghahramani and M. Beal, “Variational inference for bayesian mixture of factor analysers.” [15] N. Nasios and A. Bors, “Variational learning for gaussian mixture models,” IEEE Transactions On Man. and Cybernetics, vol. 36, no. 4, pp. 849–862, 2006. [16] ——, “Blind source separation using variational expectationmaximization algorithm,” Int. Conf. Comput. Anal. Images Patterns. Lecture Notes in Computer Science, vol. 2756, pp. 442–450, 2003. [17] G. McLachlan and D. Peel, Finite Mixture Models. John Wiley and Sons, 2000. [18] R. Redner and H. Walker, “Mixture densities, maximum likelihood, and the em algorithm,” SIAM Review, vol. 26, no. 2, pp. 195–239, 1984. [19] N. Vlassis and A. Likas, “A kurtosis-based dynamic approach to gaussian mixture modeling,” IEEE Trans. Systems, Man, and Cybernetics, vol. 29, no. 4, pp. 393–399, 1999. [20] N. Vlassis, A. Likas, and B. Krose, “A multivariate kurtosis-based dynamic approach to gaussian mixture modeling,” 2000, inteligent Autonomous Systems Tech. Report. [21] N. Vlassis and A. Likas, “A greedy em algorithm for gaussian mixture learning,” Neural Processing Letters, vol. 15, no. 1, pp. 77–87, 2000. [22] J. Verbek, N. Vlassis, and B. Krose, “Efficient greedy learning of gaussian mixture models,” Neural Computation, vol. 15, no. 2, pp. 469– 485, 2003. [23] M. Figueiredo, J. Leitao, and A. Jain, “On fitting mixture models,” Energy Minimization Methods in Computer Vision and Pattern Recognition. Lecture Notes in Computer Science, vol. 1654, no. 1, pp. 54–69, 1999. [24] M. Figueiredo and A. Jain, “Unsupervised selection and estimation of finite mixture models,” in International Conference on Pattern Recognition. ICPR2000. Barcelona, Spain: IEEE, 2000. [25] J. Rissanen, “Stochastic complexity in statistical inquiry,” 1989, world Scientific.

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[26] C. Wallace and P. Freeman, “Estimation and inference via compact coding,” Journal of The Royal Statistical Soc. (B), vol. 49, no. 3, pp. 241–252, 1987. [27] N. Ueda, R. Nakano, Z. Ghahramani, and G. E. Hinton, “Smem algorithm for mixture models,” Neural Computation, vol. 12, no. 1, pp. 2109–2128, 2000. [28] L. Xu, “Bayesian ying-yang machine, clustering and number of clusters,” Pattern Recognition Letters, vol. 18, no. 1, pp. 1167–1178, 1997. [29] ——, “Byy harmony learning, structural rpcl, and topological selforganizing on mixture models,” Neural Networks, vol. 15, no. 1, pp. 1125–1151, 2002. [30] A. M. Martinez and J. Vitria, “Learning mixture models using a genetic version of the em algorithm,” Pattern Recognition Letters, vol. 21, no. 1, pp. 759–769, 2000. [31] F. Pernkopf and D. Bouchaffra, “Genetic-based em algorithm for learning gaussian mixture models,” IEEE Trans. Pattern Anal. Mach. Intell., vol. 27, no. 8, pp. 1344–1348, 2006. [32] A. Pealver, F. Escolano, and J. Sez, “Ebem: An entropy-based em algorithm for gaussian mixture models,” in 18th International Conference on Pattern Recognition (ICPR 2006), 20-24 August 2006, Hong Kong, China, 2006, pp. 451–455. [33] T. Cover and J. Thomas, Elements of Information Theory. J. Wiley and Sons, 1991. [34] M. Jones and R. Sibson, What is projection pursuit. The Royal Statistical Society, 1987. [35] E. Beirlant, E. Dudewicz, L. Gyorfi, and E. V. der Meulen, “Nonparametric entropy estimation,” International Journal on Mathematical and Statistical Sciences, vol. 6, no. 1, pp. 17–39, 1996. [36] I. Paninski, “Estimation of entropy and mutual information,” Neural Computation, vol. 15, no. 1, pp. 1191–125, 2003. [37] P. Viola and W. M. Wells-III, “Alignment by maximization of mutual information,” in 5th Intern. Conf. on Computer Vision. IEEE, 1995. [38] P. Viola, N. N. Schraudolph, and T. J. Sejnowski, “Empirical entropy manipulation for real-world problems,” Adv. in Neural Infor. Proces. Systems, vol. 8, no. 1, 1996. [39] A. Hyvarinen and E. Oja, “Independent component analysis: Algorithms and applications,” Neural Networks, vol. 13, no. 4-5, pp. 411–430, 2000. [40] D. Wolpert and D. Wolf, “Estimating function of probability distribution from a finite set of samples,” Phisical Review E, vol. 52, no. 6, 1995. [41] A. Hero and O. Michel, “Applications of spanning entropic graphs,” IEEE Signal Processing Magazine, vol. 19, no. 5, pp. 85–95, 2002. [42] E. Parzen, “On estimation of a probability density function and mode,” Annals of Mathematical Statistics, vol. 33, no. 1, pp. 1065–1076, 1962. [43] A. Hero and O. Michel, “Asymptotic theory of greedy aproximations to minnimal k-point random graphs,” IEEE Trans. on Infor. Theory, vol. 45, no. 6, pp. 1921–1939, 1999. [44] D. Bertsimas and G. V. Ryzin, “An asymptotic determination of the minimum spanning tree and minimum matching constants in geometrical probability,” Operations Research Letters, vol. 9, no. 1, pp. 223–231, 1990. [45] K. Zyczkowski, “Renyi extrapolation of shannon entropy,” Open Systems and Information Dynamics, vol. 10, no. 3, pp. 297–310, 2003. [46] A. Mokkadem, “Estimation of the entropy and information of absolutely continuous random variables,” IEEE Trans. on Inform. Theory, vol. 35, no. 1, pp. 193–196, 1989. [47] P. Viola, “Alignment by maximization of mutual information,” Massachusetts Institute of Technology. Artificial Intelligence Laboratory, Massachusetts, Tech. Rep. 1548, 1995. [48] A. Hero and O. Michel, “Asymptotic theory of greedy aproximations to minimal k-point random graphs,” Communications and Signal Processing Laboratories (CCSPL), Dept. EECS. The University of Michigan. Ann Arbor, MI, 48109-2122 U.S.A., Tech. Rep. 315, 1998. [49] G. Schwarz, “Estimating the dimension of a model,” Annals of Statistics, vol. 6, pp. 461–464, 1978. [50] H. Akaike, “Information theory and an extension of the maximum likelihood principle,” in Second International Symposium on Information Theory, Budapest, 1973, pp. 267–281. [51] S. Richardson and P. Green, “On bayesian analysis of mixtures with unknown number of components (with discussion),” Journal of the Royal Statistical Society B, vol. 59, no. 1, pp. 731–792, 1997. [52] Z. Zhang, K. Chan, Y. Wu, and C. Chen, “Learning a multivariate gaussian mixture models with the reversible jump mcmc algorithm,” Statistics and Computing, vol. 14, no. 1, pp. 343–355, 2004. [53] P. Dellaportas and I. Papageorgiou, “Multivariate mixtures of normals with unknown number of components,” Statistics and Computing, vol. 16, no. 1, pp. 57–68, 2006.

