Sum-of-Squares Lower Bounds for Sparse PCA
Tengyu Ma, Avi Wigderson
Introduction
We start with a general discussion of the tension between sample size and computational efficiency in statistical and learning problems. We then describe the concrete model and problem at hand: Sum-of-Squares algorithms and the Sparse-PCA problem. All are broad topics studied from different viewpoints, and the given references provide more information.
Modern machine learning and statistical inference problems are often high dimensional, and it is highly desirable to solve them using far less samples than the ambient dimension. Luckily, we often know, or assume, some underlying structure of the objects sought, which allows such savings in principle. Typical such assumption is that the number of real degrees of freedom is far smaller than the dimension; examples include sparsity constraints for vectors, and low rank for matrices and tensors. The main difficulty that occurs in nearly all these problems is that while information theoretically the sought answer is present (with high probability) in a small number of samples, actually computing (or even approximating) it from these many samples is a computationally hard problem. It is often expressed as a non-convex optimization program which is NP-hard in the worst case, and seemingly hard even on random instances.
Given this state of affairs, relaxed formulations of such non-convex programs were proposed, which can be solved efficiently, but sometimes to achieve accurate results seem to require far more samples than existential bounds provide. This phenomenon has been coined the “statistical versus computational trade-off” by Chandrasekaran and Jordan [CJ13], who motivate and formalize one framework to study it in which efficient algorithms come from the Sum-of-Squares family of convex relaxations (which we shall presently discuss). They further give a detailed study of this trade-off for the basic de-noising problem [Joh02, Don95, DJ98] in various settings (some exhibiting the trade-off and others that do not). This trade-off was observed in other practical machine learning problems, in particular for the Sparse PCA problem that will be our focus, by Berthet and Rigollet [BR13a].
As it turns out, the study of the same phenomenon was proposed even earlier in computational complexity, primarily from theoretical motivations. Decatur, Goldreich and Ron [DGR97] initiate the study of “computational sample complexity” to study statistical versus computation trade-offs in sample-size. In their framework efficient algorithms are arbitrary polynomial time ones, not restricted to any particular structure like convex relaxations. They point out for example that in the distribution-free PAC-learning framework of Vapnik-Chervonenkis and Valiant, there is often no such trade-off. The reason is that the number of samples is essentially determined (up to logarithmic factors, which we will mostly ignore here) by the VC-dimension of the given concept class learned, and moreover, an “Occam algorithm” (computing any consistent hypothesis) suffices for classification from these many samples. So, in the many cases where efficiently finding a hypothesis consistent with the data is possible, enough samples to learn are enough to do so efficiently! This paper also provide examples where this is not the case in PAC learning, and then turns to an extensive study of possible trade-offs for learning various concept classes under the uniform distribution. This direction was further developed by Servedio [Ser00].
The fast growth of Big Data research, the variety of problems successfully attacked by various heuristics and the attempts to find efficient algorithms with provable guarantees is a growing area of interaction between statisticians and machine learning researchers on the one hand, and optimization and computer scientists on the other. The trade-offs between sample size and computational complexity, which seems to be present for many such problems, reflects a curious “conflict” between these fields, as in the first more data is good news, as it allows more accurate inference and prediction, whereas in the second it is bad news, as a larger input size is a source of increased complexity and inefficiency. More importantly, understanding this phenomenon can serve as a guide to the design of better algorithms from both a statistical and computational viewpoints, especially for problems in which data acquisition itself is costly, and not just computation. A basic question is thus for which problems is such trade-off inherent, and to establish the limits of what is achievable by efficient methods.
Establishing a trade-off has two parts. One has to prove an existential, information theoretic upper bound on the number of samples needed when efficiency is not an issue, and then prove a computational lower bound on the number of samples for the class of efficient algorithms at hand. Needless to say, it is desirable that the lower bounds hold for as wide a class of algorithms as possible, and that it will match the best known upper bound achieved by algorithms from this class. The most general one, the computational complexity framework of [DGR97, Ser00] allows all polynomial-time algorithms. Here one cannot hope for unconditional lower bounds, and so existing lower bounds rely on computational assumptions, e.g.”cryptographic assumptions”, e.g. that factoring integers has no polynomial time algorithm, or other average case assumptions. For example, hardness of refuting random 3CNF was used for establishing the sample-computational tradeoff for learning halfspaces [DLS13], and hardness of finding planted clique in random graphs was used for tradeoff in sparse PCA [BR13a, GMZ14]. On the other hand, in frameworks such as [CJ13], where the class of efficient algorithms is more restricted (e.g. a family of convex relaxations), one can hope to prove unconditional lower bounds, which are called “integrality gaps” in the optimization and algorithms literature. Our main result is of this nature, adding to the small number of such lower bounds for machine learning problems.
We now turn to describe and motivate SoS convex relaxations algorithms, and then the Sparse PCA problem.
2 Sum-of-Squares convex relaxations
Sum-of-Squares algorithms (sometimes called the Lasserre hierarchy) encompasses perhaps the strongest known algorithmic technique for a diverse set of optimization problems. It is a family of convex relaxations introduced independently around the year 2000 by Lasserre [Las01], Parillo [Par00], and in the (equivalent) context of proof systems by Grigoriev [Gri01b]. These papers followed better and better understanding in real algebraic geometry [Art27, Kri64, Ste74, Sho87, Sch91, Put93, Nes00]of David Hilbert’s famous 17th problem on certifying the non-negativity of a polynomial by writing it as a sum of squares (which explains the name of this method). We only briefly describe this important class of algorithms; far more can be found in the book [Las15] and the excellent extensive survey [Lau09].
