Sparse CCA: Adaptive Estimation and Computational Barriers
Chao Gao, Zongming Ma, Harrison H. Zhou
Introduction
where , , and . Since our primary interest lies in the covariance structure among and , we assume that their means are zeros from here on. Then the linear combinations are the -th pair of canonical variates. This technique has been widely used in various scientific fields to explore the relationship between two sets of variables. In practice, one does not have knowledge about the population covariance, and , , and are replaced by their sample versions , , and in (1).
Recently, there have been growing interests in applying CCA to analyzing high-dimensional datasets, where the dimensions and could be much larger than the sample size . It has been well understood that classical CCA breaks down in this regime . Motivated by genomics, neuroimaging and other applications, people have become interested in seeking sparse leading canonical coefficient vectors. Various estimation procedures imposing sparsity on canonical coefficient vectors have been developed in the literature, which are usually termed sparse CCA. See, for example, .
The theoretical aspect of sparse CCA has also been investigated in the literature. A useful model for studying sparse CCA is the canonical pair model proposed in . In particular, suppose there are pairs of canonical coefficient vectors (and canonical variates) among the two sets of variables, then the model reparameterizes the cross-covariance matrix as
Here and collect the canonical coefficient vectors and with are the ordered canonical correlations. Let and be the indices of nonzero rows of and . One way to impose sparsity on the canonical coefficient vectors is to require the sizes of and to be small, namely and for some and . Under this model, Gao et al. showed that the minimax rate for estimating and under the joint loss function is
However, to achieve the rate, Gao et al. used a computationally infeasible and nonadaptive procedure, which requires exhaustive search of all possible subsets with the given cardinality and the knowledge of and . Moreover, it is unclear from (3) whether the estimation error of depends on the sparsity and the ambient dimension of and vice versa.
The goal of the present paper is to study three fundamental questions in sparse CCA: (1) What are the minimax rates for estimating the canonical coefficient vectors on the two sets of variables separately? (2) Is there a computationally efficient and sparsity-adaptive method that achieves the optimal rates? (3) What is the price one has to pay to achieve the optimal rates in a computationally efficient way?
We now introduce the main contributions of the present paper from three different viewpoints as suggested by the three questions we have raised.
The joint loss studied by characterizes the joint estimation error of both and . In this paper, we provide a finer analysis by studying individual estimation errors of and under a natural loss function that can be interpreted as prediction error of canonical variates. The exact definition of the loss functions is given in Section 2. Separate minimax rates are obtained for and . In particular, we show that the minimax rate of convergence in estimating depends only on and , but not on either or . Consequently, if is sparser than , then convergence rate for estimating can be faster than that for estimating . Such a difference is not reflected by the joint loss, since its minimax rate (3) is determined by the slower of the rates of estimating and .
As pointed out in and , sparse CCA is a more difficult problem than the well-studied sparse PCA. A naive application of sparse PCA algorithm to sparse CCA can lead to inconsistent results . The additional difficulty in sparse CCA mainly comes from the presence of the nuisance parameters and , which cannot be estimated consistently in a high-dimensional regime in general. Therefore, our goal is to design an estimator that is adaptive to both the nuisance parameters and the sparsity levels. Under the canonical pair model, we propose a computationally efficient algorithm. The algorithm has two stages. In the first stage, we propose a convex program for sparse CCA based on a tight convex relaxation of a combinatorial program in by considering the smallest convex set containing all matrices of the form with both and being rank- orthogonal matrices. The convex program can be efficiently solved by the Alternating Direction Method with Multipliers (ADMM) . Based on the output of the first stage, we formulate a sparse linear regression problem in the second stage to improve estimation accuracy, and the final estimator and can be obtained via a group-Lasso algorithm . Under the sample size condition that
for some sufficiently large constant , we show and recover the true canonical coefficient matrices and within optimal error rates adaptively with high probability.
We require the sample size condition (4) for the adaptive procedure to achieve optimal rates of convergence. Assuming hardness of certain instances of the Planted Clique detection problem, we provide a computational lower bound to show that a condition of this kind is unavoidable for any computationally feasible estimation procedure to achieve consistency. Up to an asymptotically equivalent discretization which is necessary for computational complexity to be well-defined, our computational lower bound is established directly for the Gaussian canonical pair model used throughout the paper.
An analogous sample size condition has been imposed in the sparse PCA literature , namely where is the sparsity of the leading eigenvector and the gap between the leading eigenvalue and the rest of the spectrum. Berthet and Rigollet showed that if there existed a polynomial-time algorithm for a generalized sparse PCA detection problem while such a condition is violated, the algorithm could be made (in randomized polynomial-time) into a detection method for the Planted Clique problem in a regime where it is believed to be computationally intractable. However, both the null and the alternative hypotheses in the sparse PCA detection problem were generalized in to include all multivariate distributions whose quadratic forms satisfy certain uniform tail probability bounds and so the distributions need not be Gaussian or having a spiked covariance structure . The same remark also applies to the subsequent work on sparse PCA estimation . Hence, the computational lower bound in sparse PCA was only established for such enlarged parameter spaces. As a byproduct of our analysis, we establish the desired computational lower bound for sparse PCA in the Gaussian single spiked covariance model.
2 Organization
After an introduction to notation, the rest of the paper is organized as follows. In Section 2, we formulate the sparse CCA problem by defining its parameter space and loss function. Section 3 presents separate minimax rates for estimating and . Section 4 proposes a two-stage adaptive estimator that is shown to be minimax rate optimal under an additional sample size condition. Section 5 shows a condition of this kind is necessary for all randomized polynomial-time estimator to achieve consistency by establishing new computational lower bounds for sparse PCA and sparse CCA. Section 6 presents proofs of theoretical results in Section 4. Implementation details of the adaptive procedure, numerical studies, additional proofs and technical details are deferred to the supplement .
