Sparse CCA: Adaptive Estimation and Computational Barriers

Chao Gao, Zongming Ma, Harrison H. Zhou

Introduction

where Σx=Cov(X),Σy=Cov(Y),Σxy=Cov(X,Y)\Sigma_{x}=\text{Cov}(X),\Sigma_{y}=\text{Cov}(Y),\Sigma_{xy}=\text{Cov}(X,Y), u0=0{u}_{0}=0, and v0=0{v}_{0}=0. Since our primary interest lies in the covariance structure among XX and YY, we assume that their means are zeros from here on. Then the linear combinations (uj′X,vj′Y)(u_{j}^{\prime}X,v_{j}^{\prime}Y) are the jj-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 Σx\Sigma_{x}, Σy\Sigma_{y}, and Σxy\Sigma_{xy} are replaced by their sample versions Σ^x\widehat{\Sigma}_{x}, Σ^y\widehat{\Sigma}_{y}, and Σ^xy\widehat{\Sigma}_{xy} in (1).

Recently, there have been growing interests in applying CCA to analyzing high-dimensional datasets, where the dimensions pp and mm could be much larger than the sample size nn. 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 rr pairs of canonical coefficient vectors (and canonical variates) among the two sets of variables, then the model reparameterizes the cross-covariance matrix as

Here U=[u1,...,ur]U=[u_{1},...,u_{r}] and V=[v1,...,vr]V=[v_{1},...,v_{r}] collect the canonical coefficient vectors and Λ=diag(λ1,…,λr)\Lambda=\mathop{\text{diag}}(\lambda_{1},\dots,\lambda_{r}) with 1>λ1≥⋯≥λr>01>\lambda_{1}\geq\cdots\geq\lambda_{r}>0 are the ordered canonical correlations. Let Su=supp(U)S_{u}={\rm supp}(U) and Sv=supp(V)S_{v}={\rm supp}(V) be the indices of nonzero rows of UU and VV. One way to impose sparsity on the canonical coefficient vectors is to require the sizes of SuS_{u} and SvS_{v} to be small, namely ∣Su∣≤su|S_{u}|\leq s_{u} and ∣Sv∣≤sv|S_{v}|\leq s_{v} for some su≤ps_{u}\leq p and sv≤ms_{v}\leq m. Under this model, Gao et al. showed that the minimax rate for estimating UU and VV under the joint loss function ∥U^V^′−UV′∥F2\|\widehat{U}\widehat{V}^{\prime}-UV^{\prime}\|_{\rm F}^{2} 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 sus_{u} and svs_{v}. Moreover, it is unclear from (3) whether the estimation error of UU depends on the sparsity and the ambient dimension of VV 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 ∥U^V^′−UV′∥F2\|\widehat{U}\widehat{V}^{\prime}-UV^{\prime}\|_{\rm F}^{2} studied by characterizes the joint estimation error of both UU and VV. In this paper, we provide a finer analysis by studying individual estimation errors of UU and VV 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 UU and VV. In particular, we show that the minimax rate of convergence in estimating UU depends only on n,r,λr,pn,r,\lambda_{r},p and sus_{u}, but not on either mm or svs_{v}. Consequently, if UU is sparser than VV, then convergence rate for estimating UU can be faster than that for estimating VV. 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 UU and VV.

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 Σx\Sigma_{x} and Σy\Sigma_{y}, 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 AB′AB^{\prime} with both AA and BB being rank-rr 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 U^\widehat{U} and V^\widehat{V} can be obtained via a group-Lasso algorithm . Under the sample size condition that

for some sufficiently large constant C>0C>0, we show U^\widehat{U} and V^\widehat{V} recover the true canonical coefficient matrices UU and VV 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 n≥Cs2log⁡p/λ2n\geq C{s^{2}\log p}/{\lambda^{2}} where ss is the sparsity of the leading eigenvector and λ\lambda 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 UU and VV. 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 (Xi′,Yi′)′(X_{i}^{\prime},Y_{i}^{\prime})^{\prime}, i=1,…,ni=1,\dots,n are i.i.d. from a multivariate Gaussian distribution Np+m(0,Σ)N_{p+m}(0,\Sigma) where

with the cross-covariance matrix Σxy\Sigma_{xy} 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 UU and VV 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 AA, supp(A){\rm supp}(A) collects the indices of nonzero rows in AA. Adopting the above notion of sparsity, we define F(su,sv,p,m,r,λ;M)\mathcal{F}(s_{u},s_{v},p,m,r,\lambda;M) to be the collection of all covariance matrices Σ\Sigma with the structure (2) satisfying

where nn is the sample size. We shall allow su,sv,p,m,r,λs_{u},s_{v},p,m,r,\lambda to vary with nn, while M>1M>1 is restricted to be an absolute constant.

2 Prediction loss

By symmetry, we can define L(V^,V)L(\widehat{V},V) by simply replacing UU, U^\widehat{U}, X⋆X^{\star} and Σx\Sigma_{x} in (7) and (8) with VV, V^\widehat{V}, Y⋆Y^{\star} and Σy\Sigma_{y}.

A related loss function is ∥PU^−PU∥F2\|P_{\widehat{U}}-P_{U}\|_{\rm F}^{2} measuring the difference between two subspaces. By Proposition 9.2 in the supplementary material , the prediction loss L(U^,U)L(\widehat{U},U) is a stronger loss function. That is, ∥PU^−PU∥F2≤CL(U^,U)\|P_{\widehat{U}}-P_{U}\|_{\rm F}^{2}\leq CL(\widehat{U},U) for some constant C>0C>0 only depending on MM. Actually, L(U^,U)L(\widehat{U},U) is strictly stronger. To see this, let Σx=Ip\Sigma_{x}=I_{p}, U∈O(p,r)U\in O(p,r) and U^=2U\widehat{U}=2U. Then, ∥PU^−PU∥F2=0\|P_{\widehat{U}}-P_{U}\|_{\rm F}^{2}=0, while L(U^,U)=inf⁡W∈O(r)∥Σx1/2(U^W−U)∥F2=inf⁡W∈O(r)(5r−Tr(W))=r>0L(\widehat{U},U)=\inf_{W\in O(r)}\|\Sigma_{x}^{1/2}(\widehat{U}W-U)\|_{\rm F}^{2}=\inf_{W\in O(r)}(5r-\mathop{\sf Tr}(W))=r>0. In this paper, we will focus on the stronger loss L(U^,U)L(\widehat{U},U), and provide brief remarks on results for ∥PU^−PU∥F2\|P_{\widehat{U}}-P_{U}\|_{\rm F}^{2}.

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 D0={(Xi′,Yi′)′}i=1n0\mathcal{D}_{0}=\{(X_{i}^{\prime},Y_{i}^{\prime})^{\prime}\}_{i=1}^{n_{0}}, D1={(Xi′,Yi′)′}i=n0+12n0\mathcal{D}_{1}=\{(X_{i}^{\prime},Y_{i}^{\prime})^{\prime}\}_{i=n_{0}+1}^{2n_{0}} and D2={(Xi′,Yi′)′}i=2n0+1n\mathcal{D}_{2}=\{(X_{i}^{\prime},Y_{i}^{\prime})^{\prime}\}_{i=2n_{0}+1}^{n}, and denote the sample covariance matrices computed on each batch by Σ^x(j),Σ^y(j)\widehat{\Sigma}_{x}^{(j)},\widehat{\Sigma}_{y}^{(j)} and Σ^xy(j)\widehat{\Sigma}_{xy}^{(j)} for j∈{0,1,2}j\in\{0,1,2\}.

In the first stage, we find (U^(0),V^(0))(\widehat{U}^{(0)},\widehat{V}^{(0)}) which solves the following program:

In the second stage, we further refine the estimator for UU by finding U^(1)\widehat{U}^{(1)} solving

The final estimator is a normalized version of U^(1)\widehat{U}^{(1)}, 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 (X′,Y′)′∼Np+m(0,Σ)(X^{\prime},Y^{\prime})^{\prime}\sim N_{p+m}(0,\Sigma). 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 Tr(V′ΣyV)\mathop{\sf Tr}(V^{\prime}\Sigma_{y}V) 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, V′Y=ΛU′X+EV^{\prime}Y=\Lambda U^{\prime}X+E, where E∼N(0,Ir−Λ2)E\sim N(0,I_{r}-\Lambda^{2}). Then, (10) is a least square formulation of the regression interpretation. However, CCA is different from regression because the response V′YV^{\prime}Y depends on an unknown VV. Comparing (10) with (12), it is clear that (10) is a sparsity constrained version of (12) where the knowledge of VV and the covariance matrix Σ\Sigma are replaced by the initial estimator V^(0)\widehat{V}^{(0)} and sample covariance matrix from an independent sample. Therefore, U^(1)\widehat{U}^{(1)} can be viewed as an estimator of UΛU\Lambda. Hence, a final normalization step is taken in (11) to transform it to an estimator of UU.

We now state a bound for the final estimator (11).

for some sufficiently small constant c>0c>0. Then there exist constants C,C′>0C,C^{\prime}>0 only depending on cc such that

The paper assumes that MM is a constant. However, it is worth noting that the minimax upper bound of Theorem 3.1 does not depend on MM even if MM is allowed to grow with nn. To be specific, assume the eigenvalues of Σx\Sigma_{x} are bounded in the interval [M1,M2][M_{1},M_{2}]. The convergence rate of L(U^,U)L(\widehat{U},U) would still be \frac{1}{n\lambda^{2}}s_{u}\big{(}r+\log\frac{ep}{s_{u}}\big{)}, because the dependence on M1,M2M_{1},M_{2} has been implicitly built into the prediction loss. On the other hand, a convergence rate for the loss ∥PU^−PU∥F2\|P_{\widehat{U}}-P_{U}\|_{\rm F}^{2} 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 Σx\Sigma_{x}.

Under assumption (13), Theorem 3.1 achieves a convergence rate for the prediction loss in UU that does not depend on any parameter related to VV. Note that the probability tail still involves mm and svs_{v}. However, it can be shown that exp⁡(−C′(sv+log⁡(em/sv)))≤m−C′/2\exp\left(-C^{\prime}(s_{v}+\log(em/s_{v}))\right)\leq m^{-C^{\prime}/2}, and so the corresponding term in the tail probability goes to as long as m→∞m\rightarrow\infty. The optimality of this upper bound can be justified by the following minimax lower bound.

Assume that r≤su∧sv2r\leq\frac{s_{u}\wedge s_{v}}{2}. Then there exists some constant C>0C>0 only depending on MM and an absolute constant c0>0c_{0}>0, such that

where P=P(n,su,sv,p,m,r,λ;M)\mathcal{P}=\mathcal{P}(n,s_{u},s_{v},p,m,r,\lambda;M).

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 UU 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 sus_{u} and svs_{v}. 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 D0,D1\mathcal{D}_{0},\mathcal{D}_{1} and D2\mathcal{D}_{2} of equal sizes and for j=0,1,2j=0,1,2, let Σ^x(j),Σ^y(j)\widehat{\Sigma}_{x}^{(j)},\widehat{\Sigma}_{y}^{(j)} and Σ^xy(j)\widehat{\Sigma}_{xy}^{(j)} be defined as before.