The SoS method provides a principled way of adding constraints to a linear or convex program in a way that obtains tighter and tighter convex sets containing all solutions of the original problem. This family of algorithms is parametrized by their degree (sometimes called the number of rounds); as gets larger, the approximation becomes better, but the running time becomes slower, specifically . Thus in practice one hopes that small degree (ideally constant) would provide sufficiently good approximation, so that the algorithm would run in polynomial time. This method extends the standard semi-definite relaxation (SDP, sometimes called spectral), that is captured already by degree-2 SoS algorithms. Moreover, it is more powerful than two earlier families of relaxations: the Sherali-Adams [SA90] and Lovász-Scrijver [LS91] hierarchies.
The introduction of these algorithms has made a huge splash in the optimization community, and numerous applications of it to problems in diverse fields were found that greatly improve solution quality and time performance over all past methods. For large classes of problems they are considered the strongest algorithmic technique known. Relevant to us is the very recent growing set of applications of constant-degree SoS algorithms to machine learning problems, such as [BKS15, BKS14, BM15]. The survey [BS14] contains some of these exciting developments. Section 2.3 contains some self-contained material about the general framework SoS algorithms as well.
Given their power, it was natural to consider proving lower bounds on what SoS algorithms can do. There has been an impressive progress on SoS degree lower bounds (via beautiful techniques) for a variety of combinatorial optimization problems [Gri01a, Gri01b, Sch08, MPW15]. However, for machine learning problems relatively few such lower bounds (above SDP level) are known [BM15, WGL15] and follow via reductions to the above bounds. So it is interesting to enrich the set of techniques for proving such limits on the power of SoS for ML. The lower bound we prove indeed seem to follow a different route than previous such proofs.
3 Sparse PCA
Sparse principal component analysis, the version of the classical PCA problem which assumes that the direction of variance of the data has a sparse structure, is by now a central problem of high-diminsional statistical analysis. In this paper we focus on the single-spiked covariance model introduced by Johnstone [Joh01]. One observes samples from -dimensional Gaussian distribution with covariance
where (the planted vector) is assumed to be a unit-norm sparse vector with at most non-zero entries, and represents the strength of the signal. The task is to find (or estimate) the sparse vector . More general versions of the problem allow several sparse directions/components and general covariance matrix [Ma13, VL13]. Sparse PCA and its variants have a wide variety of applications ranging from signal processing to biology: see, e.g., [ABN+99, JL09, Che11, JOB10].
The hardness of Sparse PCA, at least in the worst case, can be seen through its connection to the (NP-hard) Clique problem in graphs. Note that if is a adjacency matrix of a graph (with 1’s on the diagonal), then it has a -sparse eigenvector with eigenvalue if and only if the graph has a -clique. This connection between these two problems is actually deeper, and will appear again below, for our real, average case version above.
From a theoretical point of view, Sparse PCA is one of the simplest examples where we observe a gap between the number of samples needed information theoretically and the number of samples needed for a polynomial time estimator: It has been well understood [VL12, PJ12, BR13b] that information theoretically, given samplesWe treat as a constant so that we omit the dependence on it for simplicity throughout the introduction section, one can estimate up to constant error (in euclidean norm), using a non-convex (therefore not polynomial time) optimization algorithm. On the other hand, all the existing provable polynomial time algorithms [JL09, AW09, VL13, DM14], which use either diagonal thresholding (for the single spiked model) or semidefinite programming (for general covariance), first introduced for this problem in [dGJL07], need at least quadratically many samples to solve the problem, namely . Moreover, Krauthgamer, Nadler and Vilenchik [KNV15] and Berthet and Rigollet [BR13b] have shown that for semi-definite programs (SDP) this bound is tight. Specifically, the natural SDP cannot even solve the detection problem: to distinguish the data in equation 1.1 above from the null hypothesis in which no sparse vector is planted, namely the samples are drawn from the Gaussian distribution with covariance matrix .
Recall that the natural SDP for this problem (and many others) is just the first level of the SoS hierarchy, namely degree-2. Given the importance of the Sparse PCA, it is an intriguing question whether one can solve it efficiently with far fewer samples by allowing degree- SoS algorithms with larger . A very interesting conditional negative answer was suggested by Berthet and Rigollet [BR13b]. They gave an efficient reduction from Planted CliqueAn average case version of the Clique problem in which the input is a random graph in which a much larger than expected clique is planted. problem to Sparse PCA, which shows in particular that degree- SoS algorithms for Sparse PCA will imply similar ones for Planted Clique. Gao, Ma and Zhou [GMZ14] strengthen the result by establishing the hardness of the Gaussian single-spiked covariance model, which is an interesting subsetNote that lower bounds for special cases are stronger than those for general cases of models considered by [BR13a]. These are useful as nontrivial constant-degree SoS lower bounds for Planted Clique were recently proved by [MPW15, DM15] (see there for the precise description, history and motivation for Planted Clique). As [BR13b, GMZ14] argue, strong yet believed bounds, if true, would imply that the quadratic gap is tight for any constant . Before the submission of this paper, the known lower bounds above for planted clique were not strong enough yet to yield any lower bound for Sparse PCA beyond the minimax sample complexity. We also note that the recent progress [RS15, HKP15] that show the tight lower bounds for planted clique, together with the reductions of [BR13a, GMZ14], also imply the tight lower bounds for Sparse PCA, as shown in this paper.