3 Notation
Problem Formulation
Consider a canonical pair model where the observed pairs of measurement vectors , are i.i.d. from a multivariate Gaussian distribution where
with the cross-covariance matrix satisfying (2). We are interested in the situation where the leading canonical coefficient vectors are sparse. One way to quantify the level of sparsity is to bound how many nonzero rows there are in the and matrices. This notion of sparsity has been used previously in both sparse PCA and sparse CCA problems when one seeks multiple sparse vectors simultaneously.
Recall that for any matrix , collects the indices of nonzero rows in . Adopting the above notion of sparsity, we define to be the collection of all covariance matrices with the structure (2) satisfying
where is the sample size. We shall allow to vary with , while is restricted to be an absolute constant.
2 Prediction loss
By symmetry, we can define by simply replacing , , and in (7) and (8) with , , and .
A related loss function is measuring the difference between two subspaces. By Proposition 9.2 in the supplementary material , the prediction loss is a stronger loss function. That is, for some constant only depending on . Actually, is strictly stronger. To see this, let , and . Then, , while . In this paper, we will focus on the stronger loss , and provide brief remarks on results for .
Minimax Rates
We first provide a minimax upper bound using a combinatorial optimization procedure, and then show that the resulting rate is optimal by further providing a matching minimax lower bound.
To obtain minimax upper bound, we propose a two-stage combinatorial optimization procedure. We split the data into three equal size batches , and , and denote the sample covariance matrices computed on each batch by and for .
In the first stage, we find which solves the following program:
In the second stage, we further refine the estimator for by finding solving
The final estimator is a normalized version of , defined as
The purpose of sample splitting employed in the above procedure is to facilitate the proof.
where the expectation is with respect to the distribution . The second equality results from taking expectation over each of the three terms in the expansion of the square Euclidean norm, and the last equality holds since does not involve the argument to be optimized over. In fact, from the canonical pair model, one can easily derive a regression interpretation of CCA, , where . Then, (10) is a least square formulation of the regression interpretation. However, CCA is different from regression because the response depends on an unknown . Comparing (10) with (12), it is clear that (10) is a sparsity constrained version of (12) where the knowledge of and the covariance matrix are replaced by the initial estimator and sample covariance matrix from an independent sample. Therefore, can be viewed as an estimator of . Hence, a final normalization step is taken in (11) to transform it to an estimator of .
We now state a bound for the final estimator (11).
for some sufficiently small constant . Then there exist constants only depending on such that
The paper assumes that is a constant. However, it is worth noting that the minimax upper bound of Theorem 3.1 does not depend on even if is allowed to grow with . To be specific, assume the eigenvalues of are bounded in the interval . The convergence rate of would still be \frac{1}{n\lambda^{2}}s_{u}\big{(}r+\log\frac{ep}{s_{u}}\big{)}, because the dependence on has been implicitly built into the prediction loss. On the other hand, a convergence rate for the loss would be \big{(}\frac{M_{2}}{M_{1}}\big{)}\frac{1}{n\lambda^{2}}s_{u}\big{(}r+\log\frac{ep}{s_{u}}\big{)}, with an extra factor of the condition number of .
Under assumption (13), Theorem 3.1 achieves a convergence rate for the prediction loss in that does not depend on any parameter related to . Note that the probability tail still involves and . However, it can be shown that , and so the corresponding term in the tail probability goes to as long as . The optimality of this upper bound can be justified by the following minimax lower bound.
Assume that . Then there exists some constant only depending on and an absolute constant , such that
where .
By Theorem 3.1 and Theorem 3.2, the rate in (14), whenever it is upper bounded by a constant, is the minimax rate of the problem.
Adaptive and Computationally Efficient Estimation
Section 3 determines the minimax rates for estimating under the prediction loss. However, there are two drawbacks of the procedure (9) – (11). One is that it requires the knowledge of the sparsity levels and . It is thus not adaptive. The other is that in both stages one needs to conduct exhaustive search over all subsets of given sizes in the optimization problems (9) and (10), and hence the computation cost is formidable.
In this section, we overcome both drawbacks by proposing a two-stage convex program approach towards sparse CCA. The procedure is named CoLaR, standing for Convex program with group-Lasso Refinement. It is not only computationally feasible but also achieves the minimax estimation error rates adaptively over a large collection of parameter spaces under an additional sample size condition. The issues related to this additional sample size condition will be discussed in more detail in the subsequent Section 5.
The basic principle underlying the computationally feasible estimation scheme is to seek tight convex relaxations of the combinatorial programs (9) – (10). In what follows, we introduce convex relaxations for the two stages in order. As in Section 3, we assume that the data is split into three batches and of equal sizes and for , let and be defined as before.
Naturally, we relax it to where
is the smallest convex set containing . The relation (17) is stated in the proof of Theorem 3 of . Combining (15) – (17), we use the following convex program for the first stage in our adaptive estimation scheme:
Implementation of (18) is discussed in Section 10 in the supplement .
A related but different convex relaxation was proposed in for the sparse PCA problem, where the set of all rank projection matrices (which are symmetric) is relaxed to its convex hull – the Fantope . Such an idea is not directly applicable in the current setting due to the asymmetric nature of the matrices included in the set in (16).
As before, sample splitting is only used for technical arguments in the proof. Simulation results in Section 11 in the supplement show that using the whole dataset repeatedly in (18) – (20) yields satisfactory performance and the improvement by the second stage is considerable.
2 Theoretical guarantees
We first state the upper bound for the solution to the convex program (18).
for some sufficiently large constant . Then there exist positive constants and only depending on and , such that when for ,
Note that the error bound in Theorem 4.1 can be much larger than the optimal rate for joint estimation of established in . Nonetheless, under the sample size condition (21), it still ensures that is close to in Frobenius norm distance. This fact, together with the proposed refinement scheme (19) – (20), guarantees the optimal rates of convergence for the estimator (20) as stated in the following theorem.
