Optimal rates of convergence for sparse covariance matrix estimation
T. Tony Cai, Harrison H. Zhou
Introduction
Minimax risk is one of the most widely used benchmarks for optimality, and substantial efforts have been made on developing minimax theories in the statistics literature. A key step in establishing a minimax theory is the derivation of minimax lower bounds and several effective lower bound arguments based on hypothesis testing have been introduced in the literature. Well-known techniques include Le Cam’s method, Assouad’s lemma and Fano’s lemma. See Le Cam (1986) and Tsybakov (2009) for more detailed discussions on minimax lower bound arguments.
Driven by a wide range of applications in high dimensional data analysis, estimation of large covariance matrices has drawn considerable recent attention. See, for example, Bickel and Levina (2008a, 2008b), El Karoui (2008), Ravikumar et al. (2008), Lam and Fan (2009), Cai, Zhang and Zhou (2010) and Cai and Liu (2011). Many theoretical results, including consistency and rates of convergence, have been obtained. However, the optimality question remains mostly open in the context of covariance matrix estimation under the spectral norm, mainly due to the technical difficulty in obtaining good minimax lower bounds.
In this paper we consider optimal estimation of sparse covariance matrices and establish the minimax rate of convergence under a range of matrix operator norm and Bregman divergence losses. A major focus is on the derivation of a rate sharp lower bound under the spectral norm loss. Conventional lower bound techniques such as the ones mentioned earlier are designed and well suited for problems with parameters that are scalar or vector-valued. They have achieved great successes in solving many nonparametric function estimation problems which can be treated exactly or approximately as estimation of a finite or infinite dimensional vector and can thus be viewed as “one-directional” in terms of the lower bound arguments. In contrast, the problem of estimating a sparse covariance matrix under the spectral norm can be regarded as a truly “two-directional” problem where one direction is along the rows and another along the columns. It cannot be essentially reduced to a problem of estimating a single or multiple vectors. As a consequence, standard lower bound techniques fail to yield good results for this matrix estimation problem. New and more general technical tools are thus needed.
In the present paper we first develop a minimax lower bound technique that is particularly well suited for treating “two-directional” problems such as estimating sparse covariance matrices. The result can be viewed as a simultaneous generalization of Le Cam’s method in one direction and Assouad’s lemma in another. This general technical tool is of independent interest and is useful for solving other matrix estimation problems such as optimal estimation of sparse precision matrices.
In the special case of , a matrix in has at most nonzero off-diagonal elements on each column.
The problem of estimating sparse covariance matrices under the spectral norm has been considered, for example, in El Karoui (2008), Bickel and Levina (2008b), Rothman, Levina and Zhu (2009) and Cai and Liu (2011). Thresholding methods were introduced, and rates of convergence in probability were obtained for the thresholding estimators. The parameter space given in (1) also contains the uniformity class of covariance matrices considered in Bickel and Levina (2008b) as a special case. We assume that the distribution of the ’s is subgaussian in the sense that there is such that
Let denote the set of distributions of satisfying (2) and with covariance matrix .
Our technical analysis used in establishing a rate-sharp minimax lower bound has three major steps. The first step is to reduce the original problem to a simpler estimation problem over a carefully chosen subset of the parameter space without essentially decreasing the level of difficulty. The second is to apply the general minimax lower bound technique to this simplified problem, and the final key step is to bound the total variation affinities between pairs of mixture distributions with specially designed sparse covariance matrices. The technical analysis requires ideas that are quite different from those used in the typical function/sequence estimation problems.
for . The minimax risk of estimating the covariance matrix under the spectral norm over the class satisfies
Besides the sparsity assumption considered in this paper, another commonly used structural assumption in the literature is that the covariance matrix is “bandable” where the entries decay as they move away from the diagonal. This is particularly suitable in the setting where the variables exhibit a certain ordering structure, which is often the case for time series data. Various regularization methods have been proposed and studied under this assumption. Bickel and Levina (2008a) proposed a banding estimator and obtained rate of convergence for the estimator. Cai, Zhang and Zhou (2010) established the minimax rates of convergence and introduced a rate-optimal tapering estimator. In particular, Cai, Zhang and Zhou (2010) derived rate sharp minimax lower bounds for estimating bandable matrices. It should be noted that the lower bound techniques used there do not lead to a good result for estimating sparse covariance matrices under the spectral norm.