4 Our contribution
We give a direct, unconditional lower bound proof for computing Sparse PCA using degree-4 SoS algorithms, showing that they too require samples to solve the detection problem (Theorem 3.1), which is tight up to polylogarithmic factors when the strength of the signal is a constant. Indeed the theorem gives a lower bound for every strength , which becomes weaker as gets larger. Our proof proceeds by constructing the necessary pseudo-moments for the SoS program that achieve too high an objective value (in the jargon of optimization, we prove an “integrality gap” for these programs). As usual in such proofs, there is tension between having the pseudo-moments satisfy the constraints of the program and keeping them positive semidefinite (PSD). Differing from past lower bound proofs, we construct two different PSD moments, each approximately satisfying one sets of constraints in the program and is negligible on the rest. Thus, their sum give PSD moments which approximately satisfy all constraints. We then perturb these moments to satisfy constraints exactly, and show that with high probability over the random data, this perturbation leaves the moments PSD.
We note several features of our lower bound proof which makes the result particularly strong and general. First, it applies not only for the Gaussian distribution, but also for Bernoulli and other distributions. Indeed, we give a set of natural (pseudorandomness) conditions on the sampled data vectors under which the SoS algorithm is “fooled”, and show that these conditions are satisfied with high probability under many similar distributions (possessing strong concentration of measure). Next, our lower bound holds even if the hidden sparse vector is discrete, namely its entries come from the set . We also extend the lower bound for the detection problem to apply also to the estimation problem, in the regime when the ambient dimension is linear in the number of samples, namely for constant (see Theorem 3.2).
Organization: Section 2 provides more backgrounds of sparse PCA and SoS algorithms. Then we state our main results in Section 3. In Section 4, we design the pseudo-moments and state their properties and then in Section 5 we prove our main theorems using these moments. Section 6 and 7 contain the analysis of the moments. Section 8 lists the tools that we heavily used for proving concentration inequalities in the analysis. Finally we conclude with a discussion of further directions of study in Section 9.
Formal description of the model and problem
1 Sparse PCA estimation and detection problems
It is also interesting to also consider the sparse component detection problem [BR13b, BR13a], which is the decision problem of distinguishing from random samples the following two distributions
: data is purely random
: data contains a hidden sparse signal with strength .
Rigollet [MR14] observed that a polynomial time algorithm for estimation version of sparse PCA with constant error implies that an algorithm for the detection problem with twice number of the samples. Thus, for polynomial time lower bounds, it suffices to consider the detection problem.
We will use as a shorthand for the matrix . We denote the rows of as , therefore ’s are -dimensional column vectors. The empirical covariance matrix is defined as .
2 Statistically optimal estimator/detector
It is well known that the following non-convex program achieves optimal statistical minimax rate for the estimation problem and the optimal sample complexity for the detection problem. Note that we scale the variables up by a factor of for simplicity (the hidden vector now has entries from ).
The non-convex program (2.2) statistically optimally solves the sparse PCA problem when for some sufficiently large . Namely, the following hold with high probability. If is generated from , then optimal solution of program (2.2) satisfies , and the objective value is at least . On the other hand, if is generated from null hypothesis , then is at most .
Therefore, for the detection problem, once can simply use the test to distinguish the case of and , with samples. However, this test is highly inefficient, as the best known ways for computing take exponential time! We now turn to consider efficient ways of solving this problem.
3 Sum of Squares (Lasserre) Relaxations
Here we will only briefly introduce the basic ideas of Sum-of-Squares (Lasserre) relaxation that will be used for this paper. We refer readers to the extensive [Las15, Lau09, BS14] for detailed discussions of sum of squares algorithms and proofs and their applications to algorithm design.
For a mutli-set , we use to denote the monomial . Since is a linear operator, it can be clearly described by all the values of on the monomial of degree , that is, all the values of for mutli-set of size at most uniquely determines . Moreover, the nonnegativity constraint is equivalent to the positive semidefiniteness of the matrix-form (as defined below), and therefore the set of all pseudo-moments is convex.
For an even integer and any degree- pseudo-moments , we define the matrix-form of as the trivial way of viewing all the values of on monomials as a matrix: we use to denote the matrix that is indexed by multi-subset of with size at most , and .
Given polynomials and of degree at most , and a polynomial program,
Note that (2.6) is a valid relaxation because for any solution of (2.5), if we define to be , then satisfies all the constraints and the objective value is . Therefore it is guaranteed that the optimal value of (2.6) is always larger than that of (2.5).
Finally, the key point is that this program can be solved efficiently, in polynomial time in its size, namely in time . As grows, the constraints added make the “pseudo-distribution” defined by the moments closer and closer to an actual distribution, thus providing a tighter relaxation, at the cost of a larger running time to solve it.