Assume (21) holds for some sufficiently large . Then there exist constants and only depending on and such that if we set and for any and for some absolute constant , there exist a constants only depending on and , such that
The result of Theorem 4.2 assumes a constant . Explicit dependence on the eigenvalues of the marginal covariance can be tracked even when is diverging. Assuming the eigenvalues of all lie in the interval , then the convergence rate of would be \big{(}\frac{M_{2}}{M_{1}}\big{)}^{2}\frac{s_{u}\left(r+\log p\right)}{n\lambda^{2}} and a convergence rate of would be \big{(}\frac{M_{2}}{M_{1}}\big{)}^{3}\frac{s_{u}\left(r+\log p\right)}{n\lambda^{2}}. Compared with Remark 3.1, there is an extra factor \big{(}\frac{M_{2}}{M_{1}}\big{)}^{2}, which is also present for the Lasso error bounds . Evidence has been given in the literature that such an extra factor can be intrinsic to all polynomial-time algorithms .
Although both Theorem 4.1 and Theorem 4.2 assume Gaussian distributions, a scrutiny of the proofs shows that the same results hold if the Gaussian assumption is weakened to subgaussian. By Theorem 3.2, the rate in Theorem 4.2 is optimal. By Theorem 4.1 and Theorem 4.2, the choices of the penalty parameters and in (18) and (19) do not depend on or . Therefore, the proposed estimation scheme (18) – (20) achieves the optimal rate adaptively over sparsity levels. A full treatment of adaptation to is beyond the scope of the current paper, though it seems possible in view of the recent proposals in . A careful examination of the proofs shows that the dependence of and on is through and , respectively. When and are bounded from above by a constant multiple of , we can upper bound the operator norms by the sample counterparts to remove the dependence of these penalty parameters on . We conclude this section with two more remarks.
Comparing Theorem 3.1 with Theorem 4.2, the adaptive estimation scheme achieves the optimal rates of convergence for a smaller collection of parameter spaces of interest due to the more restrictive sample size condition (21). We examine the necessity of this condition in more details in Section 5 below.
Computational Lower Bounds
In this section, we provide evidence that the sample size condition (21) imposed on the adaptive estimation scheme in Theorems 4.1 and 4.2 is probably unavoidable for any computationally feasible estimator to be consistent. To be specific, we show that for a sequence of parameter spaces in (5) – (LABEL:eq:para-space), if the condition is violated, then any computationally efficient consistent estimator of sparse canonical coefficients leads to a computationally efficient and statistically powerful test for the Planted Clique detection problem in a regime where it is believed to be computationally intractable.
Let be a positive integer and . We denote by the Erdős-Rényi graph on vertices where each edge is drawn independently with probability , and by the random graph generated by first sampling from and then selecting vertices uniformly at random and forming a clique of size on these vertices. For an adjacency matrix of an instance from either or , the Planted Clique detection problem of parameter refers to testing the following hypotheses
It is widely believed that when , the problem (22) cannot be solved by any randomized polynomial-time algorithm. In the rest of the paper, we formalize the conjectured hardness of Planted Clique problem into the following hypothesis.
For any sequence such that and any randomized polynomial-time test ,
Evidence supporting this hypothesis has been provided in . Computational lower bounds in several statistical problems have been established by assuming the above hypothesis and its close variants, including sparse PCA detection and estimation in classes defined by a restricted covariance concentration condition, submatrix detection and community detection .
Under Hypothesis A, the necessity of condition (21) is supported by the following theorem.
Suppose that Hypothesis A holds and that as , satisfying for some constant , , for some sufficiently small , and . If for some ,
then for any randomized polynomial-time estimator ,
Comparing (21) with (23), we see that subject to a sub-polynomial factor, the condition (21) is necessary to achieve consistent sparse CCA estimation within polynomial time complexity.
The statement in Theorem 5.1 is rigorous only if we assume the computational complexities of basic arithmetic operations on real numbers and sampling from univariate continuous distributions with analytic density functions are all . To be rigorous under the probabilistic Turing machine model , we need to introduce appropriate discretization of the problem and be more careful with the complexity of random number generation. To convey the key ideas in our computational lower bound construction, we focus on the continuous case throughout this section and defer the formal discretization arguments to Section 8 in the supplement .
In what follows, we divide the reduction argument leading to Theorem 5.1 into two parts. In the first part, we show Hypothesis A implies the computational hardness of the sparse PCA problem under the Gaussian spiked covariance model. In the second part, we show computational hardness of sparse PCA implies that of sparse CCA as stated in Theorem 5.1.
1 Hardness of sparse PCA under Gaussian spiked covariance model
Gaussian single spiked model refers to the distribution where . Here, is the eigenvector of unit length and is the eigenvalue. Define the following Gaussian single spiked model parameter space for sparse PCA
The minimax estimation rate for under the loss is . See, for instance, . However, to achieve the above minimax rate via computationally efficient methods such as those proposed in , researchers have required the sample size to satisfy for some sufficiently large constant . Moreover, no computationally efficient estimator is known to achieve consistency when the sample size condition is violated. As a first step toward the establishment of Theorem 5.1, we show that Hypothesis A implies hardness of sparse PCA under Gaussian spiked covariance model (25) when for some .
We note that previous computational lower bounds for sparse PCA in cannot be used here directly because they are only valid for parameter spaces defined via the restricted covariance concentration (RCC) condition. As pointed out in , such parameter spaces include (but are not limited to) all subgaussian distributions with sparse leading eigenvectors and the covariance matrices need not be of the spiked form . Therefore, the Gaussian single spiked model parameter space defined in (25) only constitutes a small subset of such RCC parameter spaces. The goal of the present subsection is to establish the computational lower bound for the Gaussian single spiked model directly.