General lower bound for minimax risk
In this section we develop a new general minimax lower bound technique that is particularly well suited for treating “two-directional” problems such as estimating sparse covariance matrices. The new method can be viewed as a generalization of both Le Cam’s method and Assouad’s lemma. To help motivate and understand the new lower bound argument, it is useful to briefly review Le Cam’s method and Assouad’s lemma.
Write . One can view the lower bound in (5) as obtained from testing the simple hypothesis against the composite alternative .
Assouad’s lemma works with a hypercube . It is based on testing a number of pairs of simple hypotheses and is connected to multiple comparisons. For a parameter where , one tests whether or for each based on the observation . For each pair of simple hypotheses, there is a certain loss for making an error in the comparison. The lower bound given by Assouad’s lemma is a combination of losses from testing all pairs of simple hypotheses. Let
be the Hamming distance on . Assouad’s lemma gives a lower bound for the maximum risk over the hypercube of estimating an arbitrary quantity belonging to a metric space with metric .
In comparison, the standard lower bound arguments work with either or alone. For example, Assouad’s lemma considers only the parameter set and the Le Cam’s method typically applies to a parameter set like with . For , denote the projection of to by and to by .
The following lemma gives a lower bound for the maximum risk over the parameter set of estimating a functional belonging to a metric space with metric .
In applications of Lemma 3, for a where takes value or , and a where each is a -dimensional nonzero row vector, the element can be equivalently viewed as an matrix
Note that the lower bound (10) reduces to the classical Assouad lemma when contains only one matrix for which every row is nonzero, and becomes a two-point argument of Le Cam with one point against a mixture when . The proof of this lemma is given in Section 7. The technical argument is an extension of that of Assouad’s lemma. See Assouad (1983), Yu (1997) and van der Vaart (1998).
The advantage of this method is the ability to break down the lower bound calculations for the whole matrix estimation problem into calculations for individual rows so that the overall analysis is simplified and more tractable. Although the tool is introduced here for the purpose of estimating a sparse covariance matrix, it is of independent interest and is expected to be useful for solving other matrix estimation problems as well.
Bounding the total variation affinity between two mixture distributions in (10) is quite challenging in general. The following well-known result on the affinity is helpful in some applications. It provides lower bounds for the affinity between two mixture distributions in terms of the affinities between simpler distributions in the mixtures.
More specifically, in our construction of the parameter set for establishing the minimax lower bound, is the number of possibly nonzero rows in the upper triangle of the covariance matrix, and is the set of matrices with rows to determine the upper triangle matrix. Recall that the projection of to is and the projection of to is . More generally, for a subset , we define a projection of to a subset of by . A particularly useful example of set is
for which and in this case for convenience we set . and are defined similarly. We also define the set . A special case is .
Now we define a subset of to reduce the problem of estimating to a problem of estimating . For , and , let
and . Note that the cardinality of on the right-hand side does not depend on the value of due to the Cartesian product structure of . Define the mixture distribution
The parameter is seen uniformly distributed over . Let
and an average of over the set is defined as follows:
where the distribution of is induced by the uniform distribution over .
Lower bound for estimating sparse covariance matrix under the spectral norm
We now state and prove the minimax lower bound for estimating a sparse covariance matrix over the parameter space under the spectral norm. The derivation of the lower bounds relies heavily on the general lower bound technique developed in the previous section. It also requires a careful construction of a finite subset of the parameter space and detailed calculations of an effective lower bound for the total variation affinities between mixtures of multivariate Gaussian distributions.
Let . The minimax risk for estimating the covariance matrix over the parameter space with satisfies
for some constant , where denotes the matrix spectral norm.
Theorem 2 yields immediately a minimax lower bound for the more general subgaussian case under assumption (2),
It has been shown in Cai, Zhang and Zhou (2010) that
by constructing a parameter space with only diagonal matrices. It then suffices to show that
The proof of Theorem 2 contains three major steps. In the first step we construct in detail a finite subset of the parameter space such that the difficulty of estimation over is essentially the same as that of estimation over . The second step is the application of Lemma 3 to the carefully constructed parameter set . Finally in the third step we calculate the factor defined in (11) and the total variation affinity between two multivariate normal mixtures. Bounding the affinity is technically involved. The main ideas of the proof are outlined here, and detailed proofs of some technical lemmas used here are deferred to Section 7.
