Hypothesis Testing in High-Dimensional Regression under the Gaussian Random Design Model: Asymptotic Theory
Adel Javanmard, Andrea Montanari
Introduction
In matrix form, letting and denoting by the matrix with rows ,, we have
We are interested in high-dimensional settings where the number of parameters exceeds the sample size, i.e., , but the number of non-zero entries of (to be denoted by ) is smaller than . In this situation, a recurring problem is to select the non-zero entries of that hence can provide a succinct explanation of the data. The vast literature on this topic is briefly overviewed in Section 1.1.
The Gaussian design assumption arises naturally in some important applications. Consider for instance the problem of learning a high-dimensional Gaussian graphical model from data. In this case we are given i.i.d. samples , with a sparse positive definite matrix whose non-zero entries encode the underlying graph structure. As first shown by Meinshausen and Bühlmann , the -th row of can be estimated by performing linear regression of the -th entry of the samples onto the other entries . This reduces the problem to a high-dimensional regression model under Gaussian designs. Standard Gaussian designs were also shown to provide useful insights for compressed sensing applications .
In statistics and signal processing applications, it is unrealistic to assume that the set of nonzero entries of can be determined with absolute certainty. The present paper focuses on the problem of quantifying the uncertainty associated to the entries of . More specifically, we are interested in testing null-hypotheses of the form:
for and assigning p-values for these tests. Rejecting is equivalent to stating that .
Any hypothesis testing procedure faces two types of errors: false positives or type I errors (incorrectly rejecting , while ), and false negatives or type II errors (failing to reject , while ). The probabilities of these two types of errors will be denoted, respectively, by and (see Section 2.1 for a more precise definition). The quantity is also referred to as the power of the test, and as its significance level. It is trivial to achieve arbitrarily small if we allow for (never reject ) or arbitrarily small if we allow for (always reject ). This paper aims at optimizing the trade-off between power and significance .
Without further assumptions on the problem structure, the trade-off is trivial and no non-trivial lower bound on can be established. Indeed we can take arbitrarily close to , thus making in practice indistinguishable from its complement. We will therefore assume that, whenever , we have as well. The smallest value of such that the power and significance reach some fixed non-trivial value (e.g., and ) has a particularly compelling interpretation, and provides an answer to the following question: What is the minimum magnitude of to be able to distinguish it from the noise level, with a given degree of confidence?
In the case of orthogonal designs we have and . By an orthogonal transformation, we can limit ourselves to , i.e., . Hence testing hypothesis reduces to testing for the mean of a univariate Gaussian.
It is easy to see that we can distinguish the -th entry from noise only if its size is at least of order . More precisely, for any , , we can achieve significance and power if and only if for some constant [7, Section 3.9].
To move away from the orthogonal case, consider standard Gaussian designs. Several papers studied the estimation problem in this setting . The conclusion is that there exist computationally efficient estimators that are consistent (in high-dimensional sense) for , with a numerical constant. By far the most popular such estimator is the Lasso or Basis Pursuit Denoiser .
On the other hand, no practical estimator is known that is consistent under a significantly smaller sample size (impossibility results have been proven in this direction, see e.g. ). We expect hypothesis testing to require at least as large sample size as point estimation, i.e. for some .
These simple remarks motivate the following seemingly simple question:
Assume standard Gaussian design , and fix . Are there constants , and a hypothesis testing procedure achieving the desired significance and power for all , ?
Despite the seemingly idealized setting, the answer to this question is highly non-trivial. To document this point, we consider in Appendix C two hypothesis testing methods that were recently proposed by Zhang and Zhang , and by Bühlmann . These approaches apply to a broader class of design matrices that satisfy the restricted eigenvalue property . We show that, when specialized to the case of standard Gaussian designs , these methods require to reject hypothesis with a given degree of confidence (with being a constant independent of the problem dimensions). In other words, these methods are guaranteed to succeed only if the coefficient to be tested is larger than the ideal scale , by a diverging factor of order . In particular, the results of do not allow to answer the above question.
In this paper, we answer positively to this question. As in , our approach is based on the Lasso estimator
We use the solution to this problem to construct a debiased estimator of the form
A similar approach was developed independently in and (after a a preprint version of the present paper became available online) in . Apart from differences in the construction of , the three papers differ crucially in the assumptions and the regime analyzed, and establish results that are not directly comparable. In the present paper we assume a specific (random) model for the design matrix . In contrast and assume deterministic designs, or random designs with general unknown covariance.
On the other hand, we are able to analyze a regime that is significantly beyond reach of the mathematical techniques of , even for the very special case of standard Gaussian designs. Namely, for standard designs, we consider of order , and of order .
This regime is both challenging and interesting because (when non-vanishing) is of the same order as the noise level. Indeed our analysis requires an exact asymptotic distributional characterization of the problem (4).
The contributions of this paper are organized as follows:
We state the problem formally, by taking a minimax point of view. Based on this formulation, we prove a general upper bound on the minimax power of tests with a given significance level . We then specialize this bound to the case of standard Gaussian design matrices, showing formally that no test can achieve non-trivial significance , and power , unless , with a dimension-independent constant.
We define a hypothesis testing procedure that is well-suited for the case of standard Gaussian designs, . We prove that this test achieves a ‘nearly-optimal’ power-significance trade-off in a properly defined asymptotic sense. Here ‘nearly optimal’ means that the trade-off has the same form as the previous upper bound, except that is replaced by with a universal constant. In particular, we provide a positive answer to the open question discussed above.
Our analysis builds on an exact asymptotic characterization of the Lasso estimator, first developed in .
We introduce a generalization of the previous hypothesis testing method to Gaussian designs with general covariance matrix . In this case we cannot establish validity in the regime , since a rigorous generalization of the distributional result of is not available.
However: We prove that such a generalized distributional limit holds under the stronger assumption that is much larger than (see Theorem 4.5). We show that this distributional limit can be derived from the powerful replica heuristics in statistical physics for the regime . (See Section 4 for further discussion of the validity of this heuristics.)