In the next section we apply this relaxation to the Sparse PCA problem and state our results.
Main Results
To exploit the sum of squares relaxation framework as described in Section 2.3], we first convert the statistically optimal estimator/detector (2.2) into the “polynomial” program version below.
Now we are ready to apply the sum-of-squares relaxation scheme described in Section 2.3) to the polynomial program above as . For degree-4 relaxation we obtain the following semidefinite program , which we view as an algorithm for both detection and estimation problems. Note that the same objective function, with only the three constraints (C1), (C2), (C6) gives the degree-2 relaxation, which is precisely the standard SDP relaxation of Sparse PCA studied in [AW09, BR13b, KNV15]. So clearly subsumes the SDP relaxation.
Before stating the lower bounds for both detection and estimation in the next two subsections, we comment on the choices made for the outputs of the algorithm in both, as clearly other choices can be made that would be interesting to investigate. For detection, we pick the natural threshold from the statistically optimal detection algorithm of Section 2.2. Our lower bound of the objective under is actually a large constant multiple of , so we could have taken a higher threshold. To analyze even higher ones would require analyzing the behavior of under the (planted) alternative distribution . For estimation we output the maximizer of the objective function, and prove that it is not too correlated with the rank-1 matrix in the planted distribution . This suggest, but does not prove, that the leading eigenvector of (which is a natural estimator for ) is not too correlated with . We finally note that Rigollet’s efficient reduction from detection to estimation is not in the SoS framework, and so our detection lower bound does not automatically imply the one for estimation.
For the detection problem, we prove that gives a large objective value on null hypothesis .
There exists absolute constant and such that for and any , , the following holds. When the data is drawn from the null hypothesis , then with high probability (), the objective value of degree-4 sum of squares relaxation is at least . Consequently, Algorithm 1 can’t solve the detection problem.
To parse the theorem and to understand its consequence, consider first the case when is a constant (which is also arguably the most interesting regime). Then the theorem says that when we have only samples, degree-4 SoS relaxation still overfits heavily to the randomness of the data under the null hypothesis . Therefore, using (or even ) as a threshold will fail with high probability to distinguish and .
We note that for constant our result is essentially tight in terms of the dependencies between . The condition is necessary since otherwise when , even without the sum of squares relaxation, the objective value is controlled by since has maximum eigenvalue in this regime. Furthermore, as mentioned in the introduction, is also necessary (up to poly-logarithmic factors), since when , a simple diagonal thresholding algorithm works for this simple single-spike model.
When is not considered as a constant, the dependence of the lower bound on is not optimal, but close. Ideally one could expect that as long as , and , the objective value on the null hypothesis is at least . Tightening the slack, and possibly extending the range of are left to future study.
2 Lower bounds for the estimation problem
For estimation problem, we prove that output by Algorithm 1 is not too correlated with the desired rank-1 matrix .
For any constant there exists absolute constants and such that for , and , suppose the data is drawn hypothesis (model (2.1)), then with high probability ) over the randomness of the data, Algorithm 1 will output such that .
We observe that the result is of the same nature (and arguably near-optimal for estimation problem) as [KNV15] achieve the for degree-2 SoS relaxation. The proof follows simply from combining our detection lower bound Theorem 3.1 and arguments similar to [KNV15]. Finally we address a threshold-like behavior of the estimation error. Note that while our Theorem proves that samples is necessary for efficient algorithms to get even constant estimation error, it is known [YZ13, Ma13, WLL14] that slightly more samples, , can already achieve in polynomial time a much smaller (and optimal) estimation error, namely .
Design of Pseudo-moments
We start with a sketch of our approach to the design of the moments at a very high level, highlighting aspects of their design which are different than in previous lower bounds. First, there are some natural choices to make. We define the degree-2 moments from the input as the empirical covariance matrix, as was done in the proof of the SDP lower bound. This already gives a large objective value (see Lemma 4.2). We also define taking odd moments (degree 1 and 3) to be 0. The difficult part is designing the degree-4 moments consistently with the constraints and . We do this in stages, first approximating the constraints (indeed even only approximately satisfies, in a way we will specify in Section 4.1, constraints (C1) and (C2)) and later in Section 4.2 correcting the moments to satisfy the constraints precisely. Moreover, we separately use different 4-moments for different constraints and then combine them, as follows. We define two different degree-4 PSD moments and such that (with high probability) almost satisfies constraints (C3), (C5) and (C6), and negligible for constraint (C4) (see Lemma 4.4), whereas almost satisfies constraints (C5), (C4) and (C6), and negligible for (C3) (Lemma 4.5). Therefore taking the sum will almost satisfy all the constraints (Lemma 4.6), which completes the design of the approximate moments. Finally we “locally” adjust so that the resulting moments exactly satisfy all the constraints (Theorem 4.7), and remain PSD with high probability.
All moments will be defined from the data matrix , to which we first apply a simple pre-processing step: we scale all its rows to have square norm (around which they are concentrated). We abuse notation and call the scaled matrix as well. Note that when the noise model in the null hypothesis is Bernoulli, namely the entries of are chosen as unbiased independent variables, the rows are automatically scaled, which motivates our abuse of notation. We suggest that the reader thinks of this distribution, even though the proof works for a much wider class of distributions.