Naturally, we relax it to (Σ^x(0))1/2F(Σ^y(0))1/2∈Cr(\widehat{\Sigma}_{x}^{(0)})^{1/2}F(\widehat{\Sigma}_{y}^{(0)})^{1/2}\in\mathcal{C}_{r} where

is the smallest convex set containing Or\mathcal{O}_{r}. 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 rr projection matrices (which are symmetric) is relaxed to its convex hull – the Fantope {P:Tr(P)=r,0⪯P⪯Ip}\left\{P:\mathop{\sf Tr}(P)=r,0\preceq P\preceq I_{p}\right\}. Such an idea is not directly applicable in the current setting due to the asymmetric nature of the matrices included in the set Or\mathcal{O}_{r} 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 A^\widehat{A} to the convex program (18).

for some sufficiently large constant C1>0C_{1}>0. Then there exist positive constants γ1,γ2\gamma_{1},\gamma_{2} and C,C′C,C^{\prime} only depending on MM and C1C_{1}, such that when ρ=γlog⁡(p+m)/n\rho=\gamma\sqrt{{\log(p+m)}/{n}} for γ∈[γ1,γ2]\gamma\in[\gamma_{1},\gamma_{2}],

Note that the error bound in Theorem 4.1 can be much larger than the optimal rate for joint estimation of UV′UV^{\prime} established in . Nonetheless, under the sample size condition (21), it still ensures that A^\widehat{A} is close to UV′UV^{\prime} 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 C1≥0C_{1}\geq 0. Then there exist constants γ\gamma and γu\gamma_{u} only depending on C1C_{1} and MM such that if we set ρ=γ′[log⁡(p+m)]/n\rho=\gamma^{\prime}\sqrt{{[\log(p+m)]}/{n}} and ρu=γu′(r+log⁡p)/n\rho_{u}=\gamma^{\prime}_{u}\sqrt{({r+\log p})/{n}} for any γ′∈[γ,C2γ]\gamma^{\prime}\in[\gamma,C_{2}\gamma] and γu′∈[γu,C2γu]\gamma_{u}^{\prime}\in[\gamma_{u},C_{2}\gamma_{u}] for some absolute constant C2>0C_{2}>0, there exist a constants C,C′>0C,C^{\prime}>0 only depending on C1,C2C_{1},C_{2} and MM, such that

The result of Theorem 4.2 assumes a constant MM. Explicit dependence on the eigenvalues of the marginal covariance can be tracked even when MM is diverging. Assuming the eigenvalues of Σx\Sigma_{x} all lie in the interval [M1,M2][M_{1},M_{2}], then the convergence rate of L(U^,U)L(\widehat{U},U) 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 ∥PU^−PU∥F2\|P_{\widehat{U}}-P_{U}\|_{\rm F}^{2} 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 ρ\rho and ρu\rho_{u} in (18) and (19) do not depend on sus_{u} or svs_{v}. Therefore, the proposed estimation scheme (18) – (20) achieves the optimal rate adaptively over sparsity levels. A full treatment of adaptation to MM 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 ρ\rho and ρu\rho_{u} on MM is through ∥Σx∥op1/2∥Σy∥op1/2\|\Sigma_{x}\|_{\rm op}^{1/2}\|\Sigma_{y}\|_{\rm op}^{1/2} and ∥Σx∥op\|\Sigma_{x}\|_{\rm op}, respectively. When pp and mm are bounded from above by a constant multiple of nn, we can upper bound the operator norms by the sample counterparts to remove the dependence of these penalty parameters on MM. 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 NN be a positive integer and k∈[N]k\in[N]. We denote by G(N,1/2)\mathcal{G}(N,1/2) the Erdős-Rényi graph on NN vertices where each edge is drawn independently with probability 1/21/2, and by G(N,1/2,k)\mathcal{G}(N,1/2,k) the random graph generated by first sampling from G(N,1/2)\mathcal{G}(N,1/2) and then selecting kk vertices uniformly at random and forming a clique of size kk on these vertices. For an adjacency matrix A∈{0,1}N×NA\in\{0,1\}^{N\times N} of an instance from either G(N,1/2)\mathcal{G}(N,1/2) or G(N,1/2,k)\mathcal{G}(N,1/2,k), the Planted Clique detection problem of parameter (N,k)(N,k) refers to testing the following hypotheses

It is widely believed that when k=O(N1/2−δ)k=O(N^{1/2-\delta}), 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 k=k(N)k=k(N) such that lim sup⁡N→∞log⁡klog⁡N<12\limsup_{N\to\infty}\frac{\log k}{\log N}<\frac{1}{2} and any randomized polynomial-time test ψ\psi,

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 n→∞n\to\infty, p=mp=m satisfying 2n≤p≤na2n\leq p\leq n^{a} for some constant a>1a>1, su=svs_{u}=s_{v}, n(log⁡n)5≤csu4n(\log n)^{5}\leq cs_{u}^{4} for some sufficiently small c>0c>0, and λ=susv7290n(log⁡(12n))2\lambda=\frac{s_{u}s_{v}}{7290n(\log(12n))^{2}}. If for some δ∈(0,1)\delta\in(0,1),

then for any randomized polynomial-time estimator u^\widehat{u},

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 Θ(1)\Theta(1) . 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 Np(0,Σ)N_{p}(0,\Sigma) where Σ=τθθ′+Ip\Sigma=\tau\theta\theta^{\prime}+I_{p}. Here, θ\theta is the eigenvector of unit length and τ>0\tau>0 is the eigenvalue. Define the following Gaussian single spiked model parameter space for sparse PCA

The minimax estimation rate for θ\theta under the loss ∥Pθ^−Pθ∥F2\|P_{\widehat{\theta}}-P_{\theta}\|_{\rm F}^{2} is λ+1nλ2slog⁡eps\frac{\lambda+1}{n\lambda^{2}}s\log\frac{ep}{s}. 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 n≥Cs2log⁡pλ2n\geq C\frac{s^{2}\log p}{\lambda^{2}} for some sufficiently large constant C>0C>0. 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 lim inf⁡n→∞s2−δlog⁡pnλ2>0\liminf_{n\to\infty}\frac{s^{2-\delta}\log p}{n\lambda^{2}}>0 for some δ>0\delta>0.

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 Σ=τθθ′+Ip\Sigma=\tau\theta\theta^{\prime}+I_{p}. 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 θ^=θ^(W1,…,Wn)\widehat{\theta}=\widehat{\theta}(W_{1},\dots,W_{n}) 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 kk and NN. Define

denote the density function of the Gaussian mixture 12N(μ,1)+12N(−μ,1)\frac{1}{2}N(\mu,1)+\frac{1}{2}N(-\mu,1). Next, let Φ~0\widetilde{\Phi}_{0} be the restriction of the N(0,1)N(0,1) distribution on the interval [−3log⁡N,3log⁡N][-3\sqrt{\log N},3\sqrt{\log N}]. For any ∣μ∣≤3ηNlog⁡N|\mu|\leq 3\sqrt{\eta_{N}\log N}, define two probability distributions Fμ,0\mathcal{F}_{\mu,0} and Fμ,1\mathcal{F}_{\mu,1} with densities

With the foregoing definition, the proposed reduction scheme can be summarized as Algorithm 1. Here, the starting point is the adjacency matrix AA of the random graph, and the reduction is well defined for all instances of N≥12nN\geq 12n and p≥2np\geq 2n.

We now explain how the reduction achieves its goal. For simplicity, focus on the case where p=2np=2n. Let ϵ=(ϵ1,...,ϵ2n)∈{0,1}2n{\epsilon}=({\epsilon}_{1},...,{\epsilon}_{2n})\in\{0,1\}^{2n} where ϵi\epsilon_{i} is the indicator of whether the ii-th row of A0A_{0} (defined in Step 2 of Algorithm 1) belongs to the planted clique or not, and γ=(γ1,...,γ2n){\gamma}=({\gamma}_{1},...,{\gamma}_{2n}) the indicators of the columns of A0A_{0}. In what follows, we discuss the distributions of WW when A∼H0GA\sim H_{0}^{G} and H1GH_{1}^{G}, respectively.

When A∼H0GA\sim H_{0}^{G}, the ϵi\epsilon_{i}’s and γj\gamma_{j}’s are all zeros. In this case, we can verify that the entries of WW are mutually independent and for each (i,j)(i,j) the marginal distribution of WijW_{ij} is close to the N(0,1)N(0,1) distribution (c.f., Lemma 7.1 in the supplement ). Hence, the rows of WW are close to i.i.d. random vectors from the Np(0,Ip)N_{p}(0,I_{p}) distribution. Since θ^=θ^(W1,…,Wn)\widehat{\theta}=\widehat{\theta}(W_{1},\dots,W_{n}) is independent of {Wi}i=n+12n\{W_{i}\}_{i=n+1}^{2n}, the LHS of (40) is close in distribution to a χn2\chi^{2}_{n} random variable scaled by nn which concentrates around its expected value one. Indeed, it is upper bounded by 1+O(log⁡(n)/n)1+O(\sqrt{\log(n)/n}) with high probability.

If A∼H1GA\sim H_{1}^{G}, then the (i,j)(i,j)-th entry of A0A_{0} is an edge in the planted clique if and only if ϵi=γj=1\epsilon_{i}=\gamma_{j}=1. Moreover, the joint distribution of {ϵ1,…,ϵ2n,γ1,…,γ2n}\{\epsilon_{1},\dots,\epsilon_{2n},\gamma_{1},\dots,\gamma_{2n}\} is close to that of 4n4n i.i.d. Bernoulli random variables {ϵ~1,…,ϵ~2n,γ~1,…,γ~2n}\{\widetilde{\epsilon}_{1},\dots,\widetilde{\epsilon}_{2n},\widetilde{\gamma}_{1},\dots,\widetilde{\gamma}_{2n}\} with success probability δN=k/N\delta_{N}=k/N. For simplicity, suppose that these indicators are indeed i.i.d. Bernoulli(δN\delta_{N}) variables {ϵ~1,…,ϵ~2n,γ~1,…,γ~2n}\{\widetilde{\epsilon}_{1},\dots,\widetilde{\epsilon}_{2n},\widetilde{\gamma}_{1},\dots,\widetilde{\gamma}_{2n}\}. Then, one can show that conditioning on γ~j=0\widetilde{\gamma}_{j}=0, for any i∈[2n]i\in[2n], the conditional distribution of (Wij∣γ~j=0)(W_{ij}|\widetilde{\gamma}_{j}=0), after integrating over the conditional distribution of ϵ~i\widetilde{\epsilon}_{i}, μi\mu_{i} and (A0)ij(A_{0})_{ij}, is approximately N(0,1)N(0,1). In contrast, conditioning on γ~j=1\widetilde{\gamma}_{j}=1, for any i∈[2n]i\in[2n], the conditional distribution of (Wij∣γ~j=1)(W_{ij}|\widetilde{\gamma}_{j}=1) is approximately N(0,1+ηN)N(0,1+\eta_{N}). Therefore, conditioning on γ~\widetilde{\gamma} the distribution of the WiW_{i}’s is close to that of 2n2n i.i.d. random vectors sampled from

i.e., a Gaussian spiked covariance model in (25). Here, the leading eigenvector θ\theta has sparsity level ∣supp(θ)∣=∣supp(γ~)∣=∑jγ~j|{\rm supp}(\theta)|=|{\rm supp}(\widetilde{\gamma})|=\sum_{j}\widetilde{\gamma}_{j}, which concentrates around its mean value nδN≍kn\delta_{N}\asymp k if N≍nN\asymp n. Thus, if θ^\widehat{\theta} estimates θ\theta well, then the LHS of (40) approximately follows a non-central χn\chi_{n} distribution scaled by nn, which should exceed 1+O(log⁡(n)/n)1+O(\sqrt{\log(n)/n}) 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 θ^\widehat{\theta} 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 c>0c>0, assume N(log⁡N)5k4≤c\frac{N(\log N)^{5}}{k^{4}}\leq c, cN≤n≤N/12cN\leq n\leq N/12 and p≥2np\geq 2n. Then, for any θ^\widehat{\theta} such that

the test ψ\psi defined by (30) – (33) satisfies

for sufficiently large nn with some constants C,C′>0C,C^{\prime}>0.