Suppose we have an estimator of the leading sparse eigenvector, we propose the following reduction scheme to transform it into a test for (22). To this end, we first introduce some additional notation. Consider integers and . Define
denote the density function of the Gaussian mixture . Next, let be the restriction of the distribution on the interval . For any , define two probability distributions and with densities
With the foregoing definition, the proposed reduction scheme can be summarized as Algorithm 1. Here, the starting point is the adjacency matrix of the random graph, and the reduction is well defined for all instances of and .
We now explain how the reduction achieves its goal. For simplicity, focus on the case where . Let where is the indicator of whether the -th row of (defined in Step 2 of Algorithm 1) belongs to the planted clique or not, and the indicators of the columns of . In what follows, we discuss the distributions of when and , respectively.
When , the ’s and ’s are all zeros. In this case, we can verify that the entries of are mutually independent and for each the marginal distribution of is close to the distribution (c.f., Lemma 7.1 in the supplement ). Hence, the rows of are close to i.i.d. random vectors from the distribution. Since is independent of , the LHS of (40) is close in distribution to a random variable scaled by which concentrates around its expected value one. Indeed, it is upper bounded by with high probability.
If , then the -th entry of is an edge in the planted clique if and only if . Moreover, the joint distribution of is close to that of i.i.d. Bernoulli random variables with success probability . For simplicity, suppose that these indicators are indeed i.i.d. Bernoulli() variables . Then, one can show that conditioning on , for any , the conditional distribution of , after integrating over the conditional distribution of , and , is approximately . In contrast, conditioning on , for any , the conditional distribution of is approximately . Therefore, conditioning on the distribution of the ’s is close to that of i.i.d. random vectors sampled from
i.e., a Gaussian spiked covariance model in (25). Here, the leading eigenvector has sparsity level , which concentrates around its mean value if . Thus, if estimates well, then the LHS of (40) approximately follows a non-central distribution scaled by , which should exceed with high probability under the alternative hypothesis. Hence, Algorithm 1 is expected to yield a test with small error for the Planted Clique problem (22) when is a good estimator.
The materialization of the foregoing discussion leads to the following result which demonstrates quantitatively that a decent estimator of the leading sparse eigenvector results in a good test (by applying the reduction (30) – (33)) for the Planted Clique detection problem (22).
For some sufficiently small constant , assume , and . Then, for any such that
the test defined by (30) – (33) satisfies
for sufficiently large with some constants .
If the estimator is uniformly consistent over , then is close to zero. Hence the conclusion of Theorem 5.2 implies that for appropriate growing sequences of and , the testing error for (22) can be made smaller than any fixed nonzero probability. Further invoking Hypothesis A, we obtain the following computational lower bounds for sparse PCA.
Suppose that Hypothesis A holds and that as , for some constant , for some sufficiently small , and . If for some ,
then for any randomized polynomial-time estimator ,
Under the same condition of Theorem 5.3, for any randomized polynomial-time test for testing (37),
Theorems 5.3–5.4 are the first computational lower bounds for sparse PCA that are valid in the setting of Gaussian single spiked covariance models (25).
2 Hardness of sparse CCA
In the second step, we show that computational hardness of sparse PCA under Gaussian spiked covariance model implies the desired result in Theorem 5.1. To this end, we propose the following reduction.
To see why Algorithm 2 is effective, one can verify that if , then where
with . This is a special case of the Gaussian canonical pair model (2). Thus, the leading eigenvector of aligns with the leading canonical coefficient vectors of . Exploiting this connection, we obtain the following theorem.
Consider , and . Then for any such that
the estimator defined by Algorithm 2 satisfies
If we start with an estimator of the leading canonical coefficient vector, then we can construct the reduction from Planted Clique to sparse CCA directly by essentially following the steps in Algorithm 1 while using Algorithm 2 to construct from in the third step. Finally, the desired Theorem 5.1 is a direct consequence of Theorems 5.3 and 5.5.
Proofs
This section presents proofs of Theorems 4.1 and 4.2. The proofs of the other theoretical results are given in the supplement .
Before presenting the proof, we state some technical lemmas. The proofs of all the lemmas are given in Section 9.3 in the supplement . First, note that the estimator is normalized with respect to and , while the truth and is normalized with respect to and . To address this issue, we normalize the truth with respect to and to obtain and . Also define . For notational convenience, define
The following lemma bounds the normalization effect.
Assume for some sufficiently small constant . Then there exist some constants only depending on such that
with probability at least .
Using the definitions of and , let us state the following lemma, which asserts that the matrix is feasible to the optimization problem (18).
Define . When exists, we have
As was argued in Section 4.1, the set is the convex hull of . The following curvature lemma shows that the relaxation preserves the restricted strong convexity of the objective function.
Lemma 6.4 is instrumental in determining the proper value of the tuning parameter required in the program (18).
Assume for some sufficiently small constant . Then there exist some constants only depending on and such that , with probability at least .
We also need a lemma on restricted eigenvalue. For any p.s.d. matrix , define
The following lemma is adapted from Lemma 12 in , and its proof is omitted.
Assume \frac{1}{n}\big{(}(k_{u}\wedge p)\log(ep/(k_{u}\wedge p))+(k_{v}\wedge m)\log(em/(k_{v}\wedge m))\big{)}\leq c for some sufficiently small constant . Then there exist some constants only depending on and such that for and , we have
with probability at least 1-\exp\big{(}-C^{\prime}(k_{u}\wedge p)\log(ep/(k_{u}\wedge p))\big{)}-\exp\big{(}-C^{\prime}(k_{v}\wedge m)\log(em/(k_{v}\wedge m))\big{)}, for .
Finally, we need a result on subspace distance. Recall that for a matrix , denotes the projection matrix onto its column subspace.
If further , then
Proofs of Lemma 6.1-6.6 are given in Section 9.3.1 of the supplement .
In the rest of this proof, we denote , and by , and for notational convenience. We also let . The proof consists of two steps. In the first step, we are going to derive an upper bound for . In the second step, we derive a generalized cone condition and use it to lower bound by a constant multiple of and hence the upper bound on leads to an upper bound on .