Proof of Theorem 2 The proof is divided into three main steps.
Step 1: Constructing the parameter set. Let , where denotes the largest integer less than or equal to , and let be the collection of all row vectors such that for and or for under the constraint the total number of 1s is , where the value of will be specified later. We shall treat each as an matrix with the th row equal to .
Set . Define to be the set of all elements in such that each column sum is less than or equal to . For each component , , of , define a symmetric matrix by making the th row of equal to , the th column equal to and the rest of the entries . Note that for each , each column/row sum of the matrix is less than or equal to .
It is easy to see that in the Gaussian case is a sufficient condition for (2). Without loss of generality we assume that in the subgaussianity assumption (2); otherwise we replace in (19) by with a small constant . Finally we define a collection of covariance matrices as
Note that each has value along the main diagonal, and contains an submatrix, say, , at the upper right corner, at the lower left corner and elsewhere. Each row of is either identically (if the corresponding value is ) or has exactly nonzero elements with value .
We now specify the values of and to ensure . Set for a fixed small constant , and let which implies
Note that and satisfy
and consequently every is diagonally dominant and positive definite, and . Thus we have , and the subgaussianity assumption (2) is satisfied.
For defined in equation (24) we have
The key technical difficulty is in bounding the affinity between the Gaussian mixtures. The proof is quite involved.
Finally, the minimax lower bound for estimation over is obtained by putting together the bounds given in Lemmas 5 and 6,
Minimax upper bound under the spectral norm
Section 3 developed a minimax lower bound for estimating a sparse covariance matrix under the spectral norm over . In this section we shall show that the lower bound is rate-sharp and therefore establish the optimal rate of convergence. To derive a minimax upper bound, we shall consider the properties of a thresholding estimator introduced in Bickel and Levina (2008b). Given a random sample of -variate observations drawn from a distribution in , the sample covariance matrix is
which is an unbiased estimate of , and the maximum likelihood estimator of is
when ’s are normally distributed. These two estimators are close to each other for large . We shall construct estimators of the covariance matrix by thresholding the maximum likelihood estimator .
Note that the subgaussianity condition (2) implies
Then the empirical covariance satisfies the following large deviation result that there exist constants and such that
for , where and are constants and depend only on . See Saulis and Statulevičius (1991) and Bickel and Levina (2008a). Inequality (26) implies behaves like a subgaussian random variable. In particular for we have
Define the thresholding estimator by
This thresholding estimator was first proposed in Bickel and Levina (2008b) in which a rate of convergence of the loss function in probability was given over the uniformity class . Here we provide an upper bound for mean squared spectral norm error over the parameter space .
Throughout the rest of the paper we denote by a generic positive constant which may vary from place to place. The following theorem shows that the thresholding estimator defined in (28) is rate optimal over the parameter space .
The thresholding estimator given in (28) satisfies, for some constant ,
Consequently, the minimax risk of estimating the sparse covariance matrix over satisfies
Theorem 3 shows that the optimal rate of convergence for estimating a sparse covariance matrix over under the squared spectral norm is . In Bickel and Levina (2008b) the uniformity class defined in (16) was considered. We shall now show that the same minimax rate of convergence holds for estimation over . It is easy to check in the proof of the lower bound that for every defined in (20), we have
The minimax risk for estimating the covariance matrix under the spectral norm over the uniformity class satisfies
The thresholding estimator defined by (28) is positive definite with high probability, but it is not guaranteed to be positive definite. A simple additional step can make the final estimator positive semi-definite and achieve the optimal rate of convergence. Write the eigen-decomposition of as
where ’s and ’s are the eigenvalues and eigenvectors of , respectively. Let be the positive part of and define
The resulting estimator is positive semi-definite and attains the same rate as the original thresholding estimator . This method can be applied to the tapering estimator in Cai, Zhang and Zhou (2010) as well to make the estimator positive semi-definite, while still achieving the optimal rate.
Optimal estimation under Bregman divergences
We have so far focused on the optimal rate of convergence under the spectral norm. In this section we turn to minimax estimation of sparse covariance matrices under a class of Bregman divergence losses which include Stein’s loss, Frobenius norm and von Neumann’s entropy as special cases. Bregman matrix divergences have been used for matrix estimation and matrix approximation problems; see, for example, Dhillon and Tropp (2007), Ravikumar et al. (2008) and Kulis, Sustik and Dhillon (2009). In this section we establish the optimal rate of convergence uniformly for a class of Bregman divergence losses.