Conditional on this standard distributional limit holding, we prove that the proposed procedure is nearly optimal in this case as well.
We validate our approach on both synthetic and real data in Sections 3.4, 4.6 and Section 6, comparing it with the methods of . Simulations suggest that the latter are indeed overly conservative in the present setting, resulting in suboptimal statistical power. (As emphasized above, the methods of apply to a broader class of design matrices .)
Let us stress that the present treatment has two important limitations. First, it is asymptotic: it would be important to develop non-asymptotic bounds. Second, for the case of general designs, it requires to know or estimate the design covariance . In Section 4.5 we discuss a simple approach to this problem for sparse . A full study of this issue is however beyond the scope of the present paper.
After a a preprint version of the present paper became available online, several papers appeared that partially address these limitations. In particular make use of debiased estimators of the form (5), and have much weaker assumptions on the design . Note however that these papers require a significantly larger sample size, namely . Hence, even limiting ourselves to standard designs, the results presented here are not comparable to the ones of , and instead complement them. We refer to Section 5 for further discussion of the relation.
In contrast we work within the Gaussian random design model, and focus on the asymptotics with and . The study of this type of high-dimensional asymptotics was pioneered by Donoho and Tanner , who assumed standard Gaussian designs and focused on exact recovery in absence of noise. The estimation error in presence of noise was characterized in . Further work in the same or related setting includes .
Wainwright also considered the Gaussian design model and established upper and lower thresholds , for correct recovery of in noise , under an additional condition on . The thresholds , are of order for many covariance structures , provided for some constant . Correct support recovery depends, in a crucial way, on the irrepresentability condition of .
Let us stress that the results on support recovery offer limited insight into optimal hypothesis testing procedures. Under the conditions that guarantee exact support recovery, both type I and type II error rates tend to rapidly as , thus making it difficult to study the trade-off between statistical significance and power. Here we are interested in triples for which and stay bounded. As discussed in the previous section, the regime of interest (for standard Gaussian designs) is . At the lower end the number of observations is so small that essentially nothing can be inferred about using optimally tuned Lasso estimator, and therefore a nontrivial power cannot be achieved. At the upper end, the number of samples is sufficient enough to recover with high probability, leading to arbitrary small errors
Let us finally mention that resampling methods provide an alternative path to assess statistical significance. A general framework to implement this idea is provided by the stability selection method of . However, specializing the approach and analysis of to the present context does not provide guarantees superior to , that are more directly comparable to the present work.
2 Notations
Throughout, is the Gaussian density and is the Gaussian distribution. For two functions and , with , the notation means that is bounded below by asymptotically, namely, there exists constant and integer , such that for . Further, means that is bounded above by asymptotically, namely, for some constants and integer , for all . Finally if both and .
Minimax formulation
In this section we define the hypothesis testing problem, and introduce a minimax criterion for evaluating hypothesis testing procedures. In subsection 2.2 we state our upper bound on the minimax power and, in subsection 2.3, we outline the prof argument, that is based on a reduction to binary hypothesis testing.
We consider the minimax criterion to measure the quality of a testing procedure. In order to define it formally, we first need to establish some notations.
A testing procedure for the family of hypotheses , cf. Eq. (3), is given by a family of measurable functions
As mentioned above, we will measure the quality of a test in terms of its significance level (probability of type I errors) and power ( is the probability of type II errors). A type I error (false rejection of the null) leads one to conclude that a relationship between the response vector and a column of the design matrix exists when in reality it does not. On the other hand, a type II error (the failure to reject a false null hypothesis) leads one to miss an existing relationship.
Adopting a minimax point of view, we require that these metrics are achieved uniformly over -sparse vectors. Formally, for , we let
The minimax power for testing hypothesis against the alternative is given by the function where, for
The following are straightforward yet useful properties.
The optimal power is non-decreasing. Further, by using a test such that with probability independently of , , we conclude that .
To prove the first property, notice that, for any we have . Indeed is obtained by taking the supremum in Eq. (9) over a family of tests that includes those over which the supremum is taken for .
2 Upper bound on the minimax power
It is easy to check that, for any , is continuous and monotone increasing. For fixed is continuous and monotone increasing. Finally and .
We then have the following upper bound on the optimal power of random Gaussian designs. (We refer to Section 7.3 for the proof.)
The next corollary specializes the above result to the case of standard Gaussian designs. (The proof is immediate and hence we omit it.)
For , let be the minimax power of a standard Gaussian design with covariance matrix , cf. Definition 2.1. Then, for any we have
It is instructive to look at the last result from a slightly different point of view. Given and , how big does the entry need to be so that ? It follows from Corollary 2.4 that to achieve a pair as above we require for some .
Previous work requires to achieve the same goal although for deterministic designs (see Appendix C). This motivates the central question of the present paper (already stated in the introduction): Can hypothesis testing be performed in the ideal regime ?
As further clarified in the next section and in Section 7.1, Theorem 2.3 by an oracle-based argument. Namely, we upper bound the power of any hypothesis testing method, by the power of an oracle that knows, for each coordinates , whether or not. In other words the procedure has access to . At first sight, this oracle appears exceedingly powerful, and hence the bound might be loose. Surprisingly, the bound turns out to be tight, at least in an asymptotic sense, as demonstrated in Section 3.
Let us finally mention that a bound similar to the present one was announced independently –and from a different viewpoint– in .
3 Proof outline
The proof of Theorem 2.3 is based on a simple reduction to the binary hypothesis testing problem. We first introduce the binary testing problem, in which the vector of coefficients is chosen randomly according to one of two distributions.
We denote by the optimal power for the binary hypothesis testing problem versus , namely:
The reduction is stated in the next lemma.
Let , be any two probability measures supported, respectively, on and as per Definition 2.5. Then, the minimax power for testing hypothesis under the random design model, cf. Definition 2.1, is bounded as
Here expectation is taken with respect to the law of and the is over all measurable functions .