Step 1. By Lemma 6.1, and are well-defined with high probability. Thus, is well-defined with high probability, and we have
with probability at least . According to Lemma 6.2, is feasible. Then, by the definition of , we have
where is defined in (45). For the first term on the right hand side of (47), we have
For the second term on the right hand side of (47), we have . Thus when
Using Lemma 6.3, we can lower bound the left hand side of (49) as
where . Combining (49) and (50), we have
Solving the quadratic equation (52) by Lemma 2 of , we have
which gives rise to the generalized cone condition that we are going to use in Step 2. Finally, by the bound and (53), we have
Step 2. By (54), we have obtained the following condition
Due to the existence of the extra term on the RHS, we call it a generalized cone condition. In this step, we are going to lower bound by on the generalized cone. Motivated by the argument in , let the index set in correspond to the entries with the largest absolute values in , and we define the set . Now we partition into disjoint subsets of size (with ), such that is the set of (double) indices corresponding to the entries of largest absolute values in outside . By triangle inequality,
where we have used the generalized cone condition (56). Hence, we have the lower bound
Taking for some sufficiently large constant , with high probability, can be lower bounded by a positive constant only depending on . To see this, note that by Lemma 6.5, (58) can be lower bounded by the difference of and , where and are defined as in Lemma 6.5. It is sufficient to show that , , and are sufficiently small to get a positive absolute constant . For the first term, when , it is bounded by and is sufficiently small under the assumption (13). When , it is bounded by and is also sufficiently small under (13). The same argument also holds for the other terms. Similarly, can be upper bounded by some constant.
Together with (55), this brings the inequality
Summing (59) and (60), we obtain a bound for . According to Lemma 6.4, we may choose for some large , so that (48) holds with high probability. By Lemma 6.1, with high probability. Hence,
with high probability. This completes the second step. Finally, the triangle inequality leads to . By (46) and (61), the proof is complete. ∎
2 Proof of Theorem 4.2
Define and .
Assume for some sufficiently small constant . Then there exist some constants only depending on and such that , with probability at least 1-\exp\big{(}-C^{\prime}(r+\log p)\big{)}.
The proof of Lemma 6.7 is given in Section 9.3.1 of the supplement .
In the rest of this proof, we denote , and by , and for simplicity of notation. Note that they depends on , while the estimator depends on . Hence, is independent of the sample covariance matrices occurring in this proof. The proof consists of three steps. In the first step, we derive a bound for . In the second step, we derive a cone condition and use it to obtain a bound for by arguing that upper bounds . In the last step, we derive the desired bound for .
Step 1. By definition of , we have . After rearrangement, we have
For the first term on the right hand side of (62), we have
For the second term on the right hand side of (62), we have
where means the -th row of the corresponding matrix. When
Since , (64) can be upper bounded by
Step 2. The inequality (64) implies the cone condition
where for a subset , , and
In the above derivation, we have used the construction of and the cone condition (66). Hence, with . In view of Lemma 6.5, taking for some sufficiently large constant , with high probability, can be lower bounded by a positive constant only depending on . Combining with (65), we have
Summing (69) and (70), we have . By Lemma 6.7, we may choose for some large so that (63) holds with high probability. Hence, with high probability. This completes the second step.
Step 3. Using the same argument in Step 2 of the proof of Theorem 3.1 (see supplementary material ), we obtain the desired bound for . The proof is complete. ∎
References
Proofs of Results in Section 5
In this section, we present the proofs of Theorems 5.1–5.5. Here we do not consider the issue of discretization. The main purpose is to help the readers get the intuition behind the problem without worrying about rigor at the theoretical computer science level. A rigorous treatment of the computational lower bounds is deferred to Section 8 where the asymptotic equivalent discretization and the statement of rigorous results for the discretized models will be presented.
There exists an absolute constant , such that for all integers , and all ,
where and .
Suppose . There exists an absolute constant such that
Recall defined in (26) and in Lemma 7.1. Let be , and be the distribution obtained by restricting on the set . Then the ’s in (30) are i.i.d. r.v.’s following the distribution .
Hence, it is sufficient to bound . Conditioning on , follows when . Therefore,
Here the last inequality is due to Lemma 7.1. Applying Lemma 7 of , we obtain . This completes the proof. ∎
Suppose . There exists a distribution supported on the set
such that for some absolute constants ,
We first focus on the case . The case of will be treated at the end of the proof. Recall that are the indicators of the rows of whether the corresponding vertices belong to the planted clique, and are the corresponding indicators of the columns of . Let and be i.i.d. Bernoulli random variables with mean . Define a matrix , where an entry if and is an independent instantiation of the Bernoulli distribution otherwise. Then, we define with entries
Then, by Theorem 4 of and the data-processing inequality, we have
Recall and defined in Lemma 7.1. By the definition of , conditioning on and , , while conditioning on and , .
Further define by setting
where is defined according to (27). By Lemma 7.1 and Lemma 7 of , uniformly over , we have
Next, we integrate the above bound over . To this end, first note that
Abbreviate by . We can rewrite the testing function as
Here, collects the random variables in (30). Thus, it is clear that is a randomized test for the Planted Clique detection problem (22). Note that for any in the support of , we have
We now bound the testing errors. For Type-I error, Lemma 7.2 implies
with probability at most . Integrating over , we have
where the last inequality holds under the assumptions and for some sufficiently small constant .