If the estimator θ^\widehat{\theta} is uniformly consistent over Q(n,3k/2,p,kηN/2)\mathcal{Q}(n,3k/2,p,k\eta_{N}/2), then β\beta is close to zero. Hence the conclusion of Theorem 5.2 implies that for appropriate growing sequences of n,Nn,N and kk, 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 n→∞n\rightarrow\infty, 2n≤p≤na2n\leq p\leq n^{a} for some constant a>1a>1, n(log⁡n)5≤cs4n(\log n)^{5}\leq cs^{4} for some sufficiently small c>0c>0, and λ=s22430n(log⁡(12n))2\lambda=\frac{s^{2}}{2430n(\log(12n))^{2}}. If for some δ∈(0,2)\delta\in(0,2),

then for any randomized polynomial-time estimator θ^\widehat{\theta},

Under the same condition of Theorem 5.3, for any randomized polynomial-time test ϕ\phi 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 Wi∼iidNp(0,τθθ′+Ip)W_{i}\stackrel{{\scriptstyle iid}}{{\sim}}N_{p}(0,\tau\theta\theta^{\prime}+I_{p}), then (Xi′,Yi′)′∼iidNp+m(0,Σ)(X_{i}^{\prime},Y_{i}^{\prime})^{\prime}\stackrel{{\scriptstyle iid}}{{\sim}}N_{p+m}(0,\Sigma) where

with u=v=θτ/2+1, λ=τ/2τ/2+1u=v=\frac{\theta}{\sqrt{\tau/2+1}},\,\lambda=\frac{\tau/2}{\tau/2+1}. This is a special case of the Gaussian canonical pair model (2). Thus, the leading eigenvector of WiW_{i} aligns with the leading canonical coefficient vectors of (Xi,Yi)(X_{i},Y_{i}). Exploiting this connection, we obtain the following theorem.

Consider p=mp=m, su=svs_{u}=s_{v} and λ≤1\lambda\leq 1. Then for any u^\widehat{u} such that

the estimator θ^\widehat{\theta} defined by Algorithm 2 satisfies

If we start with an estimator u^\widehat{u} 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 θ^\widehat{\theta} from u^\widehat{u} 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 Σ^x(0)\widehat{\Sigma}^{(0)}_{x} and Σ^y(0)\widehat{\Sigma}^{(0)}_{y}, while the truth UU and VV is normalized with respect to Σx\Sigma_{x} and Σy\Sigma_{y}. To address this issue, we normalize the truth with respect to Σ^x(0)\widehat{\Sigma}_{x}^{(0)} and Σ^y(0)\widehat{\Sigma}_{y}^{(0)} to obtain U~=U(U′Σ^x(0)U)−1/2\widetilde{U}=U(U^{\prime}\widehat{\Sigma}_{x}^{(0)}U)^{-1/2} and V~=V(V′Σ^y(0)V)−1/2\widetilde{V}=V(V^{\prime}\widehat{\Sigma}_{y}^{(0)}V)^{-1/2}. Also define Λ~=(U′Σ^x(0)U)1/2Λ(V′Σ^y(0)V)1/2\widetilde{\Lambda}=(U^{\prime}\widehat{\Sigma}_{x}^{(0)}U)^{1/2}\Lambda(V^{\prime}\widehat{\Sigma}_{y}^{(0)}V)^{1/2}. For notational convenience, define

The following lemma bounds the normalization effect.

Assume ϵn,u2+ϵn,v2≤c\epsilon_{n,u}^{2}+\epsilon_{n,v}^{2}\leq c for some sufficiently small constant c∈(0,1)c\in(0,1). Then there exist some constants C,C′>0C,C^{\prime}>0 only depending on cc such that

with probability at least 1−exp⁡(−C′(su+log⁡(ep/su)))−exp⁡(−C′(sv+log⁡(em/sv)))1-\exp\left(-C^{\prime}(s_{u}+\log(ep/s_{u}))\right)-\exp\left(-C^{\prime}(s_{v}+\log(em/s_{v}))\right).

Using the definitions of U~\widetilde{U} and V~\widetilde{V}, let us state the following lemma, which asserts that the matrix A~=U~V~′\widetilde{A}=\widetilde{U}\widetilde{V}^{\prime} is feasible to the optimization problem (18).

Define A~=U~V~′\widetilde{A}=\widetilde{U}\widetilde{V}^{\prime}. When A~\widetilde{A} exists, we have

As was argued in Section 4.1, the set Cr\mathcal{C}_{r} is the convex hull of Or\mathcal{O}_{r}. The following curvature lemma shows that the relaxation Cr\mathcal{C}_{r} 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 r[log⁡(p+m)]/n≤cr\sqrt{{[\log(p+m)]}/{n}}\leq c for some sufficiently small constant c∈(0,1)c\in(0,1). Then there exist some constants C,C′>0C,C^{\prime}>0 only depending on MM and cc such that ∣∣Σ^xy(0)−Σ~xy∣∣∞≤C[log⁡(p+m)]/n||\widehat{\Sigma}_{xy}^{(0)}-\widetilde{\Sigma}_{xy}||_{\infty}\leq C\sqrt{{[\log(p+m)]}/{n}}, with probability at least 1−(p+m)−C′1-(p+m)^{-C^{\prime}}.

We also need a lemma on restricted eigenvalue. For any p.s.d. matrix BB, 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 c>0c>0. Then there exist some constants C,C′>0C,C^{\prime}>0 only depending on MM and cc such that for δu(ku)=(ku∧p)log⁡(ep/(ku∧p))n\delta_{u}(k_{u})=\sqrt{\frac{(k_{u}\wedge p)\log(ep/(k_{u}\wedge p))}{n}} and δv(kv)=(kv∧m)log⁡(em/(kv∧m))n\delta_{v}(k_{v})=\sqrt{\frac{(k_{v}\wedge m)\log(em/(k_{v}\wedge m))}{n}}, 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 j=0,1,2j=0,1,2.

Finally, we need a result on subspace distance. Recall that for a matrix FF, PFP_{F} denotes the projection matrix onto its column subspace.

If further G∈O(d,r)G\in O(d,r), then inf⁡W∈O(r,r)∥F−GW∥F2=12∥PF−PG∥F2.\inf_{W\in O(r,r)}\|F-GW\|_{\rm F}^{2}=\frac{1}{2}\|P_{F}-P_{G}\|_{\rm F}^{2}.

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 Σ^x(0)\widehat{\Sigma}_{x}^{(0)}, Σ^y(0)\widehat{\Sigma}_{y}^{(0)} and Σ^xy(0)\widehat{\Sigma}_{xy}^{(0)} by Σ^x\widehat{\Sigma}_{x}, Σ^y\widehat{\Sigma}_{y} and Σ^xy\widehat{\Sigma}_{xy} for notational convenience. We also let Δ=A^−A~\Delta=\widehat{A}-\widetilde{A}. The proof consists of two steps. In the first step, we are going to derive an upper bound for ∥Σ^x1/2ΔΣ^y1/2∥F\|\widehat{\Sigma}_{x}^{1/2}\Delta\widehat{\Sigma}_{y}^{1/2}\|_{\rm F}. In the second step, we derive a generalized cone condition and use it to lower bound ∥Σ^x1/2ΔΣ^y1/2∥F\|\widehat{\Sigma}_{x}^{1/2}\Delta\widehat{\Sigma}_{y}^{1/2}\|_{\rm F} by a constant multiple of ∥Δ∥F\|\Delta\|_{\rm F} and hence the upper bound on ∥Σ^x1/2ΔΣ^y1/2∥F\|\widehat{\Sigma}_{x}^{1/2}\Delta\widehat{\Sigma}_{y}^{1/2}\|_{\rm F} leads to an upper bound on ∥Δ∥F\|\Delta\|_{\rm F}.

Step 1. By Lemma 6.1, U~\widetilde{U} and V~\widetilde{V} are well-defined with high probability. Thus, A~\widetilde{A} is well-defined with high probability, and we have

with probability at least 1−exp⁡(−C′(su+log⁡(ep/su)))−exp⁡(−C′(sv+log⁡(em/sv)))1-\exp\left(-C^{\prime}(s_{u}+\log(ep/s_{u}))\right)-\exp\left(-C^{\prime}(s_{v}+\log(em/s_{v}))\right). According to Lemma 6.2, A~\widetilde{A} is feasible. Then, by the definition of A^\widehat{A}, we have

where Σ~xy\widetilde{\Sigma}_{xy} 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 ⟨Σ^xy−Σ~xy,Δ⟩≤∣∣Σ^xy−Σ~xy∣∣∞∣∣Δ∣∣1\langle\widehat{\Sigma}_{xy}-\widetilde{\Sigma}_{xy},\Delta\rangle\leq||\widehat{\Sigma}_{xy}-\widetilde{\Sigma}_{xy}||_{\infty}||\Delta||_{1}. Thus when

Using Lemma 6.3, we can lower bound the left hand side of (49) as

where δ=∥Λ~−Λ∥F\delta=\|\widetilde{\Lambda}-\Lambda\|_{\rm F}. 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 ∣∣ΔSuSv∣∣1≤susvρ∥ΔSuSv∥F||\Delta_{S_{u}S_{v}}||_{1}\leq\sqrt{s_{u}s_{v}}\rho\|\Delta_{S_{u}S_{v}}\|_{\rm F} and (53), we have

Step 2. By (54), we have obtained the following condition

Due to the existence of the extra term 5δ2/(ρλr)5\delta^{2}/(\rho\lambda_{r}) on the RHS, we call it a generalized cone condition. In this step, we are going to lower bound ∥Σ^x1/2ΔΣ^y1/2∥F\|\widehat{\Sigma}_{x}^{1/2}\Delta\widehat{\Sigma}_{y}^{1/2}\|_{\rm F} by ∥Δ∥F\|\Delta\|_{\rm F} on the generalized cone. Motivated by the argument in , let the index set J1={(ik,jk)}k=1tJ_{1}=\{(i_{k},j_{k})\}_{k=1}^{t} in (Su×Sv)c(S_{u}\times S_{v})^{c} correspond to the entries with the largest absolute values in Δ\Delta, and we define the set J~=(Su×Sv)∪J1\widetilde{J}=(S_{u}\times S_{v})\cup J_{1}. Now we partition J~c\widetilde{J}^{c} into disjoint subsets J2,...,JKJ_{2},...,J_{K} of size tt (with ∣JK∣≤t|J_{K}|\leq t), such that JkJ_{k} is the set of (double) indices corresponding to the entries of tt largest absolute values in Δ\Delta outside J~∪⋃j=2k−1Jj\widetilde{J}\cup\bigcup_{j=2}^{k-1}J_{j}. By triangle inequality,

where we have used the generalized cone condition (56). Hence, we have the lower bound

Taking t=c1susvt=c_{1}s_{u}s_{v} for some sufficiently large constant c1>1c_{1}>1, with high probability, κ1\kappa_{1} can be lower bounded by a positive constant κ0\kappa_{0} only depending on MM. To see this, note that by Lemma 6.5, (58) can be lower bounded by the difference of M−1−Cδu(2c1susv)M−1−Cδv(2c1susv)\sqrt{M^{-1}-C\delta_{u}(2c_{1}s_{u}s_{v})}\sqrt{M^{-1}-C\delta_{v}(2c_{1}s_{u}s_{v})} and 9c1−1/2M+Cδu(c1susv)M+Cδv(c1susv)9c_{1}^{-1/2}\sqrt{M+C\delta_{u}(c_{1}s_{u}s_{v})}\sqrt{M+C\delta_{v}(c_{1}s_{u}s_{v})}, where δu\delta_{u} and δv\delta_{v} are defined as in Lemma 6.5. It is sufficient to show that δu(2c1susv)\delta_{u}(2c_{1}s_{u}s_{v}), δv(2c1susv)\delta_{v}(2c_{1}s_{u}s_{v}), δu(c1susv)\delta_{u}(c_{1}s_{u}s_{v}) and δv(c1susv)\delta_{v}(c_{1}s_{u}s_{v}) are sufficiently small to get a positive absolute constant κ0\kappa_{0}. For the first term, when 2c1susv≤p2c_{1}s_{u}s_{v}\leq p, it is bounded by 2c1susvlog⁡(ep)n\frac{2c_{1}s_{u}s_{v}\log(ep)}{n} and is sufficiently small under the assumption (13). When 2c1susv>p2c_{1}s_{u}s_{v}>p, it is bounded by 2c1susvn\frac{2c_{1}s_{u}s_{v}}{n} and is also sufficiently small under (13). The same argument also holds for the other terms. Similarly, κ2\kappa_{2} can be upper bounded by some constant.