The properties above of our moments will be proved under the assumption that the scaled matrix satisfies the “pseudo-randomness” condition below. This set-up allows us to encapsulate what we really need the data to satisfy, and thus prove our lower bound not only for Gaussian or Bernoulli noise, but actually for a larger family containing both. Namely, we later prove in Section 7, via a series of concentration inequalities, that when data is drawn from null hypothesis , its scaling satisfies the pseudorandomness condition with very high probability under all these noise models. Note that this condition is actually a sequence of statements about deviation from the mean of various polynomials in the data - these will become natural once we define our moments.
Our constructions of the moments will only require the following pseudorandom conditions about the (scaled) data matrix ,
In this section, we design a pseudo-moments that approximately satisfies the all the constraints. Then in the next subsection we will locally adjust it to obtain one that exactly satisfies all of the constraints.
where is a constant that to be tuned later according to the signal strength . Note that by design is a PSD matrix. We can check straightforwardly that satisfies constraint (C2) and gives a large objective value (Obj).
There exists constant such that for and , suppose satisfies Condition 4.1, then is a valid degree-2 pseudo-moments and satisfies the sparsity constraint (C2).
Moreover, we also have , and .
The proof follows simple calculation and concentration inequality. Since for all and with high probability over the randomness of , for all , , we obtain that , and . Then to verify equation (4.2), we have
when . Finally, we can verify the objective value is large
where we use the fact that (see property (P7) in Condition 4.1). ∎
Note that doesn’t satisfies constraint (C1) exactly. However, we could simply fix this by defining for all and . However, note that we will use a perturbation of in our final design in Section 4.2 so that it is consistent with the degree-4 moments.
There exists absolute constant such that for and , there exists a degree-2 pseudo-moments that satisfies constraints (C1), (C2) and give objective value at least .
Now we define a degree-4 pseudo-moment that approximately satisfies all the constraints in and give a large objective value. We keep the current (approximate) design for degree-2 moments, since the degree-2 moments defined in previous section seems to be nearly optimal and enjoys many good properties. Then we define for any multi-set of size 3, because apparently degree-3 moments don’t play any role the semidefinite relaxation.
The main difficulty is to define for of size 4. Here we have three constraints (C3), (C4), and (C5), and the PSDness constraint that implicitly compete with each other. We took the following approach. We let be a sum of two matrices matrix and . We ensure that “almost” (as will be specified later) satisfies (C3) and (C5), and is negligible for constraints C4. In turn is negligible for constraints (C3) and “almost” satisfies constraint (C4) and (C5). Therefore will “almost” satisfies constraints (C3)) and (C4)), and satisfy the sparsity constraint (C5). Moreover, and will be PSD by definition. Concretely, we define
We note that and are well defined pseudo-moments because they are invariant to the permutation of indices and naturally PSD. To see the PSDness, note that is a sum of rank-1 PSD matrices. Moreover, is also PSD: the part that correpsonds to is simply a rank-1 PSD matrix; can be written as and therefore it also contributes a PSD matrix to . Similarly, can be written as , and it also contributes a PSD matrix.
In the next two lemmas (one for and one for ), we formalize the intuition above by showing that, the deviation from and exactly satisfying the constraints is captured by error matrices . We bound the magnitude of these error matrices and establish the PSDness of some of them so that later we can fix them for the exact satisfaction of the constraints.
There exists some absolute constant and such that for , , , and , suppose satisfies pseudorandomness condition 4.1, then almost satisfies constraint (C3)and (C5), naturally satisfies PSD constraint (C6), and is negligible for constraint (C4) in the sense that
where and are matrices that satisfy
, for any and .
is PSD with , and for any .
There exists some absolute constant and such that for , and , suppose satisfies pseudorandomness condition 4.1, then is negligible for constraint (C3)) and almost satisfies constraint (C4) and (C5) in the sense that,
where is a PSD matrix and for any .
Now we are ready to prove that almost satisfies all other constraints (C1)- (C6) approximately.
Define for all , then we have under the condition of Lemma 4.4,
where and are matrices that satisfy
and for all .
is a PSD matrix with and for .
Note that by definition of and Lemma 4.4 and Lemma 4.5, we have and . The bound for follows the bound for and the facts that and . The PSDness of and the bounds for it follows straightforwardly from those of and . Equation (4.11) follows equation (4.4) and equation (4.8). ∎
2 Exact Pseudo-moments
Note that only satisfies the constraints approximately up to some additive errors (which are carefully bounded for the purpose of the next theorem). We fix this issue by defining the actual pseudo-moments based (on a carefully chosen) local adjustment of . Concretely, we define and for all add degree monomial , . For distinct , we define and . For distinct , we define
and where a constant (will be proved to be nonnegative) such that
Therefore we can see by construction, it is almost obvious that satisfies all the linear constraints (C1), (C3), (C4) exactly. Moreover, since and are small error matrices, most of the entries are equal or close to . Note that satisfies the rest of constraints (C2), (C5) and (C6) (even with some slackness). We will prove that the difference between and is small enough so that these constraints are still satisfied by .
Under the condition of Lemma 4.4, suppose satisfies pseudorandomness condition 4.1, then the pseudo-moments defined above satisfies all the constraint (C1)-(C6) of the semidefinite programming and has objective value larger than .