The binary hypothesis testing problem is characterized in the next lemma by reducing it to a simple regression problem. For , we denote by the orthogonal projector on the linear space spanned by the columns . We also let be the projector on the orthogonal subspace.
If then for any there exists distributions , as per Definition 2.5, depending on , , but not on , such that .
The proof of this Lemma is presented in Section 7.2.
The proof of Theorem 2.3 follows from Lemmas 2.6 and 2.7, cf. Section 7.3.
Hypothesis testing for standard Gaussian designs
In this section we describe our hypothesis testing procedure (that we refer to as SDL-test) in the case of standard Gaussian designs, see subsection 3.1. In subsection 3.2, we develop asymptotic bounds on the probability of type I and type II errors. The test is shown to nearly achieve the ideal tradeoff between significance level and power , using the upper bound stated in the previous section.
Our results are based on a characterization of the high-dimensional behavior of the Lasso estimator, developed in . For the reader’s convenience, and to provide further context, we recall this result in subsection 3.3. Finally, subsection 3.4 discusses some numerical experiments.
Our SDL-test procedure for standard Gaussian designs is described in Table 1.
The key is the construction of the unbiased estimator in step 3. The asymptotic analysis developed in and in the next section establishes that is an asymptotically unbiased estimator of , and the empirical distribution of is asymptotically normal with variance . Further, the variance can be consistently estimated using the residual vector . These results establish that (in a sense that will be made precise next) the regression model (2) is asymptotically equivalent to a simpler sequence model
with noise having zero mean. In particular, under the null hypothesis , is asymptotically gaussian with mean and variance . This motivates rejecting the null if .
2 Asymptotic analysis
Note that this definition assumes the coefficients are of order one, while the noise is scaled as . Equivalently, we could have assumed and : the two settings only differ by a scaling of . We favor the first scaling as it simplifies somewhat the notation in the following.
As before, we will measure the quality of the proposed test in terms of its significance level (size) and power . Recall that and respectively indicate the type I error (false positive) and type II error (false negative) rates. The following theorem establishes that the ’s are indeed valid p-values, i.e., allow to control type I errors. Throughout is the support of .
A more general form of Theorem 3.2 (cf. Theorem 4.3) is proved in Section 7. We indeed prove the stronger claim that the following holds true almost surely
The result of Theorem 3.2 follows then by taking the expectation of both sides of Eq. (20) and using bounded convergence theorem and exchangeability of the columns of .
Our next theorem proves a lower bound for the power of the proposed test. In order to obtain a non-trivial result, we need to make suitable assumption on the parameter vectors . In particular, we need to assume that the non-zero entries of are lower bounded in magnitude. If this were not the case, it would be impossible to distinguish arbitrarily small parameters from . (In Appendix B, we also provide an explicit formula for the regularization parameter that achieves this power.)
There exists a (deterministic) choice of such that the following happens.
where is defined as follows
Here, is given by the following parametric expression in terms of the parameter :
Theorem 3.3 is proved in Section 7. We indeed prove the stronger claim that the following holds true almost surely:
The result of Theorem 3.3 follows then by taking the expectation of both sides of Eq. (24) and using exchangeability of the columns of .
Again, it is convenient to rephrase Theorem 3.3 in terms of the minimum value of for which we can achieve statistical power at significance level . It is known that . Hence, for , we have . Since , any pre-assigned statistical power can be achieved by taking which matches the fundamental limit established in the previous section.
Let us finally comment on the choice of the regularization parameter . Theorem 3.2 holds irrespective of , as long as it is kept fixed in the asymptotic limit. In other words, control of type I errors is fairly insensitive to the regularization parameters. On the other hand, to achieve optimal minimax power, it is necessary to tune to the correct value. The tuned value of for the standard Gaussian sequence model is provided in Appendix A. Further, the factor (and hence the need to estimate the noise level) can be omitted if –instead of the Lasso– we use the scaled Lasso . In subsection 3.4, we discuss another way of choosing that also avoid estimating the noise level.
3 Gaussian limit
Theorems 3.2 and 3.3 are based on an asymptotic distributional characterization of the Lasso estimator developed in . We restate it here for the reader’s convenience.
with .
In particular, this result implies that the empirical distribution of is asymptotically normal with variance . This naturally motivates the use of as a test statistics for hypothesis .
The definitions of and in step 2 are also motivated by Theorem 3.4. In particular, is asymptotically normal with variance . This is used in step 2, where is just the robust median absolute deviation (MAD) estimator (we choose this estimator since it is more resilient to outliers than the sample variance ).
4 Numerical experiments
As an illustration, we generated synthetic data from the linear model (1) with and the following configurations.
Design matrix: For pairs of values , the design matrix is generated from a realization of i.i.d. rows .
Regression parameters: We consider active sets with , chosen uniformly at random from the index set . We also consider two different strengths of active parameters , for , with .
We examine the performance of SDL-test (cf. Table 1) at significance levels . The experiments are done using glmnet-package in R that fits the entire Lasso path for linear regression models. Let and . We do not assume is known, but rather estimate it as . The value of is half the maximum sparsity level for the given such that the Lasso estimator can correctly recover the parameter vector if the measurements were noiseless . Provided it makes sense to use Lasso at all, is thus a reasonable ballpark estimate.
The regularization parameter is chosen as to satisfy
where and are determined in step 2 of the procedure. Here is the minimax threshold value for estimation using soft thresholding in the Gaussian sequence model, see and Remark B.1. Note that and in the equation above depend implicitly upon . Since glmnet returns the entire Lasso path, the value of solving the above equation can be computed by the bisection method.
As mentioned above, the control of type I error is fairly robust for a wide range of values of . However, the above is an educated guess based on the analysis of . We also tried the values of proposed for instance in on the basis of oracle inequalities.
Figure 2 shows the results of SDL-test and the method of for parameter values , and significance levels . Each point in the plot corresponds to one realization of this configuration (there are a total of realizations). We also depict the theoretical curve , predicted by Theorem 3.3. The empirical results are in good agreement with the asymptotic prediction.
