Statistical Query Lower Bounds for Robust Estimation of High-dimensional Gaussians and Gaussian Mixtures
Ilias Diakonikolas, Daniel M. Kane, Alistair Stewart
Introduction
For the unsupervised estimation problems considered here, the input is a probability distribution which is accessed via a sampling oracle, i.e., an oracle that provides i.i.d. samples from the underlying distribution. Statistical Query (SQ) algorithms are a restricted class of algorithms that are only allowed to query expectations of functions of the distribution rather than directly access samples. This class of algorithms is quite broad: a wide range of known algorithmic techniques in machine learning are known to be implementable using SQs. These include spectral techniques, moment and tensor methods, local search (e.g., Expectation Maximization), and many others (see, e.g., [CKL+06, FGR+13] for a detailed discussion). Moreover, for the unsupervised learning problems studied in this paper, all known algorithms with non-trivial performance guarantees are SQ or are easily implementable using SQs.
A number of techniques have been developed in information theory and statistics to characterize the sample complexity of inference tasks. These involve both techniques for proving sample complexity upper bounds (e.g., VC dimension, metric/bracketing entropy) and information-theoretic lower bounds (e.g., Fano and Le Cam methods). On the other hand, computational lower bounds have been much more scarce in the unsupervised setting. Perhaps surprisingly, it is possible to prove unconditional lower bounds on the computational complexity of any SQ algorithm that solves a given learning problem. Given the ubiquity and generality of SQ algorithms, an SQ lower bound provides strong evidence of the problem’s computational intractability.
In this paper, we describe a general technique that yields the first Statistical Query lower bounds for a range of fundamental high-dimensional learning problems involving Gaussian distributions. Such problems are ubiquitous in applications across the data sciences and have been intensely investigated by different communities of researchers for several decades. Our main results are for the problems of (1) learning Gaussian mixture models (GMMs), and (2) robust (agnostic) learning of a single unknown Gaussian distribution. In particular, we show a super-polynomial gap between the (information-theoretic) sample complexity and the computational complexity of any Statistical Query algorithm for these problems. In more detail, our SQ lower bound for Problem (1) is qualitatively matched by known learning algorithms for GMMs (all of which can be implemented as SQ algorithms). For Problem (2), we give a new (SQ) algorithm in this paper whose running time nearly matches our SQ lower bound.
Our SQ lower bounds are attained via a unified moment-matching technique that is useful in other contexts and may be of broader interest. Our technique yields nearly-tight lower bounds for a number of related unsupervised estimation problems. Specifically, for the problems of (3) robust covariance estimation in spectral norm, and (4) robust sparse mean estimation, we establish a quadratic statistical–computational tradeoff for SQ algorithms, matching known upper bounds.
Finally, we use our technique to obtain tight sample complexity lower bounds for high-dimensional testing problems. Specifically, for the classical problem of robustly testing an unknown mean (known covariance) Gaussian, our technique implies an information-theoretic lower bound that scales linearly in the dimension. This lower bound matches the sample complexity of the corresponding robust learning problem and separates the sample complexity of robust testing from standard (non-robust) testing. This separation is surprising because such a gap does not exist for the corresponding learning problem.
Before we discuss our contributions in detail, we provide the necessary background for the Statistical Query model and the unsupervised estimation problems that we study.
A Statistical Query (SQ) algorithm relies on an oracle that given any bounded function on a single domain element provides an estimate of the expectation of the function on a random sample from the input distribution. This computational model was introduced by Kearns [Kea98] in the context of supervised learning as a natural restriction of the PAC model [Val84]. Subsequently, the SQ model has been extensively studied in a plethora of contexts (see, e.g., [Fel16b] and references therein).
A recent line of work [FGR+13, FPV15, FGV15, Fel16a] developed a framework of SQ algorithms for search problems over distributions – encompassing the distribution estimation problems we study in this work. It turns out that one can prove unconditional lower bounds on the computational complexity of SQ algorithms via the notion of Statistical Query dimension. This complexity measure was introduced in [BFJ+94] for PAC learning of Boolean functions and was recently generalized to the unsupervised setting [FGR+13, Fel16a]. A lower bound on the SQ dimension of a learning problem provides an unconditional lower bound on the computational complexity of any SQ algorithm for the problem.
Remark. We would like to emphasize here that the SQ lower bounds shown in this paper apply to the running time of an SQ algorithm and not on its sample complexity (when we simulate the SQ algorithm by drawing samples to answer its SQ queries). Specifically, for all learning problems considered in this paper, there exist straightforward SQ algorithms (that can be simulated with sample access to the distribution) with near-optimal sample complexity, albeit with exponential running time. Specifically, lower bounds on the SQ dimension of the corresponding problems establish lower bounds on the running time of any SQ algorithm for the problem – not on its sample complexity.