Together with (55), this brings the inequality

Summing (59) and (60), we obtain a bound for ∥Δ∥F\|\Delta\|_{\rm F}. According to Lemma 6.4, we may choose ρ=γ[log⁡(p+m)]/n\rho=\gamma\sqrt{[{\log(p+m)}]/{n}} for some large γ\gamma, so that (48) holds with high probability. By Lemma 6.1, δ≤Cr(su+sv+log⁡(p+m))/n≤C′ρt\delta\leq C\sqrt{{r(s_{u}+s_{v}+\log(p+m))}/{n}}\leq C^{\prime}\rho\sqrt{t} with high probability. Hence,

with high probability. This completes the second step. Finally, the triangle inequality leads to ∥A^−UV′∥F≤∥Δ∥F+∥A~−UV′∥F\|\widehat{A}-UV^{\prime}\|_{\rm F}\leq\|\Delta\|_{\rm F}+\|\widetilde{A}-UV^{\prime}\|_{\rm F}. By (46) and (61), the proof is complete. ∎

2 Proof of Theorem 4.2

Define U∗=UΛV′ΣyV^(0)U^{*}=U\Lambda V^{\prime}\Sigma_{y}\widehat{V}^{(0)} and Δ=U^(1)−U∗\Delta=\widehat{U}^{(1)}-U^{*}.

Assume r+log⁡pn≤c\frac{r+\log p}{n}\leq c for some sufficiently small constant c∈(0,1)c\in(0,1). Then there exist some constants C,C′>0C,C^{\prime}>0 only depending on MM and cc such that max⁡1≤j≤p∣∣[Σ^xy(1)V^(0)−Σ^x(1)U∗]j⋅∣∣≤C(r+log⁡p)/n\max_{1\leq j\leq p}||[\widehat{\Sigma}^{(1)}_{xy}\widehat{V}^{(0)}-\widehat{\Sigma}^{(1)}_{x}U^{*}]_{j\cdot}||\leq C\sqrt{{(r+\log p)}/{n}}, 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 Σ^x(1)\widehat{\Sigma}_{x}^{(1)}, Σ^y(1)\widehat{\Sigma}_{y}^{(1)} and Σ^xy(1)\widehat{\Sigma}_{xy}^{(1)} by Σ^x\widehat{\Sigma}_{x}, Σ^y\widehat{\Sigma}_{y} and Σ^xy\widehat{\Sigma}_{xy} for simplicity of notation. Note that they depends on D1\mathcal{D}_{1}, while the estimator V^(0)\widehat{V}^{(0)} depends on D0\mathcal{D}_{0}. Hence, V^(0)\widehat{V}^{(0)} 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 Tr(Δ′Σ^xΔ)\mathop{\sf Tr}(\Delta^{\prime}\widehat{\Sigma}_{x}\Delta). In the second step, we derive a cone condition and use it to obtain a bound for ∥Δ∥F\|\Delta\|_{\rm F} by arguing that Tr(Δ′Σ^xΔ)\mathop{\sf Tr}(\Delta^{\prime}\widehat{\Sigma}_{x}\Delta) upper bounds ∥Δ∥F\|\Delta\|_{\rm F}. In the last step, we derive the desired bound for L(U^,U)L(\widehat{U},U).

Step 1. By definition of U^(1)\widehat{U}^{(1)}, we have Tr((U^(1))′Σ^xU^(1))−2Tr((U^(1))′Σ^xyV^(0))+ρu∑j=1p∣∣U^j⋅(1)∣∣≤Tr((U∗)′Σ^xU∗)−2Tr((U∗)′Σ^xyV^(0))+ρu∑j=1p∣∣Uj⋅∗∣∣\mathop{\sf Tr}((\widehat{U}^{(1)})^{\prime}\widehat{\Sigma}_{x}\widehat{U}^{(1)})-2\mathop{\sf Tr}((\widehat{U}^{(1)})^{\prime}\widehat{\Sigma}_{xy}\widehat{V}^{(0)})+\rho_{u}{\sum_{j=1}^{p}||\widehat{U}^{(1)}_{j\cdot}||}\leq\mathop{\sf Tr}((U^{*})^{\prime}\widehat{\Sigma}_{x}U^{*})-2\mathop{\sf Tr}((U^{*})^{\prime}\widehat{\Sigma}_{xy}\widehat{V}^{(0)})+\rho_{u}{\sum_{j=1}^{p}||U^{*}_{j\cdot}||}. 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 [⋅]j⋅[\cdot]_{j\cdot} means the jj-th row of the corresponding matrix. When

Since ∑j∈Su∣∣Δj⋅∣∣≤su∑j∈Su∣∣Δj⋅∣∣2\sum_{j\in S_{u}}||\Delta_{j\cdot}||\leq\sqrt{s_{u}}\sqrt{\sum_{j\in S_{u}}||\Delta_{j\cdot}||^{2}}, (64) can be upper bounded by

Step 2. The inequality (64) implies the cone condition

where for a subset B⊂[p]B\subset[p], ΔB∗=(Δij1{i∈B,j∈[r]})\Delta_{B*}=(\Delta_{ij}{\mathbf{1}_{\left\{{i\in B,j\in[r]}\right\}}}), and

In the above derivation, we have used the construction of JkJ_{k} and the cone condition (66). Hence, ∥n−1/2XΔ∥F≥κ∥ΔS~u∗∥F\|n^{-1/2}X\Delta\|_{\rm F}\geq\kappa\|\Delta_{\widetilde{S}_{u}*}\|_{\rm F} with κ=ϕmin⁡Σ^x(su+t)−3sutϕmax⁡Σ^x(t)\kappa=\sqrt{\phi_{\min}^{\widehat{\Sigma}_{x}}(s_{u}+t)}-3\sqrt{\frac{s_{u}}{t}}\sqrt{\phi_{\max}^{\widehat{\Sigma}_{x}}(t)}. In view of Lemma 6.5, taking t=c1sut=c_{1}s_{u} for some sufficiently large constant c1c_{1}, with high probability, κ\kappa can be lower bounded by a positive constant κ0\kappa_{0} only depending on MM. Combining with (65), we have

Summing (69) and (70), we have ∥Δ∥F≤Csuρ\|\Delta\|_{\rm F}\leq C\sqrt{s_{u}}\rho. By Lemma 6.7, we may choose ρu≥γur+log⁡pn\rho_{u}\geq\gamma_{u}\sqrt{\frac{r+\log p}{n}} for some large γu\gamma_{u} so that (63) holds with high probability. Hence, ∥Δ∥F≤Csu(r+log⁡p)/n\|\Delta\|_{\rm F}\leq C\sqrt{{s_{u}(r+\log p)}/{n}} 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 L(U^,U)L(\widehat{U},U). 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 C>0C>0, such that for all integers N≥12N\geq 12, k≤N/12k\leq N/12 and all ∣μ∣≤3ηNlog⁡N|\mu|\leq 3\sqrt{\eta_{N}\log N},

where hμ,0=12(fμ,0+fμ,1)h_{\mu,0}=\frac{1}{2}(f_{\mu,0}+f_{\mu,1}) and hμ,1=δNfμ,1+(1−δN)12(fμ,0+fμ,1)h_{\mu,1}=\delta_{N}f_{\mu,1}+\left(1-\delta_{N}\right)\frac{1}{2}(f_{\mu,0}+f_{\mu,1}).

Suppose A∼G(N,1/2)A\sim\mathcal{G}(N,1/2). There exists an absolute constant C>0C>0 such that

Recall ηN\eta_{N} defined in (26) and hμ,0h_{\mu,0} in Lemma 7.1. Let ν\nu be N(0,ηN)N\left(0,\eta_{N}\right), and νˉ\bar{\nu} be the distribution obtained by restricting ν\nu on the set [−3ηNlog⁡N,3ηNlog⁡N][-3\sqrt{\eta_{N}\log N},3\sqrt{\eta_{N}\log N}]. Then the μi\mu_{i}’s in (30) are i.i.d. r.v.’s following the distribution νˉ\bar{\nu}.

Hence, it is sufficient to bound TV(L({Wi}i=1n),L({W‾i}i=1n)){\sf TV}(\mathcal{L}(\{W_{i}\}_{i=1}^{n}),\mathcal{L}(\{\overline{W}_{i}\}_{i=1}^{n})). Conditioning on μi\mu_{i}, WijW_{ij} follows hμi,0h_{\mu_{i},0} when A∼G(N,k)A\sim\mathcal{G}(N,k). Therefore,

Here the last inequality is due to Lemma 7.1. Applying Lemma 7 of , we obtain TV(L({Wi}i=1n),L({W‾i}i=1n))≤∑i=1n∑j=1nTV(Wij,W‾ij)≤CN−1{\sf TV}(\mathcal{L}(\{W_{i}\}_{i=1}^{n}),\mathcal{L}(\{\overline{W}_{i}\}_{i=1}^{n}))\leq\sum_{i=1}^{n}\sum_{j=1}^{n}{\sf TV}(W_{ij},\overline{W}_{ij})\leq CN^{-1}. This completes the proof. ∎

Suppose A∼G(N,1/2,k)A\sim\mathcal{G}(N,1/2,k). There exists a distribution π\pi supported on the set

such that for some absolute constants C1,C2>0C_{1},C_{2}>0,

We first focus on the case p=2np=2n. The case of p≥2np\geq 2n will be treated at the end of the proof. Recall that (ϵ1,...,ϵ2n)({\epsilon}_{1},...,{\epsilon}_{2n}) are the indicators of the rows of A0A_{0} whether the corresponding vertices belong to the planted clique, and (γ1,...,γp)({\gamma}_{1},...,{\gamma}_{p}) are the corresponding indicators of the columns of A0A_{0}. Let (ϵ~1,...,ϵ~2n)(\widetilde{\epsilon}_{1},...,\widetilde{\epsilon}_{2n}) and (γ~1,...,γ~p)(\widetilde{\gamma}_{1},...,\widetilde{\gamma}_{p}) be i.i.d. Bernoulli random variables with mean δN=k/N\delta_{N}=k/N. Define a matrix A~0\widetilde{A}_{0}, where an entry (A~0)ij=1(\widetilde{A}_{0})_{ij}=1 if ϵ~i=γ~j=1\widetilde{\epsilon}_{i}=\widetilde{\gamma}_{j}=1 and is an independent instantiation of the Bernoulli(1/2)(1/2) distribution otherwise. Then, we define W~\widetilde{W} with entries

Then, by Theorem 4 of and the data-processing inequality, we have

Recall hμ,0h_{\mu,0} and hμ,1h_{\mu,1} defined in Lemma 7.1. By the definition of W~\widetilde{W}, conditioning on μi\mu_{i} and γ~j=0\widetilde{\gamma}_{j}=0, W~ij∼hμi,0\widetilde{W}_{ij}\sim h_{\mu_{i},0}, while conditioning on μi\mu_{i} and γ~j=1\widetilde{\gamma}_{j}=1, W~ij∼hμi,1\widetilde{W}_{ij}\sim h_{\mu_{i},1}.