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[54] T. M. Mitchell, Machine Learning. Boston, Massachusetts: Mc GrawHill, 1997. [55] S. Zhu, R. Zhang, and Z. Tu, “Integrating bottom-up for object recognition by data driven markov chain montecarlo,” in CVPR. IEEE, 2000. [56] J. Hornegger and H. Niemann, “A novel probabilistic model for object recognition and pose estimation,” Pattern Recognition Artif. Intell., vol. 15, no. 2, pp. 241–253, 2001. [57] S. Li, Markov random field modeling in computer vision. SpringerVerlagLondon, U.K., 1995. [58] Z. W. Tu and S. C. Zhu, “Image segmentation by datadriven markov chain monte carlo,” IEEE Trans. Pattern Anal. Mach. Intell., vol. 24, no. 1, pp. 657–673, 2002. [59] Z. Zhang, C. Chen, J. Sun, and K. Chan, “Em algorithms for gaussian mixtures with split-and-merge operation,” Pattern Recognition, vol. 36, no. 1, pp. 1973–1983, 2003.

˜ Antonio Penalver received his Master of Science in Computing Science at the University of Alicante, Spain in 1994, and his Ph. Degree in Computer Science at the University of Alicante in 2007. He works as Assistant Professor in the Computing Faculty at Miguel Hern´andez University of Elche, Spain where he teaches courses in Web development and programming and mobile devices applications development. He works in the Software and Computing Systems research group of the Operational Research Institute and he is also a member of Robot Vision Group at Alicante University. His research interests are focused on vision algorithms, robot behaviors and statistical pattern recognition. He is also interesting in the development of applications for mobile devices and elearning techniques.

Francisco Escolano obtained his Bachelors Degree in Computer Science at the Polytechnical University of Valencia (Spain) in 1992 and his Ph Degree in Computer Science at the University of Alicante in 1997. Since 1998, he has been an Associate Professor in the Computer Science and Artificial Intelligence Department at the University of Alicante. He has been post-doctoral fellow with Dr. Norberto M. Grzywacz at the Biomedical Engineering Department at the University of South California in Los Angeles, and he has also collaborated with Dr. Alan L. Yuille at the Smith-Kettlewell Eye Research Institute of San Francisco. Recently, he has visited the Liisa Holm’s Bioinformatics Lab at the University of Helsinki. His research interests are focused on the development of efficient and reliable pattern recognition and computer vision algorithms for biomedical applications, active vision, video-based surveillance and robotics. He is the head of the Robot Vision Group. He co-chaired and organized the 6th TC15IAPR Workshop on Graph-based Representations in Pattern Recognition.

Juan Manuel S´aez obtained his Bachelor and Ph Degree in Computer Science at the University of Alicante in 1999 and 2005 respectively. He is currently Lecturer at the Computer Science and Artificial Intelligence Department at the University of Alicante. His research interests are focused on the development of vision-based algorithms combined with 3D range data for robot applications, wearable devices and 3D modeling. He is a member of Robot Vision Group.

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