In the preceding paragraphs, we were working under the assumption that the unknown distribution generating the samples is exactly a mixture of Gaussians. The more general and realistic setting of robust (or agnostic) learning – when our assumption about the model is approximately true – turns out to be significantly more challenging. Specifically, until recently, even the most basic setting of robustly learning an unknown mean Gaussian with identity covariance matrix was poorly understood. Without corruptions, this problem is straightforward: The empirical mean gives a sample-optimal efficient estimator. Unfortunately, the empirical estimate is very brittle and fails in the presence of corruptions.
Agnostically learning a single high-dimensional Gaussian is arguably the prototypical problem in robust statistics [Hub64, HRRS86, HR09]. Early work in this field [Tuk75, DG92] studied the sample complexity of robust estimation. Specifically, for the case of an unknown mean and known covariance Gaussian, the Tukey median [Tuk75] achieves -error with samples (see, e.g., [CGR15] for a simple proof). Since samples are information-theoretically necessary – even without noise – the robustness requirement does not change the sample complexity of the problem.
The computational complexity of agnostically learning a Gaussian is less understood. Until recently, all known polynomial time estimators could only guarantee error of . Two recent works [DKK+16, LRV16] made a first step in designing robust polynomial-time estimators for this problem. The results of [DKK+16] apply in the standard agnostic model; [LRV16] works in a weaker model – known as Huber’s contamination model [Hub64] – where the noisy distribution is of the form , where is an unknown “noise” distribution. For the problem of robustly estimating an unknown mean Gaussian , [LRV16] obtains an error guarantee of , while [DKK+16] obtains error , independent of the dimensionThe algorithm of [LRV16] can be extended to work in the standard agnostic model at the expense of an increased error guarantee of ..
A natural and important open problem, put forth by these works [DKK+16, LRV16], is the following:
A statistical–computational tradeoff refers to the phenomenon that there is an inherent gap between the information-theoretic sample complexity of a learning problem and its computational sample complexity, i.e, the minimum sample complexity attainable by any polynomial time algorithm for the problem. The prototypical example is the estimation of a covariance matrix under sparsity constraints (sparse PCA) [JL09, CMW13, CMW15], where a nearly-quadratic gap between information-theoretic and computational sample complexity has been established (see [BR13b, WBS16b]) – assuming the computational hardness of the planted clique problem.
For a number of high-dimensional learning problems (including the problem of robustly learning a Gaussian under the total variation distance), it is known that the robustness requirement does not change the information-theoretic sample complexity of the problem. On the other hand, it is an intriguing possibility that injecting noise into a high-dimensional learning problem may change its computational sample complexity.
Does robustness create inherent statistical–computational tradeoffs for natural high-dimensional estimation problems?
In this work, we consider two natural instantiations of the above general question: (i) robust estimation of the covariance matrix in spectral norm, and (ii) robust sparse mean estimation. We give basic background for these problems in the following paragraphs.
Is there a computationally efficient robust covariance estimator in spectral error that uses a strongly sub-quadratic sample size, i.e., for a constant ?
Is there a computationally efficient robust -sparse mean estimator that uses a strongly sub-quadratic sample size , i.e., for a constant ?
It is conjectured in [Li17] that a quadratic gap is in fact inherent for efficient algorithms.
So far, we have discussed the problem of learning an unknown distribution that is promised to belong (exactly or approximately) in a given family (Gaussians, mixtures of Gaussians). A related inference problem is that of hypothesis testing [NP33, LR05]: Given samples from a distribution in a given family, we want to distinguish between a null hypothesis and an alternative hypothesis. Starting with [GR00, BFR+00], this broad question has been extensively investigated in TCS with a focus on discrete probability distributions. A natural way to solve a distribution testing problem is to learn the distribution in question to good accuracy and then check if the corresponding hypothesis is close to one satisfying the null hypothesis. This testing-via-learning approach is typically suboptimal and the main goal in this area has been to obtain testers with sub-learning sample complexity.
In this paper, we study natural hypothesis testing analogues of the high-dimensional learning problems discussed in the previous paragraphs. Specifically, we study the sample complexity of (i) robustly testing an unknown mean Gaussian, and (ii) testing a GMM.
Robust hypothesis testing is of fundamental importance and has been extensively studied in robust statistics [HR09, HRRS86, Wil97]. Perhaps surprisingly, it is poorly understood in the most basic settings, even information-theoretically. Specifically, the sample complexity of our aforementioned robust mean testing problem has remained open. It is easy to see that the tester of Appendix C fails in the robust setting. On the other hand, the testing-via-learning approach implies a sample upper bound of for our robust testing problem – by using, e.g., the Tukey median. The following question arises:
Is there an information-theoretic gap between robust testing and non-robust testing? What is the sample complexity of robustly testing the mean of a high-dimensional Gaussian?