Turn to the Type-II error. Lemma 7.3 implies
where is bounded by \min\{|(\widehat{\theta}-\theta)^{\prime}\theta|^{2},|(\widehat{\theta}+\theta)^{\prime}\theta|^{2}\}\leq\min\big{\{}||\widehat{\theta}-\theta||^{2},||\widehat{\theta}+\theta||^{2}\big{\}}\leq\|{P_{\widehat{\theta}}-P_{\theta}}\|_{{\rm F}}^{2}. Together with (34), the above bound implies that for each pair in the support of ,
Combining the above analysis and using the assumptions that and , we have
Integrating over according to the prior and applying (75), we obtain
Summing up the Type-I and Type-II errors, we have
2 Proofs of Theorems 5.3, 5.4 and 5.1
3 Proof of Theorem 5.5
Let , then with given in (41). We complete the proof by noting
4 Proof of Lemma 7.1
We first verify that (28)–(29) are proper density functions when , which is a corollary of the following lemma.
If , and , then
Under the conditions of the lemma, we have , and so
We complete the proof by combining the last two displays. ∎
The following lemma controls the rescaling constants in (28) and (29).
There exists an absolute constant such that for any , for .
The integral on the RHS is upper bounded by
where the last inequality comes from standard Gaussian tail bounds. This readily implies The desired bound on follows from similar arguments. ∎
where the last inequality is due to the identity and (79). In addition, we have
Here, the last inequality is due to the identity and (79). This completes the proof. ∎
Discretization and Computational Lower bounds
To formally address the computational complexity issue in a continuous statistical model, we adopt the framework in . After introducing the asymptotically equivalent discretized models, we state the computational lower bounds for sparse PCA and sparse CCA under the discretized models in Section 8.1. The necessary modifications to Algorithms 1 and 2 are spelled out in Section 8.2 to ensure that they are truly of randomized polynomial time complexity.
For any matrix, the function is defined component-wise. Let
be the class of joint distributions of i.i.d. samples from all multivariate Gaussian distributions with spectrum contained in , and
be its discretized counterpart. The following lemma bounds the Le Cam distance between the two classes of distributions. Its proof is given below in Section 8.3.
When , the Le Cam distance between and satisfies .
and discretized sparse CCA probability space as
In view of Theorem 5.1, we are primarily interested in and its discretized counterpart.
For the sparse PCA parameter spaces, with the choice of and in Theorem 5.3, under condition (35), and . Thus, if we set the discretization level at , then and are asymptotically equivalent. Similarly, with the choice of in Theorem 5.1, under condition (23), when , and are also asymptotically equivalent. Therefore, with the foregoing discretization levels, the statistical difficulties of the original sparse PCA and CCA problems are asymptotically equivalent to those of the discretized problems. In particular, the conditions for any procedure to be consistent are the same for the original and the discretized parameter spaces.
We now state computational lower bounds for the discretized sparse PCA and sparse CCA problems. The meaning of “randomized polynomial-time estimators” is now based on the probabilistic Turing machine computation model rather than the computation model mentioned in Remark 5.1.
Let . Under the condition of Theorem 5.3, for any randomized polynomial-time estimator ,
Let . Under the condition of Theorem 5.1, for any randomized polynomial-time estimator ,
To prove these theorems, we need to modify Algorithms 1 and 2 which are not compatible with the Turing machine computation model. The details are spelled out in the next subsection. After these modifications, the proofs can be obtained by essentially following the lines of the proofs of their continuous counterparts while controlling some additional negligible terms in total variation bounds due to additional truncation. The details are omitted.
2 Randomized polynomial-time reduction for discretized models
We first introduce a way to approximately sample with polynomial time complexity from a distribution obtained from discretizing a continuous distribution with density [30, Section 4.2]. The modifications to Algorithms 1 and 2 then follow.
In (83), is the quantization defined previously in (80), and (84) ensures that is a proper probability distribution. By the definition of total variation distance, it is straightforward to verify that the approximation error in total variation distance by to the distribution of with is upper bounded by . As discussed in Section 4.2 of , regardless of the original distribution , the computational complexity of drawing a random number from is . This fact is crucial in ensuring the modified reduction below is of randomized polynomial-time.
The reduction in Algorithm 1 is modified to Algorithm 3 and the reduction in Algorithm 2 is modified to Algorithm 4. As in the continuous case, a direct reduction from Planted Clique to discretized sparse CCA can be obtained by constructing the estimator in the third step of Algorithm 3 from Algorithm 4.
By (85) and the discussion following (84), the complexity for sampling any random variable in the above reduction is , and in total, we need to generate no more than random variables. Hence, the total complexity for random number generation is in view of the condition . On the other hand, it is straightforward to verify that all the other computations (except for the estimator or ) have complexity no more than . Since the conditions of Theorems 8.2 and 8.1 ensure that for some constant , and , we obtain that the additional computational complexity induced by the proposed reductions is . Therefore, they are of randomized polynomial-time complexity.
3 Proof of Lemma 8.1
We need the following lemma for the proof.
For with and where , we have for any ,
Since each distribution in comes from discretizing a corresponding distribution in on a grid with equal spacing , we have . On the other hand, Lemma 8.2 and Lemma 7 of lead to . This completes the proof.
where is the Lebesgue measure. Hence,
whenever . The inequality (86) holds since
by Cauchy-Schwarz inequality. The inequality (87) holds because and . Note that
According to Gaussian tail probability, the first term can be bounded by . The second term is bounded by according to our previous analysis. Choosing , we obtain the bound for all . The conclusion follows the simple fact that . ∎
Additional Proofs
We first present a bound for the estimator defined by (9) under the joint loss.
Assume (13) for some sufficiently small . Then there exist constants only depending on such that
Theorem 9.1 is similar to Theorem 1 of , except that the loss function depends on the marginal covariances so that the error bound is independent of . Its proof is omitted given the similarity with that of Theorem 1 of .
Assume for some sufficiently small constant . Then, there exist some constants only depending on , such that with probability at least ,
Assume for some sufficiently small constant . Then, there exist some constants only depending on , such that
with probability at least , with
Assume for some sufficiently small constant . Then, there exist some constants only depending on , such that
with probability at least .
Assume for some sufficiently small constant . Then, there exist some constants only depending on , such that
with probability at least .
The proof consists of two steps. First, we derive a bound for . Next, we derive the desired bound for .