Further define W‾ij\overline{W}_{ij} by setting

where ϕˉμi\bar{\phi}_{\mu_{i}} is defined according to (27). By Lemma 7.1 and Lemma 7 of , uniformly over max⁡i∣μi∣≤3ηNlog⁡N\max_{i}|\mu_{i}|\leq 3\sqrt{\eta_{N}\log N}, we have

Next, we integrate the above bound over μ\mu. To this end, first note that

Abbreviate 1n∑i=n+12nWiWi′\frac{1}{n}\sum_{i=n+1}^{2n}W_{i}W_{i}^{\prime} by Σ^\widehat{\Sigma}. We can rewrite the testing function ψ\psi as

Here, μ=(μ1,…,μ2n)\mu=(\mu_{1},\dots,\mu_{2n}) collects the random variables in (30). Thus, it is clear that ψ\psi is a randomized test for the Planted Clique detection problem (22). Note that for any (θ,τ)(\theta,\tau) in the support of π\pi, we have

We now bound the testing errors. For Type-I error, Lemma 7.2 implies

with probability at most exp⁡(−Cnk4N2(log⁡N)4)\exp\left(-\frac{Cnk^{4}}{N^{2}(\log N)^{4}}\right). Integrating over θ^\widehat{\theta}, we have

where the last inequality holds under the assumptions N(log⁡N)5k4≤c\frac{N(\log N)^{5}}{k^{4}}\leq c and cN≤n≤N/12cN\leq n\leq N/12 for some sufficiently small constant c>0c>0.

Turn to the Type-II error. Lemma 7.3 implies

where min⁡{∣(θ^−θ)′θ∣2,∣(θ^+θ)′θ∣2}\min\{|(\widehat{\theta}-\theta)^{\prime}\theta|^{2},|(\widehat{\theta}+\theta)^{\prime}\theta|^{2}\} 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 (θ,τ)(\theta,\tau) pair in the support of π\pi,

Combining the above analysis and using the assumptions that N(log⁡N)5k4≤c\frac{N(\log N)^{5}}{k^{4}}\leq c and cN≤n≤N/12cN\leq n\leq N/12, we have

Integrating over (θ,τ)(\theta,\tau) according to the prior π\pi 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 Wi∼Np(0,τθθ′+Ip)W_{i}\sim N_{p}(0,\tau\theta\theta^{\prime}+I_{p}), then (Xi′,Yi′)′∼Np+m(0,Σ)(X_{i}^{\prime},Y_{i}^{\prime})^{\prime}\sim N_{p+m}(0,\Sigma) with Σ\Sigma 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 ∣μ∣≤3ηNlog⁡N|\mu|\leq 3\sqrt{\eta_{N}\log N}, which is a corollary of the following lemma.

If k≤N/12k\leq N/12, ∣μ∣≤3ηNlog⁡N|\mu|\leq 3\sqrt{\eta_{N}\log N} and ∣x∣≤3log⁡N|x|\leq 3\sqrt{\log N}, then

Under the conditions of the lemma, we have ∣μx∣+μ22≤12|\mu x|+\frac{\mu^{2}}{2}\leq\frac{1}{2}, 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 C>0C>0 such that for any ∣μ∣≤1|\mu|\leq 1, ∣Mi−1∣≤CN−4|M_{i}-1|\leq CN^{-4} for i=0,1i=0,1.

The integral on the RHS is upper bounded by

where the last inequality comes from standard Gaussian tail bounds. This readily implies ∣M0−1∣≤CN−4|M_{0}-1|\leq CN^{-4} The desired bound on M1M_{1} follows from similar arguments. ∎

where the last inequality is due to the identity ϕ0=12(g0+g1)\phi_{0}=\frac{1}{2}(g_{0}+g_{1}) and (79). In addition, we have

Here, the last inequality is due to the identity δNg1+1−δN2(g0+g1)=ϕˉμ\delta_{N}g_{1}+\frac{1-\delta_{N}}{2}\left(g_{0}+g_{1}\right)=\bar{\phi}_{\mu} 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 nn i.i.d. samples from all multivariate Gaussian distributions with spectrum contained in [1/M,M][1/M,M], 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 2tt−1/2≥2(pM)3/22^{t}t^{-1/2}\geq 2(pM)^{3/2}, the Le Cam distance between EM(p,n)\mathcal{E}_{M}^{(p,n)} and EM(p,n,t)\mathcal{E}_{M}^{(p,n,t)} satisfies Δ(EM(p,n),EM(p,n,t))≤n(pM)3/2t1/22−t\Delta(\mathcal{E}_{M}^{(p,n)},\mathcal{E}_{M}^{(p,n,t)})\leq n(pM)^{3/2}t^{1/2}2^{-t}.

and discretized sparse CCA probability space as

In view of Theorem 5.1, we are primarily interested in P(n,su,sv,p,m,1,λ;3)\mathcal{P}(n,s_{u},s_{v},p,m,1,\lambda;3) and its discretized counterpart.

For the sparse PCA parameter spaces, with the choice of n,s,pn,s,p and λ\lambda in Theorem 5.3, under condition (35), Q(n,s,p,λ)⊂E4(p,n)\mathcal{Q}(n,s,p,\lambda)\subset\mathcal{E}_{4}^{(p,n)} and Qt(n,s,p,λ)⊂E4(p,n,t)\mathcal{Q}^{t}(n,s,p,\lambda)\subset\mathcal{E}_{4}^{(p,n,t)}. Thus, if we set the discretization level at t=⌈4log⁡2(p+n)⌉t=\lceil 4\log_{2}(p+n)\rceil, then Q(n,s,p,λ)\mathcal{Q}(n,s,p,\lambda) and Qt(n,s,p,λ)\mathcal{Q}^{t}(n,s,p,\lambda) are asymptotically equivalent. Similarly, with the choice of n,su,sv,p,m,λn,s_{u},s_{v},p,m,\lambda in Theorem 5.1, under condition (23), when t=⌈4log⁡2(p+m+n)⌉t=\lceil 4\log_{2}(p+m+n)\rceil, P(n,su,sv,p,m,1,λ;3)⊂E5(p+m,n)\mathcal{P}(n,s_{u},s_{v},p,m,1,\lambda;3)\subset\mathcal{E}_{5}^{(p+m,n)} and Pt(n,su,sv,p,m,1,λ;3)⊂E5(p+m,n,t)\mathcal{P}^{t}(n,s_{u},s_{v},p,m,1,\lambda;3)\subset\mathcal{E}_{5}^{(p+m,n,t)} 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 t=⌈4log⁡2(p+n)⌉t=\lceil 4\log_{2}(p+n)\rceil. Under the condition of Theorem 5.3, for any randomized polynomial-time estimator θ^\widehat{\theta},

Let t=⌈4log⁡2(p+m+n)⌉t=\lceil 4\log_{2}(p+m+n)\rceil. Under the condition of Theorem 5.1, for any randomized polynomial-time estimator u^\widehat{u},

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), [⋅]b[\cdot]_{b} is the quantization defined previously in (80), and (84) ensures that Aw,b,K[F]\mathcal{A}_{w,b,K}[\mathcal{F}] 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 Aw,b,K[F]\mathcal{A}_{w,b,K}[\mathcal{F}] to the distribution of [U1{U∈[−2K,2K]}]w[U{\mathbf{1}_{\left\{{U\in[-2^{K},2^{K}]}\right\}}}]_{w} with U∼FU\sim\mathcal{F} is upper bounded by 2K+w+1−b2^{K+w+1-b}. As discussed in Section 4.2 of , regardless of the original distribution F\mathcal{F}, the computational complexity of drawing a random number from Aw,b,K(F)\mathcal{A}_{w,b,K}(\mathcal{F}) is O(b2K+w)O(b2^{K+w}). 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 θ^\widehat{\theta} 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 O(p8(log⁡p)3/2)O(p^{8}(\log p)^{3/2}), and in total, we need to generate no more than O(n(p+n))O(n(p+n)) random variables. Hence, the total complexity for random number generation is O(p10(log⁡p)3/2)O(p^{10}(\log p)^{3/2}) in view of the condition p≥2np\geq 2n. On the other hand, it is straightforward to verify that all the other computations (except for the estimator u^\widehat{u} or θ^\widehat{\theta}) have complexity no more than O(p10(log⁡p)3/2)O(p^{10}(\log p)^{3/2}). Since the conditions of Theorems 8.2 and 8.1 ensure that for some constant a>1a>1, 2n≤p≤na2n\leq p\leq n^{a} and n≤N/12n\leq N/12, we obtain that the additional computational complexity induced by the proposed reductions is O(N10a(log⁡N)3/2)O(N^{10a}(\log N)^{3/2}). Therefore, they are of randomized polynomial-time complexity.

3 Proof of Lemma 8.1

We need the following lemma for the proof.

For X∼Np(μ,Σ)X\sim N_{p}(\mu,\Sigma) with M−1≤σmin⁡(Σ)≤σmax⁡(Σ)≤MM^{-1}\leq\sigma_{\min}(\Sigma)\leq\sigma_{\max}(\Sigma)\leq M and U=(U1,…,Up)′U=(U_{1},\dots,U_{p})^{\prime} where Ui∼iidUnifU_{i}\stackrel{{\scriptstyle iid}}{{\sim}}\text{Unif}, we have for any t−1/22t≥2(pM)3/2t^{-1/2}2^{t}\geq 2(pM)^{3/2},

Since each distribution in EM(p,n,t)\mathcal{E}_{M}^{(p,n,t)} comes from discretizing a corresponding distribution in EM(p,n)\mathcal{E}_{M}^{(p,n)} on a grid with equal spacing 2−t2^{-t}, we have δ(EM(p,n),EM(p,n,t))=0\delta(\mathcal{E}_{M}^{(p,n)},\mathcal{E}_{M}^{(p,n,t)})=0. On the other hand, Lemma 8.2 and Lemma 7 of lead to δ(EM(p,n,t),EM(p,n))≤n(pM)3/2t1/22−t\delta(\mathcal{E}_{M}^{(p,n,t)},\mathcal{E}_{M}^{(p,n)})\leq n(pM)^{3/2}t^{1/2}2^{-t}. This completes the proof.

where ν\nu is the Lebesgue measure. Hence,

whenever p3/2MK2−t≤12p^{3/2}MK2^{-t}\leq\frac{1}{2}. The inequality (86) holds since

by Cauchy-Schwarz inequality. The inequality (87) holds because ∥Σ−1∥F≤p∥Σ−1∥op≤pM\|\Sigma^{-1}\|_{\rm F}\leq\sqrt{p}\|\Sigma^{-1}\|_{\rm op}\leq\sqrt{p}M and ∥(x−μ)(x−μ)′−(y−μ)(y−μ)′∥F≤p∣∣x−y∣∣∞(∣∣x−μ∣∣∞+∣∣y−μ∣∣∞)≤2pK2−t\|(x-\mu)(x-\mu)^{\prime}-(y-\mu)(y-\mu)^{\prime}\|_{\rm F}\leq p||x-y||_{\infty}(||x-\mu||_{\infty}+||y-\mu||_{\infty})\leq 2pK2^{-t}. Note that

According to Gaussian tail probability, the first term can be bounded by 2p2πMK−1e−(K−1)22M2p\sqrt{\frac{2}{\pi}}\frac{\sqrt{M}}{K-1}e^{-\frac{(K-1)^{2}}{2M}}. The second term is bounded by 32p3/2MK2−t\frac{3}{2}p^{3/2}MK2^{-t} according to our previous analysis. Choosing K=2Mtlog⁡2+1K=\sqrt{2Mt\log 2}+1, we obtain the bound 2(pM)3/2t1/22−t2(pM)^{3/2}t^{1/2}2^{-t} for all t−1/22t≥2(pM)3/2t^{-1/2}2^{t}\geq 2(pM)^{3/2}. The conclusion follows the simple fact that TV(X,[X]t+2−tU)=12∫∣f−g∣{\sf TV}(X,[X]_{t}+2^{-t}U)=\frac{1}{2}\int|f-g|. ∎

Additional Proofs

We first present a bound for the estimator defined by (9) under the joint loss.