We compare SDL-test with the ridge-based regression method and the low dimensional projection estimator (LDPE ) . Table 2 summarizes the results for a few configurations , and . Simulation results for a larger number of configurations and are reported in Tables 8 and 9 in Appendix E.
As demonstrated by these results, LDPE and the ridge-based regression are both overly conservative. Namely, they achieve smaller type I error than the prescribed level and this comes at the cost of a smaller statistical power than our testing procedure. This is to be expected since the approach of and cover a broader class of design matrices , and are not tailored to random designs.
Note that being overly conservative is a drawback, when this comes at the expense of statistical power. The data analysts should be able to decide the level of statistical significance , and obtain optimal statistical power at that level.
The reader might wonder whether the loss in statistical power of methods in and is entirely due to the fact that these methods achieve a smaller number of false positives than requested. In Fig. 3, we run SDL-test , ridge-based regression , and LDPE for and for realizations of the problem per each value of . We plot the average type I error and the average power of each method versus . As we see even for the same empirical fraction of type I errors, SDL-test results in a higher statistical power.
Hypothesis testing for nonstandard Gaussian designs
In this section, we generalize our testing procedure to nonstandard Gaussian design models where the rows of the design matrix are drawn independently from distribution .
We first describe the generalized SDL-test procedure in subsection 4.1 under the assumption that is known. In subsection 4.2, we show that this generalization can be justified from a certain generalization of the Gaussian limit theorem 3.4 to nonstandard Gaussian designs.
Establishing such a generalization of Theorem 3.4 appears extremely challenging. We nevertheless show that such a limit theorem follows from the replica method of statistical physics in section 4.4. We also show that a version of this limit theorem is relatively straightforward in the regime .
Finally, in Section 4.5 we discuss a procedure for estimating the covariance (cf. Subroutine in Table 4). Appendix F proposes an alternative implementation that does not estimate but instead bounds the effect of unknown .
The hypothesis testing procedure SDL-testfor general Gaussian designs is defined in Table 3.
The basic intuition of this generalization is that is expected to be asymptotically , whence the definition of (two-sided) p-values follows as in step 4. Parameters and in step 2 are defined in the same manner to the standard Gaussian designs.
2 Asymptotic analysis
Let , for , and be the empirical distribution of defined as
We will next show that the SDL-test procedure is appropriate for any random design model for which the standard distributional limit holds. Our first theorem is a generalization of Theorem 3.2 to this setting.
The proof of Theorem 4.3 is deferred to Section 7. In the proof, we show the stronger result that the following holds true almost surely
The result of Theorem 4.3 follows then by taking the expectation of both sides of Eq. (31) and using bounded convergence theorem.
The following theorem characterizes the power of SDL-test for general , and under the assumption that a standard distributional limit holds .
Theorem 4.4 is proved in Section 7. We indeed prove the stronger result that the following holds true almost surely
We also notice that in contrast to Theorem 3.3, where has an explicit formula that leads to an analytical lower bound for the power (for a suitable choice of ), in Theorem 4.4, depends upon implicitly and can be estimated from the data as in step 3 of SDL-test procedure. The result of Theorem 4.4 holds for any value of .
3 Gaussian limit for n≫s0(logp)2n\gg s_{0}(\log p)^{2}
In the following theorem we show that if sample size asymptotically dominates , then the standard distributional limit can be established rigorously.
, and ;
There exist constants such that the eigenvalues of lie in the interval : ;
The empirical distribution of converges weakly to the probability distribution of the random variable ;
The regularization parameter is for a sufficiently large constant.
Then the sequence has a standard distributional limit with and . Alternatively, can be taken to be a solution of Eq. (37) below.
Theorem 4.5 is proved in Section 7.7. The proof uses techniques from our conference paper .
Notice that this result does allow to control type I errors using Theorem 4.3, but does not allow to lower bound the power, using Theorem 4.4, since . A lower bound on the power under the same assumptions presented in this section can be found in . In the present paper we focus instead on the case bounded away from .
4 Gaussian limit via the replica heuristics for smaller sample size nn
As mentioned above, the standard distributional limit follows from Theorem 3.4 for . Even in this simple case, the proof is rather challenging . Partial generalization to non-gaussian designs and other convex problems appeared recently in and , each requiring over 50 pages of proofs.
where the the limit exists by the above assumptions on the convergence of . Then, the parameters and of the standard distributional limit are obtained by setting and solving the following with respect to :
In other words, the replica method indicates that the standard distributional limit holds for a large class of non-diagonal covariance structures . It is worth stressing that convergence assumption for the sequence is quite mild, and is satisfied by a large family of covariance matrices. For instance, it can be proved that it holds for block-diagonal matrices as long as the blocks have bounded length and the blocks empirical distribution converges.
The replica method is a non-rigorous but highly sophisticated calculation procedure that has proved successful in a number of very difficult problems in probability theory and probabilistic combinatorics. Attempts to make the replica method rigorous have been pursued over the last 30 years by some world-leading mathematicians . This effort achieved spectacular successes, but so far does not provide tools to prove the above replica claim. In particular, the rigorous work mainly focuses on ‘i.i.d. randomness’, corresponding to the case covered by Theorem 3.4.
Over the last ten years, the replica method has been used to derive a number of fascinating results in information theory and communications theory, see e.g. . More recently, several groups used it successfully in the analysis of high-dimensional sparse regression under standard Gaussian designs . The rigorous analysis of ours and other groups subsequently confirmed these heuristic calculations in several cases.
There is a fundamental reason that makes establishing the standard distributional limit a challenging task. This requires in fact to characterize the distribution of the estimator (4) in a regime where the standard deviation of is of the same order as its mean. Further, does not converge to the true value , hence making perturbative arguments ineffective.
The analysis becomes easier for a larger number of samples. In Theorem 4.5 below we will show that (a suitable version of) the standard distributional holds for asymptotically larger than . This uses methods from our companion paper .