Bregman (1967) introduced the Bregman divergence as a dissimilarity measure between vectors,
where and are real symmetric matrices, and is a differentiable strictly convex function over the space. See Censor and Zenios (1997) and Kulis, Sustik and Dhillon (2009). A particularly interesting class of is
or equivalently . The corresponding Bregman divergence can be written as
which is often called Stein’s loss in the statistical literature.
or equivalently , where is positive definite such that is well defined. The corresponding Bregman divergence is the von Neumann divergence
or equivalently . The resulting Bregman divergence is the squared Frobenius norm
for and .
Define a class of functions satisfying the following conditions:
is twice differentiable, real-valued and strictly convex over ;
for some and some real number uniformly over ;
For every positive constants and there are some positive constants and depending on and such that for all .
In this paper, we shall consider the following class of Bregman divergences:
It is easy to see that Stein’s loss, von Neumann’s divergence and the squared Frobenius norm are in this class.
Let be a positive constant. Let denote the set of distributions of satisfying (2) and with covariance matrix
The following theorem gives a unified result on the minimax rate of convergence for estimating the covariance matrix over the parameter space for all Bregman divergences defined in (32).
Assume that for some and . The minimax risk over under the loss function
for all Bregman divergences defined in (32) satisfies
Note that Theorem 4 gives the minimax rate of convergence uniformly under all Bregman divergences defined in (32). For an individual Bregman divergence loss, the condition that all eigenvalues are bounded away from is not needed if the function is well behaved at . For example, such is the case for the Frobenius norm.
The optimal rate of convergence is attained by a modified thresholding estimator. Let be the thresholding estimator given in (28). Define the final estimator of by
Let denote the set of distributions of satisfying (2) and with covariance matrix . Then under the same conditions as in Theorem 4,
Discussions
Moreover, the thresholding estimator defined in (28) is rate-optimal.
The spectral norm of a matrix depends on the entries in a subtle way and the “interactions” among different rows/columns must be taken into account. The lower bound argument developed in this paper is aimed at treating “two-directional” problems by mixing over both rows and columns. It can be viewed as a simultaneous application of Le Cam’s method in one direction and Assouad’s lemma in another. In contrast, for sequence estimation problems, we typically need one or the other, but not both at the same time. The lower bound techniques developed in this paper can be used to solve other matrix estimation problems. For example, Cai, Liu and Zhou (2011) applied the general lower bound argument to the problem of estimating sparse precision matrices under the spectral norm and established the optimal rate of convergence. This problem is closely connected to graphical model selection. The derivations of both the lower and upper bounds are involved. For reasons of space, we shall report the results elsewhere.
In addition to the hard thresholding estimator used in Bickel and Levina (2008b), Rothman, Levina and Zhu (2009) considered a class of thresholding rules with more general thresholding functions, including soft thresholding and adaptive Lasso. It is straightforward to show that these thresholding estimators with the same choice of threshold level used in (28) also attains the optimal rate of convergence over the parameter space under mean squared spectral norm error as well as under the class of Bregman divergence losses considered in Section 5 with the same modification as in (34). Therefore, the choice of the thresholding function is not important as far as the rate optimality is concerned.
Proofs
In this section we prove the general lower bound result given in Lemma 3, Theorems 3 and 4 as well as some of the important technical lemmas used in the proof of Theorem 2 given in Section 3. The proofs of a few technical results used in this section are deferred to the supplementary material [Cai and Zhou (2012)]. Throughout this section, we denote by a generic constant that may vary from place to place.
We first bound the maximum risk by the average over the whole parameter set,
Set . Note that the minimum is not necessarily unique. When it is not unique, pick to be any point in the minimum set. Then the triangle inequality for the metric gives
where the last inequality is due to the fact from the definition of . Equations (7.1) and (7.1) together yield
where the last step follows from the definition of in equation (11).
The right-hand side can be further written as
The following elementary result is useful to establish the lower bound for the minimax risk. See, for example, page 40 of Le Cam (1973).
2 Proof of Lemma 5
Let be a column -vector with for and for , that is, . Set . Note that for each , if , we have . Then there are at least number of elements with , which implies
Since , the equation above yields
when .