Assume (13) for some sufficiently small c>0c>0. Then there exist constants C,C′>0C,C^{\prime}>0 only depending on cc 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 MM. Its proof is omitted given the similarity with that of Theorem 1 of .

Assume sulog⁡(ep/su)n≤c\frac{s_{u}\log(ep/s_{u})}{n}\leq c for some sufficiently small constant c∈(0,1)c\in(0,1). Then, there exist some constants C,C′>0C,C^{\prime}>0 only depending on cc, such that with probability at least 1−exp⁡(−C′sulog⁡(ep/su))1-\exp(-C^{\prime}s_{u}\log(ep/s_{u})),

Assume sulog⁡(ep/su)n≤c\frac{s_{u}\log(ep/s_{u})}{n}\leq c for some sufficiently small constant c>0c>0. Then, there exist some constants C,C′>0C,C^{\prime}>0 only depending on cc, such that

with probability at least 1−exp⁡(−C′sulog⁡(ep/su))1-\exp(-C^{\prime}s_{u}\log(ep/s_{u})), with δC′=Csulog⁡(ep/su)n.\delta_{C}^{\prime}=C\sqrt{\frac{s_{u}\log(ep/s_{u})}{n}}.

Assume 1n(svlog⁡(em/sv)+sulog⁡(ep/su)+rsu)≤c\frac{1}{n}\left(s_{v}\log(em/s_{v})+s_{u}\log(ep/s_{u})+rs_{u}\right)\leq c for some sufficiently small constant c>0c>0. Then, there exist some constants C,C′>0C,C^{\prime}>0 only depending on cc, such that

with probability at least 1−exp⁡(−C′(sulog⁡(ep/su)+rsu))−exp⁡(−C′svlog⁡(em/sv))1-\exp\left(-C^{\prime}(s_{u}\log(ep/s_{u})+rs_{u})\right)-\exp(-C^{\prime}s_{v}\log(em/s_{v})).

Assume 1n(svlog⁡(em/sv)+sulog⁡(ep/su)+rsu)≤c\frac{1}{n}\left(s_{v}\log(em/s_{v})+s_{u}\log(ep/s_{u})+rs_{u}\right)\leq c for some sufficiently small constant c>0c>0. Then, there exist some constants C,C′>0C,C^{\prime}>0 only depending on cc, such that

with probability at least 1−exp⁡(−C′(sulog⁡(ep/su)+rsu))−exp⁡(−C′svlog⁡(em/sv))1-\exp\left(-C^{\prime}(s_{u}\log(ep/s_{u})+rs_{u})\right)-\exp(-C^{\prime}s_{v}\log(em/s_{v})).

The proof consists of two steps. First, we derive a bound for ∥Σx1/2Δ∥F\|\Sigma_{x}^{1/2}\Delta\|_{\rm F}. Next, we derive the desired bound for L(U^,U)L(\widehat{U},U).

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 ∥Σx1/2Δ∥F2\|\Sigma_{x}^{1/2}\Delta\|_{\rm F}^{2}. This completes Step 1.

with high probability. The two claims (88) and (89) will be proved in the end. We bound L(U^,U)L(\widehat{U},U) 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 PΣ1/2U^=PΣ1/2U^(1)P_{\Sigma^{1/2}\widehat{U}}=P_{\Sigma^{1/2}\widehat{U}^{(1)}}. The inequality (9.1) is derived from the sin-theta theorem . Thus, we have obtained the desired bound for L(U^,U)L(\widehat{U},U). To finish the proof, we need to prove (88) and (89). Since Σx1/2U∈O(p,r)\Sigma_{x}^{1/2}U\in O(p,r), we have

Thus, it is sufficient to bound ∥(V′ΣyV^(0))−1∥op\|(V^{\prime}\Sigma_{y}\widehat{V}^{(0)})^{-1}\|_{\rm op}. By Theorem 9.1 and sin-theta theorem , ∥PΣy1/2V^(0)−PΣy1/2V∥F\|P_{\Sigma_{y}^{1/2}\widehat{V}^{(0)}}-P_{\Sigma_{y}^{1/2}V}\|_{\rm F} is sufficiently small. In view of Lemma 6.6, there exists W∈O(r,r)W\in O(r,r), such that

is sufficiently small. Therefore, together with Lemma 9.1,

is also sufficiently small. By Weyl’s inequality [20, p.449], ∣σmin⁡(V′ΣyV^(0))−1∣≤∥V′ΣyV^(0)−W∥op|\sigma_{\min}(V^{\prime}\Sigma_{y}\widehat{V}^{(0)})-1|\leq\|V^{\prime}\Sigma_{y}\widehat{V}^{(0)}-W\|_{\rm op} is sufficiently small. Hence, ∥(V′ΣyV^(0))−1∥op≤2\|(V^{\prime}\Sigma_{y}\widehat{V}^{(0)})^{-1}\|_{\rm op}\leq 2 with high probability, which implies the desired bound in (88). Finally, we need to prove (89). We have

We have already shown that ∥Σx1/2Δ∥F\|\Sigma_{x}^{1/2}\Delta\|_{\rm F} is sufficiently small. The term ∥Σx1/2UΛV′ΣyV^(0)∥F\|\Sigma_{x}^{1/2}U\Lambda V^{\prime}\Sigma_{y}\widehat{V}^{(0)}\|_{\rm F} is bounded by r∥V′ΣyV^(0)∥op≤r(1+∥V′ΣyV^(0)−W∥op)≤Cr\sqrt{r}\|V^{\prime}\Sigma_{y}\widehat{V}^{(0)}\|_{\rm op}\leq\sqrt{r}(1+\|V^{\prime}\Sigma_{y}\widehat{V}^{(0)}-W\|_{\rm op})\leq C\sqrt{r} by using the bound derived for ∥V′ΣyV^(0)−W∥op\|V^{\prime}\Sigma_{y}\widehat{V}^{(0)}-W\|_{\rm op}. To bound ∥(U^(1))′(Σ^x(2)−Σx)U^(1)∥op\|(\widehat{U}^{(1)})^{\prime}(\widehat{\Sigma}_{x}^{(2)}-\Sigma_{x})\widehat{U}^{(1)}\|_{\rm op}, note that Σ^x(2)\widehat{\Sigma}_{x}^{(2)} only depends on D2\mathcal{D}_{2} and is independent of U^(1)\widehat{U}^{(1)}. Using union bound and an ϵ\epsilon-net argument (see, for example, ) and the fact that r≤sur\leq s_{u} (which is implied by Σx1/2U∈O(p,r)\Sigma_{x}^{1/2}U\in O(p,r)), we have ∥(U^(1))′(Σ^x(2)−Σx)U^(1)∥op≤Crsu+sulog⁡(ep/su)n\|(\widehat{U}^{(1)})^{\prime}(\widehat{\Sigma}_{x}^{(2)}-\Sigma_{x})\widehat{U}^{(1)}\|_{\rm op}\leq C\sqrt{\frac{rs_{u}+s_{u}\log(ep/s_{u})}{n}} 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 Σx\Sigma_{x} lie in the interval [M1,M2][M_{1},M_{2}]. Then, we have

A similar inequality holds for L(V^,V)L(\widehat{V},V).

Let us first give an outline of the proof. By Proposition 9.2, we have

for any rate ϵ2\epsilon^{2}. Therefore, it is sufficient to derive a lower bound for the loss ∥PU^−PU∥F2\|P_{\widehat{U}}-P_{U}\|_{\rm F}^{2}. Without loss of generality, we assume su/3s_{u}/3 is an integer and su≤3p/4s_{u}\leq 3p/4. The case su>3p/4s_{u}>3p/4 is harder and thus it shares the same lower bound. The subset of covariance class F(p,m,su,sv,r,λ;M)\mathcal{F}(p,m,s_{u},s_{v},r,\lambda;M) we consider is

where V0=[Ir0′]′∈O(m,r)V_{0}=\begin{bmatrix}I_{r}&0^{\prime}\end{bmatrix}^{\prime}\in O(m,r) and BB is a subset of O(2su/3,r−1)O(2s_{u}/3,r-1) to be specified later. From the construction, UU depends on the matrix U~\widetilde{U} and the vector uru_{r}. As U~\widetilde{U} and uru_{r} vary, we always have U∈O(p,r)U\in O(p,r). We use T(ur∗)T(u_{r}^{*}) to denote a subset of TT where ur=ur∗u_{r}=u_{r}^{*} is fixed, and use T(U~∗)T(\widetilde{U}^{*}) to denote a subset of TT where U~=U~∗\widetilde{U}=\widetilde{U}^{*} is fixed.

The proof has three steps. In the first step, we derive the part rsunλ2\frac{rs_{u}}{n\lambda^{2}} using the subset T(ur∗)T(u_{r}^{*}) for some particular ur∗u_{r}^{*}. In the second step, we derive the other part sulog⁡(ep/su)nλ2\frac{s_{u}\log(ep/s_{u})}{n\lambda^{2}} using the subset T(U~∗)T(\widetilde{U}^{*}) for some fixed U~∗\widetilde{U}^{*}. Finally, we combine the two results in the third step.