Step 1. By the definition of the estimator, we have
Using Lemma 9.2, Lemma 9.3 and Lemma 9.4, we have
with high probability, which immediately implies a bound for . This completes Step 1.
with high probability. The two claims (88) and (89) will be proved in the end. We bound by
With high probability, we could further bound the rightmost side by
The bound (90) is due to the claim (89), Lemma 6.6 and the fact that . The inequality (9.1) is derived from the sin-theta theorem . Thus, we have obtained the desired bound for . To finish the proof, we need to prove (88) and (89). Since , we have
Thus, it is sufficient to bound . By Theorem 9.1 and sin-theta theorem , is sufficiently small. In view of Lemma 6.6, there exists , such that
is sufficiently small. Therefore, together with Lemma 9.1,
is also sufficiently small. By Weyl’s inequality [20, p.449], is sufficiently small. Hence, with high probability, which implies the desired bound in (88). Finally, we need to prove (89). We have
We have already shown that is sufficiently small. The term is bounded by by using the bound derived for . To bound , note that only depends on and is independent of . Using union bound and an -net argument (see, for example, ) and the fact that (which is implied by ), we have with high probability. Hence, the proof is complete. ∎
2 Proof of Theorem 3.2
The main tool for our proof is the following Fano’s lemma [44, Lemma 3].
Finally, we lower bound the prediction loss by the squared subspace distance. Its proof is given in Section 9.3.2.
Suppose the eigenvalues of lie in the interval . Then, we have
A similar inequality holds for .
Let us first give an outline of the proof. By Proposition 9.2, we have
for any rate . Therefore, it is sufficient to derive a lower bound for the loss . Without loss of generality, we assume is an integer and . The case is harder and thus it shares the same lower bound. The subset of covariance class we consider is
where and is a subset of to be specified later. From the construction, depends on the matrix and the vector . As and vary, we always have . We use to denote a subset of where is fixed, and use to denote a subset of where is fixed.
The proof has three steps. In the first step, we derive the part using the subset for some particular . In the second step, we derive the other part using the subset for some fixed . Finally, we combine the two results in the third step.
Step 1. Let , and we consider the subset . Let and to be specified later. Define
Here, the equality is due to the definition of and the inequality due to the definition of . We now establish a lower bound for the packing number of . For some to be specified later, let be a maximal set such that for any ,
Then by [13, Lemma 1], for some absolute constant ,
It is easy to see that the loss function on the subset equals . Thus, for with sufficiently small , when is sufficiently large and . Taking for sufficiently small , we have
Since is bounded away from , we may choose sufficiently small and , so that the right hand side of (95) can be lower bounded by . This completes the first step.
Step 2. The part can be obtained from the rank-one argument spelled out in . To be rigorous, consider the subset with . Restricting on the set , the loss function is
for some constant . This completes the second step.
Taking on both sides of the inequality, and letting in (95) and in (96), we have
where we have used the identity . Careful readers may notice that we have assume sufficiently large in Step 1. For which is not sufficiently large, a similar rank-one argument as in Step 2 gives the desired lower bound. Thus, the proof is complete. ∎
3 Proofs of technical lemmas
This section gathers the proofs of all technical results used in the above sections. The proofs are organized according to the order of their first appearance. To simplify notation, we denote , and by , and for whenever there is no confusion from the context.
In order to prove Lemma 6.1, we need an auxiliary result.
Assume for some sufficiently small constant . Then there exist some constants only depending on such that
with probability at least .
Using the definition of operator norm and the sparsity of , we have
where and is bounded by the desired rate with high probability according to Lemma 16 in . Lemma 15 in implies , and thus also shares same upper bound. The upper bound for can be derived by the same argument. Hence, the proof is complete. ∎
Applying Lemma 9.6, the proof is complete. ∎
By the definition of , we have , and thus . Similarly . Thus,
Now let us use the notation . Then, by the definition of , we have , and
Combining (97) and (98), it is easy to see that all eigenvalues of are . Thus, we have and . The proof is complete. ∎
Denote , and . By , we have . The left hand side of (44) is lower bounded by , where . The first term on the right hand side of (44) is
Using triangle inequality, can be upper bounded by the following sum,
The first term can be bounded by the desired rate by union bound and Bernstein’s inequality [36, Prop. 5.16]. For the second term, it can be written as
where is the -th element of and the notation means the -th element of the referred vector. Thus, it is a maximum over average of centered sub-exponential random variables. Then, by Bernstein’s inequality and union bound, it is also bounded by the desired rate. Similarly, we can bound the third term. For the last term, it can be bounded by , where for each , can be written as
It can be bounded by the rate with the desired probability using union bound and Bernstein’s inequality. Hence, the last term can be bounded by . Under the assumption that is bounded by a constant, it can further be bounded by the rate with high probability. Combining the bounds of the four terms, the proof is complete. ∎
By the property of least squares, we have
Since , the proof is complete. ∎
By the definition of , we have . Thus,
Let us first bound . Note that the sample covariance can be written as
where are i.i.d. Gaussian vectors distributed as . Let be the -th row of , and then we have
Take for some sufficiently large , and under the assumption , with probability at least . Similar arguments lead to the bound of . Let us sketch the proof. Note that we may write
Then, define , and we have
Using the same argument, we can bound this term by with probability at least . Thus, the proof is complete. ∎
3.2 Proofs of lemmas in Section 9
Let , where . First, let us bound . Since , we have
with probability at least , where the last inequality is by Lemma 12 of . Hence,
with probability at least . The proof is completed by realizing . ∎
Let , where . Using the definition of Frobenius norm, we have
with high probability, where we have used and Lemma 12 in in the last inequality. After rearrangement, the proof is complete. ∎
In this proof, is constructed from and is constructed from . We use the notation and , where and . Note that depends on and depends on . We first condition on , and then we have
with probability at least . By Lemma 9.1, we have with high probability. Finally, observing that , we have completed the proof. ∎
It is omitted due to similarity to that of Lemma 9.3. ∎
Let the singular value decomposition of be . Then we have , from which we derive . Using Lemma 6.6, we have
Finally, by , the proof is complete. ∎
Implementation of (18)
To implement the convex programming (18), we turn to the Alternating Direction Method of Multipliers (ADMM) . In the rest of this section, we write and for and for notational convenience.