5 Covariance estimation
So far we assumed that the design covariance is known. This setting is relevant for semi-supervised learning applications, where the data analyst has access to a large number of ‘unlabeled examples’. These are i.i.d. feature vectors , ,… with distributed as , for which the response variable is not available. In this case can be estimated accurately by . We refer to for further background on such applications.
In other applications, is unknown and no additional data is available. In this case we proceed as follows:
We estimate from the design matrix (equivalently, from the feature vectors , , …). We let denote the resulting estimate.
We use instead of in step 3 of our hypothesis testing procedure.
The problem of estimating covariance matrices in high-dimensional setting has attracted considerable attention in the past. Several estimation methods provide a consistent estimate , under suitable structural assumptions on . For instance if is sparse, one can apply the graphical model method of , the regression approach of , or CLIME estimator , to name a few.
Since the covariance estimation problem is not the focus of our paper, we will test the above approach using a very simple covariance estimation method. Namely, we assume that is sparse and estimate it by thresholding the empirical covariance. A detailed description of this estimator is given in Table 4. We refer to for a theoretical analysis of this type of methods. Note that the Lasso is unlikely to perform well if the columns of are highly correlated and hence the assumption of sparse is very natural. On the other hand, we would like to emphasize that this covariance thresholding estimation is only one among many possible approaches.
As an additional contribution, in Appendix F we describe an alternative covariance-free procedure that only uses bounds on where the bounds are estimated from the data.
In our numerical experiments, we use the estimated covariance returned by Subroutine. As shown in the next section, computed p-values appear to be fairly robust with respect to errors in the estimation of . It would be interesting to develop a rigorous analysis of SDL-test that accounts for the covariance estimation error.
6 Numerical experiments
Elements below the diagonal are given by the symmetry condition . (Notice that this is a circulant matrix.)
In Fig. 4(a), we compare SDL-test with the ridge-based regression method proposed in . While the type I errors of SDL-test are in good match with the chosen significance level , the method of is conservative. As in the case of standard Gaussian designs, this results in significantly smaller type I errors than and smaller average power in return. Also, in Fig. 5, we run SDL-test , ridge-based regression , and LDPE for and for realizations of the problem per each value of . We plot the average type I error and the average power of each method versus . As we see, similar to the case of standard Gaussian designs, even for the same empirical fraction of type I errors, SDL-test results in a higher statistical power.
Table 5 summarizes the performances of the these methods for a few configurations , and . Simulation results for a larger number of configurations and are reported in Tables 10 and 11 in Appendix E.
Let denote the vector with entries . In Fig. 4(b) we plot the normalized histograms of (in red) and (in white), where and respectively denote the restrictions of to the active set and the inactive set . The plot clearly exhibits the fact that has (asymptotically) standard normal distribution and the histogram of appears as a distinguishable bump. This is the core intuition in defining SDL-test.
Discussion
In this section we compare our contribution with related work in order to put it in proper perspective. We first compare it with other recent debiasing methods in subsection 5.1. In subsection 5.2 we then discuss the role of of the factor in our definition of : this is an important difference with respect to the methods of . We finally contrast the Gaussian limit in Theorem 3.4 and Le Cam’s local asymptotic normality theory, that plays a pivotal role in classical statistics.
As explained several times in the previous sections, the key step in our procedure is to correct the Lasso estimator through a debiasing procedure. For the reader’s convenience, we copy here the definition of the latter:
The approach of is similar in that it is based on debiased estimator of the form
where is computed from the design matrix . The authors of propose to compute by doing sparse regression of each column of onto the others.
After a first version of the present paper became available as an online preprint, de Geer, Bühlmann and Ritov studied an approach similar to (and to ours) in a random design setting. They provide guarantees under the assumptions that is sparse and that the sample size asymptotically dominates . The authors also establish asymptotic optimality of their method in terms of semiparametric efficiency. The semiparametric setting is also at the center of .
A further development over the approaches of was proposed by the present authors in . This paper constructs the matrix by solving an optimization problem that controls the bias of and minimize its variance meanwhile. This method does not require any sparsity assumption on or , but still requires sample size to asymptotically dominate .
It is interesting to compare and contrast the results of , with the contribution of the present paper. (Let us emphasize that appeared after submission of the present work.)
The approach of guarantees control of type I error, and optimality for non-Gaussian designs. (Both of require however sparsity of .)
In contrast, our results are fully rigorous only in the special case .
Neither of the papers requires knowledge of covariance . The method in estimates assuming that it is sparse, however the method does not require such estimation.
In contrast, our generalization to arbitrary Gaussian designs postulates knowledge of . (Further this generalization relies on the standard distributional limit assumption.)
The work of focuses on random designs, but requires much larger than . This is roughly the square of the number of samples needed for consistent estimation.
In contrast, we achieve similar power, and confidence intervals with optimal sample size .
In summary, the present work is complementary to the one in in that it provides a sharper characterization, within a more restrictive setting. Together, these papers provide support for the use of debiasing methods of the form (42).
2 Role of the factor 𝖽{\sf d}
It is worth stressing one subtle, yet interesting, difference between the methods of of and the one of the present paper. In both cases, a debiased estimator is constructed using Eq. (42). However:
The approach of sets to be an estimate of . In the idealized situation where is known, this construction reduces to setting .
In contrast, our prescription (41) amounts to setting , with . In other words, we choose as a scaled version of the inverse covariance.
The mathematical reason for the specific scaling factor is elucidated by the proof of Theorem 3.4 in . Here we limit ourselves to illustrating through numerical simulations that this factor is indeed crucial to ensure the normality of in the regime .
We consider the same setup as in Section 4.6 where the rows of the design matrix are generated independently from with given by (40) for . We fix undersampling ratio and sparsity level and consider values . We also take active sets with chosen uniformly at random from the index set and set for .
The goal is to illustrate the effect of the scaling factor on the empirical distribution of , for large . As we will see, the effect becomes more pronounced as the ratio (i.e. the number of samples per non-zero coefficient) becomes smaller. As above, we use for the unbiased estimator developed in this paper (which amounts to Eq. (42) with ). We will use for the ‘ideal’ unbiased estimator corresponding to the proposal of (which amounts to Eq. (42) with ).