Step 1. Let ur∗=(1,0,...,0)′u_{r}^{*}=(1,0,...,0)^{\prime}, and we consider the subset T(ur∗)T(u_{r}^{*}). Let U~0=[Ir−10′]′∈O(2su/3,r−1)\widetilde{U}_{0}=\begin{bmatrix}I_{r-1}&0^{\prime}\end{bmatrix}^{\prime}\in O(2s_{u}/3,r-1) and ϵ0∈(0,r]\epsilon_{0}\in(0,\sqrt{r}] to be specified later. Define

Here, the equality is due to the definition of V0V_{0} and the inequality due to the definition of B(ϵ0)B(\epsilon_{0}). We now establish a lower bound for the packing number of T(ur∗)T(u_{r}^{*}). For some α∈(0,1)\alpha\in(0,1) to be specified later, let {U~(1),…,U~(N)}⊂O(2su/3,r−1)\{\widetilde{U}_{(1)},\dots,\widetilde{U}_{(N)}\}\subset O(2s_{u}/3,r-1) be a maximal set such that for any i≠j∈[N]i\neq j\in[N],

Then by [13, Lemma 1], for some absolute constant C>1C>1,

It is easy to see that the loss function ∥PU(i)−PU(j)∥F2\|P_{U_{(i)}}-P_{U_{(j)}}\|_{\rm F}^{2} on the subset T(ur∗)T(u_{r}^{*}) equals ∥U~(i)U~(i)′−U~(j)U~(j)′∥F2\|\widetilde{U}_{(i)}\widetilde{U}_{(i)}^{\prime}-\widetilde{U}_{(j)}\widetilde{U}_{(j)}^{\prime}\|_{\rm F}^{2}. Thus, for ϵ=2αϵ0\epsilon=\sqrt{2}\alpha\epsilon_{0} with sufficiently small α\alpha, log⁡M(T(ur∗),ρ,ϵ)≥(r−1)(2su/3−r+1)log⁡1Cα≥(r−1)(16su−1)log⁡1Cα≥112rsulog⁡1Cα\log\mathcal{M}(T(u_{r}^{*}),\rho,\epsilon)\geq(r-1)(2s_{u}/3-r+1)\log\frac{1}{C\alpha}\geq(r-1)(\frac{1}{6}s_{u}-1)\log\frac{1}{C\alpha}\geq\frac{1}{12}rs_{u}\log\frac{1}{C\alpha} when rr is sufficiently large and r≤su/2r\leq s_{u}/2. Taking ϵ02=c1rsunλ2\epsilon_{0}^{2}=c_{1}\frac{rs_{u}}{n\lambda^{2}} for sufficiently small c1c_{1}, we have

Since λ\lambda is bounded away from 11, we may choose sufficiently small c1c_{1} and α\alpha, so that the right hand side of (95) can be lower bounded by 0.90.9. This completes the first step.

Step 2. The part sulog⁡(ep/su)nλ2\frac{s_{u}\log(ep/s_{u})}{n\lambda^{2}} can be obtained from the rank-one argument spelled out in . To be rigorous, consider the subset T(U~∗)T(\widetilde{U}^{*}) with U~∗=[Ir−10′]′∈O(2su/3,r−1)\widetilde{U}^{*}=\begin{bmatrix}I_{r-1}&0^{\prime}\end{bmatrix}^{\prime}\in O(2s_{u}/3,r-1). Restricting on the set T(U~∗)T(\widetilde{U}^{*}), the loss function is

for some constant C>0C>0. This completes the second step.

Taking sup⁡T(ur∗)∪T(U~∗)\sup_{T(u_{r}^{*})\cup T(\widetilde{U}^{*})} on both sides of the inequality, and letting ϵ12=C1rsunλ2\epsilon_{1}^{2}=C_{1}\frac{rs_{u}}{n\lambda^{2}} in (95) and ϵ22=C2sulog⁡(ep/su)nλ2∧c0\epsilon_{2}^{2}=C_{2}\frac{s_{u}\log(ep/s_{u})}{n\lambda^{2}}\wedge c_{0} in (96), we have

where we have used the identity sup⁡U~∈T(ur∗),ur∈T(U~∗)(f(ur)+g(U~))=sup⁡ur∈T(U~∗)f(ur)+sup⁡U~∈T(ur∗)g(U~)\sup_{\widetilde{U}\in T(u_{r}^{*}),u_{r}\in T(\widetilde{U}^{*})}(f(u_{r})+g(\widetilde{U}))=\sup_{u_{r}\in T(\widetilde{U}^{*})}f(u_{r})+\sup_{\widetilde{U}\in T(u_{r}^{*})}g(\widetilde{U}). Careful readers may notice that we have assume sufficiently large rr in Step 1. For rr 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 Σ^x(j)\widehat{\Sigma}_{x}^{(j)}, Σ^y(j)\widehat{\Sigma}_{y}^{(j)} and Σ^xy(j)\widehat{\Sigma}_{xy}^{(j)} by Σ^x\widehat{\Sigma}_{x}, Σ^y\widehat{\Sigma}_{y} and Σ^xy\widehat{\Sigma}_{xy} for j∈{0,1,2}j\in\{0,1,2\} whenever there is no confusion from the context.

In order to prove Lemma 6.1, we need an auxiliary result.

Assume 1n(su+sv+log⁡(ep/su)+log⁡(em/sv))≤c\frac{1}{n}(s_{u}+s_{v}+\log(ep/s_{u})+\log(em/s_{v}))\leq c for some sufficiently small constant c∈(0,1)c\in(0,1). Then there exist some constants C,C′>0C,C^{\prime}>0 only depending on cc such that

with probability at least 1−exp⁡(−C′(su+log⁡(ep/su)))−exp⁡(C′(sv+log⁡(em/sv)))1-\exp(-C^{\prime}(s_{u}+\log(ep/s_{u})))-\exp(C^{\prime}(s_{v}+\log(em/s_{v}))).

Using the definition of operator norm and the sparsity of UU, we have

where ∥ΣxSuSu1/2USu∗∥op2≤1\|\Sigma_{xS_{u}S_{u}}^{1/2}U_{S_{u}*}\|_{\rm op}^{2}\leq 1 and ∥ΣxSuSu−1/2Σ^xSuSuΣxSuSu−1/2−I∥op\|\Sigma_{xS_{u}S_{u}}^{-1/2}\widehat{\Sigma}_{xS_{u}S_{u}}\Sigma_{xS_{u}S_{u}}^{-1/2}-I\|_{\rm op} is bounded by the desired rate with high probability according to Lemma 16 in . Lemma 15 in implies ∥(U′Σ^xU)1/2−I∥op≤C∥U′Σ^xU−I∥op\|(U^{\prime}\widehat{\Sigma}_{x}U)^{1/2}-I\|_{\rm op}\leq C\|U^{\prime}\widehat{\Sigma}_{x}U-I\|_{\rm op}, and thus ∥(U′Σ^xU)1/2−I∥op\|(U^{\prime}\widehat{\Sigma}_{x}U)^{1/2}-I\|_{\rm op} also shares same upper bound. The upper bound for ∥V′Σ^yV−I∥op∨∥(V′Σ^yV)1/2−I∥op\|V^{\prime}\widehat{\Sigma}_{y}V-I\|_{\rm op}\vee\|(V^{\prime}\widehat{\Sigma}_{y}V)^{1/2}-I\|_{\rm op} can be derived by the same argument. Hence, the proof is complete. ∎

Applying Lemma 9.6, the proof is complete. ∎

By the definition of U~\widetilde{U}, we have U~′Σ^xU~=I\widetilde{U}^{\prime}\widehat{\Sigma}_{x}\widetilde{U}=I, and thus Σ^x1/2U~∈O(p,r)\widehat{\Sigma}_{x}^{1/2}\widetilde{U}\in O(p,r). Similarly Σ^y1/2V~∈O(m,r)\widehat{\Sigma}_{y}^{1/2}\widetilde{V}\in O(m,r). Thus,

Now let us use the notation Q=Σ^x1/2A~Σ^y1/2Q=\widehat{\Sigma}_{x}^{1/2}\widetilde{A}\widehat{\Sigma}_{y}^{1/2}. Then, by the definition of A~\widetilde{A}, we have Q′Q=Σ^y1/2V(V′Σ^yV)−1V′Σ^y1/2Q^{\prime}Q=\widehat{\Sigma}_{y}^{1/2}V(V^{\prime}\widehat{\Sigma}_{y}V)^{-1}V^{\prime}\widehat{\Sigma}_{y}^{1/2}, and

Combining (97) and (98), it is easy to see that all eigenvalues of Q′QQ^{\prime}Q are 11. Thus, we have ∥Q∥∗=r\|Q\|_{\rm*}=r and ∥Q∥op=1\|Q\|_{\rm op}=1. The proof is complete. ∎

Denote F=[f1,...,fr]F=[f_{1},...,f_{r}], G=[g1,...,gr]G=[g_{1},...,g_{r}] and cj=fj′Egjc_{j}=f_{j}^{\prime}Eg_{j}. By ∥E∥op≤1\|E\|_{\rm op}\leq 1, we have ∣cj∣≤1|c_{j}|\leq 1. The left hand side of (44) is lower bounded by ⟨FKG′,FG′−E⟩≥⟨FDG′,FG′−E⟩−∥K−D∥F∥FG′−E∥F\langle FKG^{\prime},FG^{\prime}-E\rangle\geq\langle FDG^{\prime},FG^{\prime}-E\rangle-\|K-D\|_{\rm F}\|FG^{\prime}-E\|_{\rm F}, where ⟨FDG′,FG′−E⟩=⟨D,I−F′EG⟩=∑l=1rdl(1−cl)≥dr∑l=1r(1−cl)\langle FDG^{\prime},FG^{\prime}-E\rangle=\langle D,I-F^{\prime}EG\rangle=\sum_{l=1}^{r}d_{l}(1-c_{l})\geq d_{r}\sum_{l=1}^{r}(1-c_{l}). The first term on the right hand side of (44) is

Using triangle inequality, ∣∣Σ^xy−Σ~xy∣∣∞||\widehat{\Sigma}_{xy}-\widetilde{\Sigma}_{xy}||_{\infty} 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 XijX_{ij} is the jj-th element of XiX_{i} and the notation [⋅]k[\cdot]_{k} means the kk-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 ∑l=1rλl∣∣(Σ^x−Σx)ulvl′(Σ^y−Σy)∣∣∞\sum_{l=1}^{r}\lambda_{l}||(\widehat{\Sigma}_{x}-\Sigma_{x})u_{l}v_{l}^{\prime}(\widehat{\Sigma}_{y}-\Sigma_{y})||_{\infty}, where for each ll, ∣∣(Σ^x−Σx)ulvl′(Σ^y−Σy)∣∣∞||(\widehat{\Sigma}_{x}-\Sigma_{x})u_{l}v_{l}^{\prime}(\widehat{\Sigma}_{y}-\Sigma_{y})||_{\infty} can be written as

It can be bounded by the rate log⁡(p+m)n\frac{\log(p+m)}{n} with the desired probability using union bound and Bernstein’s inequality. Hence, the last term can be bounded by λ1rlog⁡(p+m)n\frac{\lambda_{1}r\log(p+m)}{n}. Under the assumption that rlog⁡(p+m)nr\sqrt{\frac{\log(p+m)}{n}} is bounded by a constant, it can further be bounded by the rate log⁡(p+m)n\sqrt{\frac{\log(p+m)}{n}} with high probability. Combining the bounds of the four terms, the proof is complete. ∎

By the property of least squares, we have

Since ∥PF−PG∥F2=2r−2Tr(PFPG)\|P_{F}-P_{G}\|_{\rm F}^{2}=2r-2\mathop{\sf Tr}(P_{F}P_{G}), the proof is complete. ∎

By the definition of U∗U^{*}, we have ΣxyV^(0)=ΣxU∗\Sigma_{xy}\widehat{V}^{(0)}=\Sigma_{x}U^{*}. Thus,

Let us first bound max⁡1≤j≤p∣∣[(Σ^x−Σx)U∗]j⋅∣∣\max_{1\leq j\leq p}||[(\widehat{\Sigma}_{x}-\Sigma_{x})U^{*}]_{j\cdot}||. Note that the sample covariance can be written as

where {Zi}i=1n\{Z_{i}\}_{i=1}^{n} are i.i.d. Gaussian vectors distributed as N(0,Ip)N(0,I_{p}). Let Tj′T_{j}^{\prime} be the jj-th row of Σx1/2\Sigma_{x}^{1/2}, and then we have