We prove that satisfies all the constraints in an order that is most convenient for the proof, and check the objective value at the end.
Constraint (C3): This is satisfied by the definition of .
Constraint (C4): By the definition, we can see that is also a perturbation of :
where the second equality uses definition (4.12) and the third uses equation (4.9), and the fourth uses (4.10) and the last equality uses the definition (4.12) again.
Moreover, for the case when , we have that
where we used the definition (4.14) of and . Therefore we verified that satisfies constraint (C4).
Constraint (C1): Using equation (4.13) and (4.14), we have
Next we check the PSDness of matrix . Note that is indexed by all the mutli subset of of size at most 2, and it consists of 3 blocks , where
Therefore it suffices to check that , and are all PSD. is trivially PSD. We can write in the following form
where . By equation (4.12), we have that for , for all . Moreover, by definition of and , we have that
where second line uses equation (4.10) and the third line uses (4.9), and therefore . We extract the PSD matrix form and obtain . Then by this definition, , and . We use Gershgorin Circle Theorem to establish the PSDness of . By Lemma 4.6, we have Therefore
where we used the fact that which follows form and .
Using equation (4.16) and constrain (C1) we have that
It follows that . Therefore we obtain that . Therefore we obtain and by Gershgorin Circle Theorem is PSD.
Now we examine . we write as
where . One can observe that has only non-zero entries of the form
where the last equality uses equation (4.15).
Now we are ready to prove PSDness of . We further decompose as where is the matrix with is index by , . Note that is a PSD matrix and therefore it suffices to prove that is a PSD matrix.
Note that has -th column the same as -th column, and therefore it’s only of rank at most . We define be the by submatrix of ,that is indexed by subsets for and for . Therefore it suffices to prove that is PSD. We prove it using Gershgorin Circle Theorem.
Note that by equation (4.19), we have that . Therefore by the lower bound for and Lemma 4.6, we obtain, . Moreover, and therefore Furthermore, for , . Finally observe that by definition and all other entries of are trivially 0 because the corresponding entries of and vanish. Therefore we are ready to use a variant of Gershogorin Circle Theorem (Lemma 8.8) to prove the PSDness of . Taking , we have for any ,
where we used the fact that and is a constant.
where we used and . Therefore by Lemma 8.8, we obtain that is PSD.
Constraint (C2): Using Lemma 4.2 and equation (4.12), we have that
Constraint (C5): Finally, we check that satisfies the sparsity constraint (C5).
where we used (4.11) and the (trivial) facts that for any and there are only at most nonzero entries in .
Objective value (Obj): Note that by constraint (C1) and Lemma 4.2, we have that , then
where in the second inequality we used Lemma 4.2 and the facts that and , and the last line uses the fact taht .
Proof of Theorem 3.1 and Theorem 3.2
Now we are ready to prove our main Theorem 3.1. The idea is very simple: we normalize the data matrix so that the resulting matrix satisfies the the pseudorandomness condition 4.1. Then we apply Theorem 4.7 and obtain a moment matrix which give large objective value with respect to . Then we argue that the difference between from is negligible so that the same moment matrix has also large objective value with respect to .
Using the observation above, we take with , and we define to matrix obtained by normalizing rows of to euclidean norm . Then by Theorem 7.1 it satisfies the pseudorandomenss condition 4.1. Let be the covariance matrix defined by . By Theorem 4.7 we have that . Moreover, let be the moment defined in Theorem 4.7, and its restriction to degree-2 moments, that is, . We are going to show that the entry-wise difference between and are small enough so that is close to .
Note that since , therefore for any , . For , we have similarly that . We bound the difference between and by the sum of the entry-wise differences:
Therefore . Therefore the moment gives objective value for data , and therefore . ∎
Then we prove that Theorem 3.1 together with the arguments in [KNV15] implies Theorem 3.2. The intuition behind is the following: Suppose is very close to , then it is close to rank-1 and its leading eigenvector is close to . However, since we prove that the objective value is large (which is true also in the planted vector case), needs to be highly correlated with , which implies its leading eigenvector needs to be correlated with , which in turns implies that is correlated with . However, it turns out that is not correlated enough with , which leads to a contradiction.
We first prove that the optimal value of for hypothesis is also at least . Suppose has support of size . We consider the restriction of linear operator to the subset , denoted by . That is, we have that for any monomial that contains a factor with , and otherwise . We also consider the data matrix obtained by restricting to the rows indexed by . Note that since doesn’t contain the signal, and , using Theorem 4.7 with , we have that there exists pseudo-moment which gives objective value with respective to covariance matrix . Note that by Proposition 5.1, and therefore we obtain that under hypothesis , with high probability, .
Now suppose is the maximizer of , and . For the sake of contradiction, we assume that . We first show that this implies that has an eigenvector that is close to and its eigenvalue is large. Indeed we have . Therefore the top eigenvector of has eigenvalue larger than . Then we can decompose the difference between and into . Note that since is a PSD matrix with eigenvalue at most , we have by triangle inequality. Then by triangle inequality and our assumption again we obtain that
Therefore we obtain that and therefore . It follow that .