In Fig. 7, we plot the histogram of for and using both and . Again, the plots clearly demonstrate importance of in obtaining a Gaussian behavior.
(). Figures 6(b) and 8 show similar plots for this case. As we see, the effect of becomes less noticeable here. The reason is that we expect , and for much smaller than .
3 Comparison with Local Asymptotic Normality
Our approach is based on an asymptotic distributional characterization of the Lasso estimator, cf. Theorem 3.4. Simplifying, the Lasso estimator is in correspondence with a debiased estimator that is asymptotically normal in the sense of finite-dimensional distributions. This is analogous to what happens in classical statistics, where local asymptotic normality (LAN) can be used to characterize an estimator distribution, and hence derive test statistics .
This analogy is only superficial, and the mathematical phenomenon underlying Theorem 3.4 is altogether different from the one in local asymptotic normality. We refer to for a more complete understanding, and only mention a few points:
LAN theory holds in the low-dimensional limit, where the number of parameters is much smaller than the number of samples . Even more, the focus is on fixed, and .
In contrast, the Gaussian limit in Theorem 3.4 holds with proportional to .
The starting point of LAN theory is low-dimensional consistency, namely as . As a consequence, the distribution of can be characterized by a local approximation around .
In contrast, in the high-dimensional asymptotic regime of Theorem 3.4, the mean square error per coordinate remains bounded away from zero . As a consequence, normality does not follow from local approximation.
Indeed, in the present case, the Lasso estimator (which is of course a special case of M-estimator) is not normal. Only the debiased estimator is asymptotically normal. Further, while LAN theory holds quite generally in the classical asymptotics, the present theory is more sensitive to the properties of the design matrix .
Real data application
We tested our method on the UCI communities and crimes dataset . This concerns the prediction of the rate of violent crime in different communities within US, based on other demographic attributes of the communities. The dataset consists of a response variable along with 122 predictive attributes for 1994 communities. Covariates are quantitative, including e.g., the fraction of urban population or the median family income. We consider a linear model as in (2) and hypotheses . Rejection of indicates that the -th attribute is significant in predicting the response variable.
In order to evaluate various hypothesis testing procedures, we need to know the true significant variables. To this end, we let be the least-square estimator, using the whole data set. Figure 9 shows the the entries of . Clearly, only a few entries have non negligible values which correspond to the significant attributes. In computing type I errors and powers, we take the elements in with magnitude larger than as active and the others as inactive.
In order to validate our approach in the high-dimensional regime, we take random subsamples of the communities (hence subsamples of the rows of ) of size . We compare SDL-test with the method of , over realizations and significance levels . The fraction of type I errors and statistical power is computed by comparing to . Table 6 summarizes the results. As the reader can see, Buhlmann’s method is very conservative yielding to no type-I errors and but much smaller power than SDL-test.
In table 7, we report the relevant features obtained from the whole dataset as described above, corresponding to the nonzero entries in . We also report the features identified as relevant by SDL-test and those identified as relevant by Ridge-based regression method, from one random subsample of communities of size . Features description is available in .
Finally, in Fig. 10 we plot the normalized histograms of (in red) and (in white). Recall that denotes the vector with . Further, and respectively denote the restrictions of to the active set and the inactive set . This plot demonstrates that has roughly standard normal distribution as predicted by the theory.
Proofs
We now take expectation of these inequalities with respect to (in the first case) and (in the second case) and we get, with the notation introduced in the Definition 2.5,
The thesis follows since is arbitrary.
2 Proof of Lemma 2.7
it is a straightforward calculation to drive the power of this test as
where the function is defined as per Eq. (10). Next we show that the power of this test converges to as . Hence the claim is proved by taking for some large enough.
where the second step follows from matrix inversion lemma. Clearly, as , the right hand side of the above equation converges to . Therefore, the power converges to .
3 Proof of Theorem 2.3
Let . By Lemma 2.6 and 2.7, we have,
with the taken over measurable functions , and defined as per Eq. (10).
Since and are jointly Gaussian, we have
with independent of . It follows that
4 Proof of Theorem 3.3
In addition, since is a continuity point of the distribution of , we have
Now, we take the expectation of both sides of Eq. (56) with respect to the law of random design and random noise . Changing the order of limit and expectation by applying dominated convergence theorem and using linearity of expectation, we obtain
5 Proof of Theorem 4.3
converges weakly to . Hence,
Applying the same argument as in the proof of Theorem 3.3, we obtain the following by taking the expectation of both sides of the above equation
6 Proof of Theorem 4.4
Similar to the proof of Theorem 3.3, by taking the expectation of both sides of the above inequality we get
7 Proof of Theorem 4.5
In order to prove the claim, we will establish the following (corresponding to the the case of Definition 4.1):
If solves Eq. (37), then as .
Recalling , the empirical distribution of converges weakly to .
We will prove these three claims after some preliminary remarks. First notice that, by [59, Theorem 6] (and using assumptions and ) satisfies the restricted eigenvalue property RE of with a -independent constant , almost surely for all large enough. (Indeed Theorem 6 of ensures that this holds with probability at least , and hence almost surely for all large enough by Borel-Cantelli lemma.)
We can therefore apply [18, Theorem 7.2] to conclude that there exists a constant such that, almost surely for all large enough, we have
(Here we used for all large enough.) In particular, from Eq. (67) and assumption , it follows that and hence, almost surely,
By Eq. (68), we can assume for all large enough. By Eq. (37) it is sufficient to show that uniformly for , , for some . Since , and by dominated convergence, we have
Therefore, substituting , we have
The random variables are . Therefore by union bound, since , for , we have
7.2 Claim 2
Let . Conditional on , we have
Using the assumption and employing [33, Lemma 7.2], we have, almost surely,
Consequently, we have, for almost every sequence of matrices , letting independent of
(Here, the first identity follows from Eq. (74), the second from Eq. (75) and the Lipschitz continuity of , and the last from assumption , together with the fact that is bounded Lipschitz.)