Take t2=C4r+log⁡pnt^{2}=C_{4}\frac{r+\log p}{n} for some sufficiently large C4C_{4}, and under the assumption n−1(r+log⁡p)≤C1n^{-1}(r+\log p)\leq C_{1}, max⁡1≤j≤p∣∣[(Σ^x−Σx)U∗]j⋅∣∣≤Cr+log⁡pn\max_{1\leq j\leq p}||[(\widehat{\Sigma}_{x}-\Sigma_{x})U^{*}]_{j\cdot}||\leq C\sqrt{\frac{r+\log p}{n}} with probability at least 1−exp⁡(−C′(r+log⁡p))1-\exp(-C^{\prime}(r+\log p)). Similar arguments lead to the bound of max⁡1≤j≤p∣∣[(Σ^xy−Σxy)V^(0)]j⋅∣∣\max_{1\leq j\leq p}||[(\widehat{\Sigma}_{xy}-\Sigma_{xy})\widehat{V}^{(0)}]_{j\cdot}||. Let us sketch the proof. Note that we may write

Then, define Hi(j)=[Tj′Zi(V^(0))′Yi]H_{i}^{(j)}=\begin{bmatrix}T_{j}^{\prime}Z_{i}\\ (\widehat{V}^{(0)})^{\prime}Y_{i}\end{bmatrix}, and we have

Using the same argument, we can bound this term by Cr+log⁡pnC\sqrt{\frac{r+\log p}{n}} with probability at least 1−exp⁡(−C′(r+log⁡p))1-\exp(-C^{\prime}(r+\log p)). Thus, the proof is complete. ∎

3.2 Proofs of lemmas in Section 9

Let Tv=S^v∪SvT_{v}=\widehat{S}_{v}\cup S_{v}, where S^v=supp(V^(0))\widehat{S}_{v}={\rm supp}(\widehat{V}^{(0)}). First, let us bound ∥ΣyTvTv1/2V^Tv∗(0)∥op\|\Sigma_{yT_{v}T_{v}}^{1/2}\widehat{V}_{T_{v}*}^{(0)}\|_{\rm op}. Since (V^(0))′Σ^yV^(0)=Ir(\widehat{V}^{(0)})^{\prime}\widehat{\Sigma}_{y}\widehat{V}^{(0)}=I_{r}, we have

with probability at least 1−exp⁡(−C′sulog⁡(ep/su))1-\exp(-C^{\prime}s_{u}\log(ep/s_{u})), where the last inequality is by Lemma 12 of . Hence,

with probability at least 1−exp⁡(−C′sulog⁡(ep/su))1-\exp(-C^{\prime}s_{u}\log(ep/s_{u})). The proof is completed by realizing ∥ΣyTvTv1/2V^Tv∗(0)∥op=∥Σy1/2V^(0)∥op\|\Sigma_{yT_{v}T_{v}}^{1/2}\widehat{V}_{T_{v}*}^{(0)}\|_{\rm op}=\|\Sigma_{y}^{1/2}\widehat{V}^{(0)}\|_{\rm op}. ∎

Let Tu=S^u∪SuT_{u}=\widehat{S}_{u}\cup S_{u}, where S^u=supp(U^)\widehat{S}_{u}={\rm supp}(\widehat{U}). Using the definition of Frobenius norm, we have

with high probability, where we have used ∥ΣxTuTuΔTu∗∥F2=∥Σx1/2Δ∥F2\|\Sigma_{xT_{u}T_{u}}\Delta_{T_{u}*}\|_{\rm F}^{2}=\|\Sigma_{x}^{1/2}\Delta\|_{\rm F}^{2} and Lemma 12 in in the last inequality. After rearrangement, the proof is complete. ∎

In this proof, Σ^x\widehat{\Sigma}_{x} is constructed from D0\mathcal{D}_{0} and Σ^y\widehat{\Sigma}_{y} is constructed from D1\mathcal{D}_{1}. We use the notation Tu=Su∪S^uT_{u}=S_{u}\cup\widehat{S}_{u} and Tv=Sv∪S^vT_{v}=S_{v}\cup\widehat{S}_{v}, where S^u=supp(U^)\widehat{S}_{u}={\rm supp}(\widehat{U}) and S^v=supp(V^(0))\widehat{S}_{v}={\rm supp}(\widehat{V}^{(0)}). Note that TuT_{u} depends on D1\mathcal{D}_{1} and TvT_{v} depends on D0\mathcal{D}_{0}. We first condition on D0\mathcal{D}_{0}, and then we have

with probability at least 1−exp⁡(−C′(sulog⁡(ep/su)+rsu))1-\exp\left(-C^{\prime}(s_{u}\log(ep/s_{u})+rs_{u})\right). By Lemma 9.1, we have ∥ΣyTvTv1/2V^Tv∗(0)∥op=∥Σy1/2V^(0)∥op≤2\|\Sigma_{yT_{v}T_{v}}^{1/2}\widehat{V}_{T_{v}*}^{(0)}\|_{\rm op}=\|\Sigma_{y}^{1/2}\widehat{V}^{(0)}\|_{\rm op}\leq 2 with high probability. Finally, observing that ∥ΣxTuTu1/2ΔTu∗∥F=∥Σx1/2Δ∥F\|\Sigma_{xT_{u}T_{u}}^{1/2}\Delta_{T_{u}*}\|_{\rm F}=\|\Sigma_{x}^{1/2}\Delta\|_{\rm F}, we have completed the proof. ∎

It is omitted due to similarity to that of Lemma 9.3. ∎

Let the singular value decomposition of UU be U=ΘRH′U=\Theta RH^{\prime}. Then we have HRΘ′ΣxΘRH′=U′ΣxU=IHR\Theta^{\prime}\Sigma_{x}\Theta RH^{\prime}=U^{\prime}\Sigma_{x}U=I, from which we derive Θ′ΣxΘ=R−2\Theta^{\prime}\Sigma_{x}\Theta=R^{-2}. Using Lemma 6.6, we have

Finally, by ∥Σx1/2(U^W−U)∥F2=Tr((U^W−U)′Σx(U^W−U))\|\Sigma_{x}^{1/2}(\widehat{U}W-U)\|_{\rm F}^{2}=\mathop{\sf Tr}((\widehat{U}W-U)^{\prime}\Sigma_{x}(\widehat{U}W-U)), 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 Σ^x\widehat{\Sigma}_{x} and Σ^y\widehat{\Sigma}_{y} for Σ^x(0)\widehat{\Sigma}_{x}^{(0)} and Σ^y(0)\widehat{\Sigma}_{y}^{(0)} 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 kk-th iteration, the matrices are (Fk,Gk,Hk)(F^{k},G^{k},H^{k}), then we update the matrices in the (k+1)(k+1)-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 HH 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 UV′UV^{\prime}. 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 Σx1/2UV′Σy1/2\Sigma_{x}^{1/2}UV^{\prime}\Sigma_{y}^{1/2}. In what follows, we study in more details the updates for FF and GG.

First, we note that (104) is equivalent to

Thus, it is clear that the update of FF in (104) can be viewed as a Lasso problem as summarized in the following proposition. Here and after, for any positive semi-definite matrix AA, A−1/2A^{-1/2} 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 GG, we note that (105) is equivalent to

The solution to the last display has a closed form according to the following result.

Let G∗G^{*} be the solution to the optimization problem:

Let the SVD of WW be W=∑i=1mωiaibi′W=\sum_{i=1}^{m}\omega_{i}a_{i}b_{i}^{\prime} with ω1≥⋯≥ωm≥0\omega_{1}\geq\cdots\geq\omega_{m}\geq 0 the ordered singular values. Then G∗=∑i=1mgiaibi′G^{*}=\sum_{i=1}^{m}g_{i}a_{i}b_{i}^{\prime} where for any ii, gi=1∧(ωi−γ∗)+g_{i}=1\wedge(\omega_{i}-\gamma^{*})_{+} for some γ\gamma 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 ∑igi≤r\sum_{i}g_{i}\leq r 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 p=mp=m, Σx=Σy=Σ\Sigma_{x}=\Sigma_{y}=\Sigma, and r=2r=2 with λ1=0.9\lambda_{1}=0.9 and λ2=0.8\lambda_{2}=0.8. Moreover, the nonzero rows of both UU and VV are set at {1,6,11,16,21}\{1,6,11,16,21\}. The values at the nonzero coordinates are obtained from normalizing (with respect to Σ\Sigma) random numbers drawn from the uniform distribution on the finite set {−2,1,0,1,2}\{-2,1,0,1,2\}. The choices of Σ\Sigma in the three settings are as follows:

Toeplitz: Σ=(σij)\Sigma=(\sigma_{ij}) where σij=0.3∣i−j∣\sigma_{ij}=0.3^{|i-j|} for all i,j∈[p]i,j\in[p]. In other words, Σx\Sigma_{x} and Σy\Sigma_{y} are Toeplitz matrices.

SparseInv: Σ=(σij0/σii0σjj0)\Sigma=({\sigma^{0}_{ij}}/{\sqrt{\sigma^{0}_{ii}\sigma^{0}_{jj}}}). We set Σ0=(σij0)=Ω−1\Sigma^{0}=(\sigma^{0}_{ij})=\Omega^{-1} where Ω=(ωij)\Omega=(\omega_{ij}) with

In other words, Σx\Sigma_{x} and Σy\Sigma_{y} 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 (u^1,v^1)(\widehat{u}_{1},\widehat{v}_{1}). Then the same procedure is repeated after Σ^xy\widehat{\Sigma}_{xy} is replaced by Σ^xy−(u^1′Σ^xyv^1)u^1v^1′\widehat{\Sigma}_{xy}-(\widehat{u}_{1}^{\prime}\widehat{\Sigma}_{xy}\widehat{v}_{1})\widehat{u}_{1}\widehat{v}_{1}^{\prime}, and the solution gives the estimator of the second canonical pair (u^2,v^2)(\widehat{u}_{2},\widehat{v}_{2}). This process is repeated until u^r,v^r\widehat{u}_{r},\widehat{v}_{r} is obtained. Note that the normalization constraint ∥u∥≤1\|{u}\|\leq 1 and ∥v∥≤1\|{v}\|\leq 1 implicitly assumes that the marginal covariance matrices Σx{\Sigma}_{x} and Σy\Sigma_{y} 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 u^j\widehat{u}_{j} with respect to Σ^x\widehat{\Sigma}_{x} and each individual v^j\widehat{v}_{j} with respect to Σ^y\widehat{\Sigma}_{y} 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 {0.6l:l=0,1,…,10}\{0.6^{l}:l=0,1,\dots,10\} 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 100100 repetitions for four different configurations of (p,m,n)(p,m,n) values.

In each table, the columns UU-PMA and VV-PMA report the medians of the smallest estimation errors out of the eleven trials on each simulated dataset. The columns UU-init and VV-init report the median estimation errors of the renormalized rr 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 nn pairs of observations. Last but not least, the columns UU-CoLaR and VV-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 r=2r=2 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 {1,6,11,16,21}\{1,6,11,16,21\} 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 λ3=0.3\lambda_{3}=0.3. Table 4 reports the prediction errors of the first two pairs of canonical correlations in both scenarios when (p,m,n)=(300,300,500)(p,m,n)=(300,300,500). 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.