Next we are going to show that it is impossible for to have an eigenvector that is close to with a large eigenvalue and therefore we will get a contradiction. Let where is orthogonal to and and , and . Then using triangle inequality we have that . Proposition 5.3 of [KNV15] implies that for sufficiently large and , when , . Therefore under our assumption we have that . It follows that . Therefore, we have that
where in the third line we used the fact that , and the last line we used .Note that this is a contradiction since we assumed that for sufficiently large .
Analysis of matrices P𝑃P and Q𝑄Q
In this section we prove Lemma 4.4 and 4.5. They basically follow direct calculation and the pseudorandomness properties of data matrix listed in Condition 4.1.
Note that since and , we have that . We verify equations (4.3), (4.4) and (4.5) and the bounds for and one by one.
For the case when , we verify using property (P1) and (P2),
where in the second equality we use equation (P3), and .
Note that for distinct , by equation (P4), we have
Therefore taking the sum over all distinct we have
where we used , which implies that .
By equation (4.2) and equation (4.3), we have that
where we used the fact that and .
Therefore, combining equation (6.1), (6.2), (6.3), we obtain that
Finally it remains to bound . Note that is a sum of submatrices of and therefore it is PSD. Moreover,
where the last inequality uses equation (P2). Finally we bound using equation (P6)
Again we verify equation (4.6), (4.7) and (4.8) in order.
Equation (4.6): By definition we have that for any ,
Equation (4.8): For the sparsity constraint, we note first that for distinct , using property (P2), we have
where we used the fact that . We bound other terms as follows:
There are only at most different choices of such that are not distinct, therefore we have
where we used the fact that and .
Combining equation (6.4) and (6.5), we obtain that
Therefore forms a PSD matrix. Moreover, when , using equation (P5), we have that
Pseudo-randomness of X𝑋X
In this section, we prove that basically as long as the noise model is subgaussian and has variance 1(which generalizes the standard Bernoulli and Gaussian distributions), after normalizing the rows of the data matrix , it satisfies the pseudorandomness condition 4.1.
The proof of the Theorem relies on the following Proposition and Theorem 7.4. The proposition says that still satisfies good properties like symmetry and that each entries has a subgaussian tail, even though its entries are no longer independent due to normalization. These properties will be encapsulated in the definition of a good random variable following the proposition. Then we prove in Theorem 7.4 that these properties suffice for establishing the pseudorandomness Condition 4.1 with high probability. We will heavily use the -Orlicz norm (denoted ) of a random variable, defined in Definition 8.1, and its properties, summarized in the next (toolbox) section. Intuitively, norm is a succinct and convenient way to capture the “subgaussianity” of a random variable.
For simplicity, we call a random variable good if it satisfies the five properties listed in the proposition above. Goodness will be invoked in most statements below.
We will show a random matrix with good rows satisfies the pseudo-randomness Condition 4.1 with high probability.
Suppose independent -dimensional random vectors with are all good, then satisfies the pseudorandomness condition 4.1 with high probability.
The general approach to prove the theorem is just to use the concentration of measure. The only caveat here is that in most of cases, the random variables that we are dealing with are not bounded a.s. so we can’t use Chernoff bound or Bernstein inequality directly. However, though these random variables are not bounded a.s., they typically have a light tail, that is, their norms can be bounded. Then we are going to apply Theorem 8.4 of Ledoux and Talagrand’s, a extended version of Bernstein inequality with only norm boundedness required. We will also use other known technical results listed in the toolbox Section 8.
Equation (P1) and (P2) follows the assumptions on ’s and union bound. Equation (P3) is proved in Lemma 7.5 by taking and and view the rest of ;s as ’s in the statement of Lemma 7.5. Equation (P4) is proved in Lemma 7.6, (P5) in Lemma 7.8, (P6) in Lemma 7.10, and equation P7 is proved in Lemma 7.15. ∎
For any good random variable , we have that for fixed with , , , and ,
and moreover, for and a sequence of good independent random variables , we have that with high probability,
Therefore by our assumption on and we obtain that
Suppose and are good independent random variables, then with high probability, for any distinct ,
For any good random variable , and for fixed such that , and all the pair-wise inner products between have magnitude at most , we have that
and moreover, for and a sequence independent random variable such that each satisfies the conclusion of proposition 7.2, we have that with high probability,
where we use to denote the sum of and all its permutations with repect to .