First, note that (18) can be rewritten as
Thus, the augmented Lagrangian form of the problem is
Following the generic algorithm spelled out in Section 3 of , suppose after the -th iteration, the matrices are , then we update the matrices in the -th iteration as follows:
The algorithm iterates over (104) – (106) till some convergence criterion is met. It is clear that the update (106) for the dual variable is easy to calculate. Moreover the updates (104) and (105) can be solved easily and have explicit meaning in giving solution to sparse CCA. We are going to show that (104) can be viewed as a Lasso problem. Thus, this step targets at the sparsity of the matrix . The update (105) turns out to be equivalent to a singular value capped soft thresholding problem, and it targets at the low-rankness of the matrix . In what follows, we study in more details the updates for and .
First, we note that (104) is equivalent to
Thus, it is clear that the update of in (104) can be viewed as a Lasso problem as summarized in the following proposition. Here and after, for any positive semi-definite matrix , denotes the principal square root of its pseudo-inverse.
It is worth mentioning that the vectorized formulation in Proposition 10.1 is for illustration only. In practice, we solve the problem in (107) directly, since the vectorized version, especially the Kronecker product, would great increase the computation cost. The solver to (107) can be easily implemented in standard software packages for convex programming, such as TFOCS .
Turning to the update for , we note that (105) is equivalent to
The solution to the last display has a closed form according to the following result.
Let be the solution to the optimization problem:
Let the SVD of be with the ordered singular values. Then where for any , for some which is the solution to
The proof essentially follows that of Lemma 4.1 in . In addition to the fact that the current problem deals with asymmetric matrix, the only difference that we now have an inequality constraint rather than an equality constraint as in . The asymmetry of the current problem does not matter since it is orthogonally invariant. ∎
In summary, the convex program (18) is implemented as Algorithm 5.
Numerical Studies
This section presents numerical results demonstrating the competitive finite sample performance of the proposed adaptive estimation procedure CoLaR on simulated datasets.
We consider three simulation settings. In all these settings, we set , , and with and . Moreover, the nonzero rows of both and are set at . The values at the nonzero coordinates are obtained from normalizing (with respect to ) random numbers drawn from the uniform distribution on the finite set . The choices of in the three settings are as follows:
Toeplitz: where for all . In other words, and are Toeplitz matrices.
SparseInv: . We set where with
In other words, and have sparse inverse matrices.
In all three settings, we normalize the variance of each coordinate to be one.
The proposed CoLaR estimator in Section 4.1 has two stages. The convex program (18) in the first stage can be solved via an ADMM algorithm . The details of the ADMM approach are presented in Section 10. The optimization problem (19) in the second stage can be solved by a standard group-Lasso algorithm .
In addition to the performance of CoLaR, we also report that of the method proposed in (denoted by PMA here and on). The PMA seeks the solution to the optimization problem
The solution is used to estimate the first canonical pair . Then the same procedure is repeated after is replaced by , and the solution gives the estimator of the second canonical pair . This process is repeated until is obtained. Note that the normalization constraint and implicitly assumes that the marginal covariance matrices and are identity matrices. We used the R implementation of the method (function CCA in the PMA package in R) by the authors of . To remove undesired amplification of error caused by normalization, we renormalized each individual with respect to and each individual with respect to before calculating the error under the loss (7). For each simulated dataset, we set the sparsity penalty parameters penaltyx and penaltyz of the function CCA at each of the eleven different values and only the smallest estimation error out of all eleven trials was used to compute the error reported in the tables below.
Tables 1 – 3 report, in each of the three settings, the medians of the prediction errors of CoLaR and PMA out of repetitions for four different configurations of values.
In each table, the columns -PMA and -PMA report the medians of the smallest estimation errors out of the eleven trials on each simulated dataset. The columns -init and -init report the median estimation errors of the renormalized left singular vectors and right singular vectors of the solutions to the initialization step (18), where the renormalization is the same as in (20) and in both (18) and renormalization we used all the pairs of observations. Last but not least, the columns -CoLaR and -ColaR report the median estimation errors of the CoLaR estimators where both stages were carried out.
In all simulation settings, both the renormalized initial estimators and the CoLaR estimators consistently outperform PMA. Comparing the last four columns within each table, we also find that the CoLaR estimators with both stages carried out significantly improve over the renormalized initial estimators, which is in accordance with our theoretical results in Section 4.
In summary, the proposed method delivers consistent and competitive performance in all three covariance settings across all dimension and sample size configurations, and its behavior agrees well with the theory.
We now examine the performance of our estimator when the model is misspecified. To this end, we consider the case where there are three pairs of non-trivial canonical correlations present in the data but we set in our algorithm. As before, we consider three different types of marginal covariance matrices: Identity, Toeplitz and SparseInv. In addition, we generate the first two pairs of canonical correlation vectors in the same way as before. For the generation of the third pair of canonical directions, we consider two different scenarios. In the first scenario, the support of the third pair of canonical direction vectors are set at and so they are the same as those of the first two pairs. In the second scenario, we put no constraint on the support of these vectors. For both scenarios, we set . Table 4 reports the prediction errors of the first two pairs of canonical correlations in both scenarios when . The implementation details are exactly the same as before. The first two columns contain results in the first scenario, and the third and the fourth columns the second scenario. Comparing these results with their counterparts in correctly specified models (the last two cells in the second last rows of Tables 1–3), we have found that the performance of our estimator was robust to model misspecification in both scenarios.