3 Proof of Lemma 6
(i) There exists a constant such that
Here is a symmetric matrix uniquely determined by where for ,
where with nonzero elements of equal and the submatrix is the same as the one for given in (41).
The following lemma is useful for calculating the cross product terms in the chi-squared distance between Gaussian mixtures. The proof of the lemma is straightforward and is thus omitted.
Let be the density function of for and , respectively. Then
Let be defined in (41) and determined by . Let and be of the form (42) with the first row and , respectively. Set
We sometimes drop the indices , and from to simplify the notation whenever there is no ambiguity. Then each term in the chi-squared distance on the left-hand side of (40) can be expressed as in the form of
It is a subset of in which the element can pick both and as the first row to form parameters in . From Lemma 9 the average of the chi-squared distance on the left-hand side of equation (40) can now be written as
where and are independent and uniformly distributed over (not over ) for given , and the distribution of given is uniform over , but the marginal distribution of and are not independent and uniformly distributed over .
Let and be two covariance matrices of the form (42). Note that and differ from each other only in the first row/column. Then , or , has a very simple structure. The nonzero elements only appear in the first row/column, and in total there are at most nonzero elements. This property immediately implies the following lemma which makes the problem of studying the determinant in Lemma 9 relatively easy. The proof of Lemma 10 below is given in the supplementary material.
Let be defined in (41) and let and be two covariance matrices of the form (42). Define to be the number of overlapping ’s between and on the first row, and
There are index subsets and in with and such that
and the matrix has rank with two identical nonzero eigenvalues when .
The matrix is determined by two interesting parts, the first element and a very special square matrix with all elements equal to . The following result, which is proved in the supplementary material, shows that is approximately equal to
Let be defined in equation (43). Then
where satisfies, uniformly over all ,
With the preparations given above, we are now ready to establish equation (40) and thus complete the proof of Lemma 6.
Recall that is the number of overlapping ’s between and on the first row. It is easy to see that has the hypergeometric distribution as and vary in for each given . For ,
where is a product of term with each term and for it is bounded below by a product of term with each term . Since for all , we have
by setting , where the last step follows from and as defined in Section 3.
The condition for some is assumed so that
for some to make the term (7.3) to be .
4 Proof of Theorem 3
The following lemma, which is proved in Cai and Zhou (2009), is now useful to prove Theorem 3.
Let with . Then
Set . Then we have
Putting and together yields that for some constant ,
Theorem 3 is proved by combining equations (7.4), (7.4) and (52).
5 Proof of Theorem 4
We establish separately the lower and upper bounds under the Bregman divergence losses. The following lemma relates a general Bregman divergence to the squared Frobenius norm.
Assume that all eigenvalues of two symmetric matrices and belong to . Then there exist constants depending only on and such that for all defined in (32),
Let the eigen decompositions of and be
For every it is easy to see that
See Kulis, Sustik and Dhillon (2009), Lemma 1. The Taylor expansion gives
where is in between and and then contained in . From the assumption in (32), there are constants and such that for all in , which immediately implies
Lower bound under Bregman matrix divergences. It is trivial to see that
by constructing a parameter space with only diagonal matrices. It is then enough to show that there exists some constant such that
for all defined in (32). Equation (53) implies
Convexity of implies is nonnegative and increasing when moves away from the range of those eigenvalues ’s of . From Lemma 13 there is a universal constant such that
where the last equality is from the same argument for equation (54).
It then suffices to study the lower bound under the Frobenius norm. Similar to the lower bound under the spectral norm one has
and it follows from Lemma 6 that there is a constant such that
Upper bound under Bregman matrix divergences. We now show that there exists an estimator such that
some constant , uniformly over all and . Let , where is defined in (49). Lemma 12 yields that
Let be defined in equation (34). Then for all
Write . Since , the lemma is then a direct consequence of Lemma 12 and equation (7.4) which implies over .
The second term in (7.5) is negligible since
by applying the Cauchy–Schwarz inequality twice. We now consider the first term in equation (7.5). Set . Then we have
Supplement to “Optimal rates of convergence for sparse covariance matrix estimation” \slink[doi]10.1214/12-AOS998SUPP \sdatatype.pdf \sfilenameaos998_supp.pdf \sdescriptionIn this supplement we prove the additional technical lemmas used in the proof of Lemma 6.