Since has norm and similar for the other three terms, we have that by Lemma 8.5 that . Therefore using Theorem 8.4 we have that
Suppose and are good independent random variables, then with high probability, for any distinct ,
With high probability over the randomness of ,
where the last inequality is by Lemma 7.9. Taking union bound we complete the proof. ∎
For and a sequence of good independent random variable , and any two fixed vectors with and , and , we have that with high probability,
Suppose and are good independent random variables, then with high probability, for any distinct ,
Since and , we have that
Hence combining the three equations above, taking union bound over all choices of , we obtain the desired result. ∎
For and a sequence of good independent random variables , and any two fixed vectors with and , and , we have that with high probability,
We first extract the consider those cases with separately by expanding
where the the last line uses Lemma 7.9. Let are independent random variables that have the same distribution as , respectively, then by Theorem 8.7, we can decouple the sum of functions of into a sum that of functions of and ,
Now we can invoke Lemma 7.12 which deals with RHS of the equation above, and obtain that with high probability
Then combine with equation (7.1) we obtain the desired result. ∎
For and a sequence of good independent random variables , let be independent random variables which have the same distribution as , respectively, then for any two fixed vectors with and , and , with high probability,
Let . Therefore by Lemma 7.13, we have that with high probability over the randomness of , , . Moreover, by Lemma 7.9, we have that with high probability, . Note that these bounds only depend on the randomness of , and conditioning on all these bounds are true, we can still use the randomness of ’s for concentration. We invoke Lemma 7.14 and obtain that
For and a sequence of good independent random variables , we have that with high probability,
Finally we observe that . Thus applying matrix Bernstein inequality we obtain that with high probability,
Let , where is a random variable that satisfies the conclusion of Proposition 7.2. We first calculate the expectation of ,
Observe that a.s. (with respect to the randomness of ), and , therefore we have that . Using Theorem 8.4, we obtain that with high probability,
Suppose and are good independent random variables, then with high probability,
Toolbox
This section contains a collection of known technical results which are useful in proving the concentration bounds of Section 7. We note that when the data matrix takes uniformly entries, then satisfies Proposition 7.2 without any normalization and actually due to the independence of the entries, it’s much easier to prove that it satisfies Condition 4.1.
For , let . For , let for large enough , and is linear in . The Orlicz norm of a random variable is defined as
Note that by definition is convex and increasing. The following Theorem of Ledoux and Talagrand’s is our main tool for proving concentration inequalities in Section 7.
There exists a constant depending on such that for a sequence of independent mean zero random variables in , if ,
The following convenient Lemma allows us to control the second part of RHS of (8.2) easily.
There exists absolute constant , such that for any real valued random variables , we have that
Using Lemma 8.3 and Theorem 8.2, we obtain straightforwardly the following theorem that will be used many times for proving concentration bounds in this paper.
For any , there exists a constant such that for a sequence of independent random variables ,
which implies that with high probability over the randomness of ’s,
The following two lemmas are used to bound the Orlicz norms of random variables.
There exists constant depending on such that, if two (possibly correlated) random variables , have Orlicz norm bounded by and then
Moreover, note that by definition of , there exists constant and such that for , . Therefore we have that there exists a constant such that . Also note that for any constant , there exsits constant such that . Therefore, choosing such that for all we obtain that
The following Theorem of [PMS95] is useful to decouple the randomness of a sum of correlated random variables into a form that is easier to control.
Let , are independent random variables on a measurable space over , where and has the same distribution for . Let be a family of functions taking to a Banach space . Then there exists absolute constant , such that for all , ,
The following lemma provides a simple way to prove the PSDness of a matrix that has large value on the diagonal and small off-diagonal values.
Suppose a matrix is of the form where are square diagonal matrices, and is of dimension . Then is PSD if there exists such that the following holds: and .
Let vector and , where is -dimensional all 1’s vector. Then can be written as , where denotes the entries-wise product of two matrices (That is, is a matrix with entry ). Using the Gershgorin Circle Theorem and the conditions of the Lemma we obtain that is PSD and therefore is PSD. ∎
Conclusions and future directions
In this paper we prove a lower bounds on the number of samples required to solve the Sparse PCA problem by degree-4 SoS algorithms. This extends the (spectral) degree-2 SoS lower bound for the problem, establishing the quadratic gap from the number of samples required by the (inefficient) information theoretic bound. It remains an interesting problem to extend our lower bounds to higher degree SoS algorithms (or even better, show that with some constant degree, one can solve the problem with fewer samples). One specific difficulty we encountered in trying to extend the lower bound to higher degree was the polynomial constraint , capturing the discreteness of the hidden sparse vector. The SoS formulation of the problem without this condition is interesting as well, and lower bound for it may be easier.
As mentioned, it is possible that the best way to prove strong SoS lower bounds for Sparse PCA is via the reduction of Berthet and Rigollet’s [BR13a], namely by improving existing lower bounds for the Planted Clique problem. However, we note that this approach is limited as well, as it seems that sparse PCA is significantly harder. Specifically, Planted Clique has a simple -degree SoS algorithm (and thus a quasi-polynomial time) optimal solution, whereas for Sparse PCA we know of no better sample-optimal algorithm than one running in exponential time. It is thus conceivable that one can even prove -degree SoS lower bounds for this problem.
More generally, we believe that statistical and machine learning problems provide a new and challenging setting for testing the power and limits and SoS algorithms. While we have fairly strong techniques for proving optimal SoS lower bounds for combinatorial optimization problems, we lack similar ones for ML problems. In particular, many other problems besides Sparse PCA seem to exhibit the apparent trade-off between the number of samples required information theoretically versus via computationally efficient techniques, offering fertile ground for attempting SoS lower bounds establishing such trade-offs.
Finally it would be nice to see more reductions between problems of statistical and ML nature, as the one by [BR13a]. Efficient reductions have proved extremely powerful in computational complexity theory and optimization, enabling the framework of complexity classes and complete problems. Creating such a framework within machine learning will hopefully expose structure on the relative difficulty of problems in this vast area, highlighting some problems as more central to attack, and enabling both new algorithms and new lower bounds.
We would like to thank Sanjeev Arora, Boaz Barak, Philippe Rigollet and David Steurer for helpful discussions throughout various stages of this work.