Next, applying Gaussian isoperimetry to the conditional measure of given (noting that almost surely for all large enough and some constant ), and to the Lipschitz function , we have
almost surely for all large enough. Using Borel-Cantelli lemma, we conclude that, almost surely
Substituting in definition of , we get
where we recall that and we defined
The proof is therefore concluded if we can show that, almost surely,
In order to simplify the notation, and since the last argument plays no role, we let . Without loss of generality we will assume that , and that the Lipschitz modulus of is at most one.
In order to prove the claim (84), note that, by triangular inequality,
The first term in Eq. (86) vanishes since by assumption , , and therefore
Consider next the third term in Eq. (86):
where the second inequality follows from (65), that holds almost surely for all large enough. Next, using Eq. (68),
Consider next the last term in Eq. (86), and fix arbitrarily small. Since by Eq. (68), almost surely for all large enough, we have
Let . By Eq. (67) we have almost surely for all large enough. Hence, using for all large enough, we get
The operator norm can be upper bounded using the following lemma, whose proof can be found in Appendix G. (See also the conference paper for a similar estimate: we provide a full proof in appendix for the reader’s convenience.)
Under the assumption of Theorem 4.5, for any constant , there exists
with probability at least for all large enough.
Using Borel-Cantelli lemma together with Eq. (94) and Eq. (66) in Eq. (93) we get, almost surely for all large enough, and some constant
Hence, using Eq. (92) and assumption
7.3 Claim 3
This is immediate by the law of large numbers, since has i.i.d. entries and by assumption .
and the right hand side converges to as . Here the first term is controlled using Eq. (64), and the second using Eq. (68). These derivations are almost identical to the ones of Claim 2, and we omit them.
Acknowledgements
This work was partially supported by the NSF CAREER award CCF-0743978, and the grants AFOSR FA9550-10-1-0360 and AFOSR/DARPA FA9550-12-1-0411.
Appendix A Effective noise variance τ02\tau_{0}^{2}
As stated in Theorem 3.4 the unbiased estimator can be regarded –asymptotically– as a noisy version of with noise variance . An explicit formula for is given in . For the reader’s convenience, we explain it here using our notations.
where and are defined as in Theorem 3.4. Let be the unique non-negative solution of the equation
The effective noise variance is obtained by solving the following two equations for and , restricted to the interval :
Existence and uniqueness of is proved in [10, Proposition 1.3].
Appendix B Tunned regularization parameter λ\lambda
In previous appendix, we provided the value of for a given regularization parameter . In this appendix, we discuss the tuned value for to achieve the power stated in Theorem 3.3.
Let be the family of -sparse distributions. Also denote by the minimax risk of soft thresholding denoiser (at threshold value ) over , i.e.,
The function can be computed explicitly by evaluating the mean square error on the worst case -sparse distribution. A simple calculation gives
In words, is the minimax optimal value of threshold over . The value of for Theorem 3.3 is then obtained by solving Eq. (103) for with , and then substituting and in Eq. (104) to get .
where the normalization factor is given by Eq. (17).
Appendix C Statistical power of earlier approaches
In this appendix, we briefly compare our results with those of Zhang and Zhang , and Bühlmann . Both of these papers consider deterministic designs under restricted eigenvalue conditions. As a consequence, controlling both type I and type II errors requires a significantly larger value of .
In , authors propose low dimensional projection estimator (LDPE ) to assess confidence intervals for the parameters . Following the treatment of , a necessary condition for rejecting with non-negligible probability is
which follows immediately from [16, Eq. (23)]. Further and are lower bounded in as follows
where for a standard Gaussian design . Using further which again holds with high probability for standard Gaussian designs, we get the necessary condition
In , p-values are defined, in the notation of the present paper, as
with a ‘corrected’ estimate of , cf. [17, Eq. (2.14)]. The corrected estimate is defined by the following motivation. The ridge estimator bias, in general, can be decomposed into two terms. The first term is the estimation bias governed by the regularization, and the second term is the additional projection bias , where denotes the orthogonal projector on the row space of . The corrected estimate is defined in such a way to remove the second bias term under the null hypothesis . Therefore, neglecting the first bias term, we have .
Following [17, Eq. (2.13)] and keeping the dependence on instead of assuming , we have
Further, plugging for we have
Appendix D Replica method calculation
where denotes the Hessian, which is diagonal since is separable. If is non differentiable, then we formally set for all the coordinates such that is non-differentiable at . It can be checked that this definition is well posed and that yields the previous choice for .
We pass next to establishing the claim. We limit ourselves to the main steps, since analogous calculations can be found in several earlier works . For a general introduction to the method and its motivation we refer to . Also, for the sake of simplicity, we shall focus on characterizing the asymptotic distribution of , cf. Eq. (28). The distribution of is derived by the same approach.
Within the replica method, it is assumed that the limits , exist almost surely for the quantity , and that the order of the limits can be exchanged. We therefore define
In other words is the exponential growth rate of . It is also assumed that concentrates tightly around its expectation so that can in fact be evaluated by computing
where expectation is being taken with respect to the distribution of . Notice that, by Eq. (122) and using Laplace method in the integral (120), we have
Finally we assume that the derivative of as can be obtained by differentiating inside the limit. This condition holds, for instance, if the cost function is strongly convex at . We get
Hence, by computing using Eq. (123) for a complete set of functions , we get access to the corresponding limit quantities (126) and hence, via standard weak convergence arguments, to the joint empirical distribution of the triple , cf. Eq. (29).
In order to carry out the calculation of , we begin by rewriting the partition function (120) in a more convenient form. Using the definition of and after a simple manipulation
The replica method aims at computing the expected log-partition function, cf. Eq. (123) using the identity
This formula would require computing fractional moments of as . The replica method consists in a prescription that allows to compute a formal expression for the integer, and then extrapolate it as . Crucially, the limit is inverted with the one :
In order to represent , we use the identity
Using these identities in Eq. (133), we obtain
where the integral is over (imaginary axis) and . We apply this identity to Eq. (135), and introduce integration variables and . Letting and
We next use the saddle point method in Eq. (137) to obtain
where , is the saddle-point location. The replica method provides a hierarchy of ansatz for this saddle-point. The first level of this hierarchy is the so-called replica symmetric ansatz postulating that , ought to be invariant under permutations of the row/column indices. This is motivated by the fact that is indeed left unchanged by such change of variables. This is equivalent to postulating that
where the factor is for future convenience. Given that the partition function, cf. Eq. (120) is the integral of a log-concave function, it is expected that the replica-symmetric ansatz yields in fact the correct result .
The next step consists in substituting the above expressions for , in and then taking the limit . We will consider separately each term of , cf. Eq. (138).
Let us consider . We have
Finally, introducing the notation , we have
Putting Eqs. (144), (147), and (150) together we obtain
We can next take the limit . In doing this, one has to be careful with respect to the behavior of the saddle point parameters , . A careful analysis (omitted here) shows that have the same limit, denoted here by , and have the same limit, denoted by . Moreover and . Substituting in the above expression, and using Eq. (123), we get
Finally, we must set and to their saddle point values. We start by using the stationarity conditions with respect to , :
We use these to eliminate and . Renaming , we get our final expression for :
Here it is understood that and are to be set to their saddle point values.
We are interested in the derivative of with respect to , cf. Eq. (126). Consider first the case . Using the assumption , cf. Eq. (34), we get
The values of , are obtained by setting to zero the partial derivatives
Define, as in the statement of the Replica Claim
where the last identity follows by integration by parts. These limits exist by the assumption that . In particular
Substituting these expressions in Eqs. (161), (162), and simplifying, we conclude that the derivatives vanish if and only if satisfy the following equations
The solution of these equations is expected to be unique for convex and .
Next consider the derivative of with respect to , which is our main object of interest, cf. Eq. (126). By differentiating Eq. (158) and inverting the order of derivative and limit, we get
Comparing with Eq. (126), this proves the claim that the standard distributional limit does indeed hold.
Notice that is given by Eq. (167) that, for does indeed coincide with the claimed Eq. (37). Finally consider the scale parameter defined by Eq. (119). We claim that
Consider, for the sake of simplicity, the case that is differentiable and strictly convex (the general case can be obtained as a limit). Then the minimum condition of the proximal operator (35) reads
Differentiating with respect to , and denoting by the Jacobian of , we get and hence
The claim (171) follows by comparing this with Eq. (119), and noting that, by the above is indeed asymptotically distributed as the estimator (118).
Appendix E Simulation results
Consider the setup discussed in Section 3.4. We compute type I error and statistical power of SDL-test , ridge-based regression , and LDPE for realizations of each configuration. The experiment results for the case of identity covariance () are summarized in Tables 8 and 9. Table 8 and Table 9 respectively correspond to significance levels and . The results are also compared with the asymptotic bound given in Theorem 3.3.
The results for the case of circulant covariance matrix are summarized in Tables 10 and 11. Table 10 and Table 11 respectively correspond to significance levels and . The results are also compared with the lower bound given in Theorem 4.4.
For each configuration, the tables contain the means and the standard deviations of type I errors and the powers across 10 realizations. A quadruple such as denotes the values of , , , .
Appendix F Alternative hypothesis testing procedure
SDL-test, described in Table 3, needs to compute an estimate of the covariance matrix . Here, we discuss another hypothesis testing procedure which leverages on a slightly different form of the standard distributional limit, cf. Definition 4.1. This procedure only requires bounds on that can be estimated from the data. Furthermore, we establish a connection with the hypothesis testing procedure of . We will describe this alternative procedure synthetically since it is not the main focus of the paper.
In order to motivate the new assumption, notice that the standard distributional limit is consistent with being approximately . If this holds, then
Under the null-hypothesis , we get
where denotes the vector . Similarly and respectively denote the vectors and . Therefore,
Following the philosophy of , the key step in obtaining a p-value for testing is to find constants , such that asymptotically
where , and denotes “stochastically smaller than or equal to”. Then, we can define the p-value for the two-sided alternative as
Control of type I errors then follows immediately from the construction of p-values:
In order to define the constant , we use analogous argument to the one in :
Recall that is the solution of the Lasso with regularization parameter . Due to the result of , using , the following holds with probability at least :
where is the sparsity (number of active parameters) and is the compatibility constant. Assuming for simplicity (which can be ensured by normalizing the columns of ), we can define
Therefore, this procedure only requires to bound the off-diagonal entries of , i.e., . It is straightforward to bound this quantity using the empirical covariance, .
where the first step follows from [63, Remark 5.18] and the second step follows from definition of sub-exponential and sub-gaussian norms and using the assumption .
Now, by applying Bernstein-type inequality for centered sub-exponential random variables , we get
Choosing , and assuming , we arrive at
Using union bound for , , we get
The result follows from the inequality . ∎
Appendix G Proof of Lemma 7.1
Moreover, recalling that for any two random variables , , we have
Since , we have , and thus , for some constant . Now, by applying Bernstein inequality for centered sub-exponential random variables , for every , we have
where is an absolute constant. Therefore, for any constant , since , we have
In order to bound the right hand side of Eq. (193), we use a -net argument. Clearly, and where denotes that the two objects are isometric. By [63, Lemma 5.2], there exists a -net of (and hence of ) with size at most . Similarly there exists a -net of of size at most . Hence, using Eq. (194) and taking union bound over all vectors in and , we obtain
with probability at least .
The last part of the argument is based on the following lemma, whose proof is standard (see e.g. or [33, Appendix D]).
Employing Lemma G.1 and bound (195) in Eq. (193), we arrive at
with probability at least .
Finally, note that there are less than pairs of subsets , with , . Taking union bound over all these sets, we obtain that with high probability,
for all such sets , where is a constant.