2 Our Results
The main contribution of this paper is a general technique to prove lower bounds for a range of high-dimensional estimation problems involving Gaussian distributions. We use analytic and probabilistic ideas to construct explicit families of hard instances for the estimation problems described in Section 1.1. Using our technique, we prove super-polynomial Statistical Query (SQ) lower bounds that answer Questions 1.1 and 1.2 in the negative for the class of SQ algorithms. We also show that the observed quadratic statistical–computational gap for robust sparse mean estimation and robust spectral covariance estimation is inherent for SQ algorithms. As an additional important application of our technique, we obtain information-theoretic lower bounds on the sample complexity of the corresponding testing problems. (We note that our testing lower bounds apply to all algorithms.) Specifically, we answer Question 1.4 in the affirmative, by showing that the robustness requirement makes the Gaussian testing problem information-theoretically harder. In the body of this section, we state our results and elaborate on their implications and the connections between them.
Our first main result is a lower bound of on the complexity of any SQ algorithm that learns an arbitrary -dimensional -GMM to constant accuracy (see Theorem 4.1 for the formal statement):
At a conceptual level, Theorem 1.1 implies that – as far as SQ algorithms are concerned – the computational complexity of learning high-dimensional GMMs is inherently exponential in the dimension of the latent space – even though there is no such information-theoretic barrier in general. Our SQ lower bound identifies a common barrier of the strongest known algorithmic approaches for this learning problem, and provides a rigorous explanation why a long line of algorithmic research on this front either relied on strong separation assumptions or resulted in runtimes of the form .
Our second main result concerns the agnostic learning of a single -dimensional Gaussian. We prove two SQ lower bounds with qualitatively similar guarantees for different versions of this problem. Our first lower bound is for the problem of agnostically learning a Gaussian with unknown mean and identity covariance. Roughly speaking, we show that any SQ algorithm that solves this learning problem to accuracy requires complexity . We show (see Theorem 5.1 for a more detailed statement):
Roughly speaking, Theorem 1.2 shows that any SQ algorithm that solves the (unknown mean Gaussian) robust learning problem to accuracy needs to have running time at least , i.e., quasi-polynomial in . It is natural to ask whether this quasi-polynomial lower bound can be improved to, say, exponential, e.g., We show that the lower bound of Theorem 1.2 is qualitatively tight. We design an (SQ) algorithm that uses SQ queries of inverse quasi-polynomial precision. Moreover, we can turn this SQ algorithm into an algorithm in the sampling oracle model with similar complexity. Specifically, we show (see Theorem 8.7 and Corollary 8.8):
Our second super-polynomial SQ lower bound is for the problem of robustly learning a zero-mean unknown covariance Gaussian with respect to the spectral norm. Specifically, we show (see Theorem 5.12 for a detailed statement):
Our next SQ lower bounds establish nearly quadratic statistical–computational tradeoffs for robust spectral covariance estimation and robust sparse mean estimation. We note that both these lower bounds also hold in Huber’s contamination model. For the former problem, we show (see Theorem 6.1 for the formal statement):
We note that, in order to simulate a single query of the above precision, we need to draw samples from our distribution. Roughly speaking, Theorem 1.5 shows that if an SQ algorithm uses less than this many samples, then it needs to run in time. This suggests a nearly-quadratic statistical-computational tradeoff for this problem.
For robust sparse mean estimation we show (see Theorem 6.6 for the detailed statement):
Similarly, to simulate a single query of the above precision, we need to draw samples from our distribution. Hence, any SQ algorithm that uses this many samples requires runtime at least . This suggests a nearly-quadratic statistical-computational tradeoff for this problem.
We now turn to our information-theoretic lower bounds on the sample complexity of the corresponding high-dimensional testing problems. For the robust Gaussian mean testing problem in Huber’s contamination model, we show (see Theorem 7.5 for a more detailed statement):
As stated in the Introduction, without the robustness requirement, for any constant , the Gaussian mean testing problem can be solved with samples. Hence, the conceptual message of Theorem 1.7 is that robustness makes the Gaussian mean testing problem information-theoretically harder. In particular, the sample complexity of robust testing is essentially the same as that of the corresponding learning problem. Theorem 1.7 can be viewed as a surprising fact because it implies that the effect of robustness can be very different for testing versus learning of the same distribution family. Indeed, recall that the sample complexity of robustly learning an -corrupted unknown mean Gaussian, up to error , is – i.e., the same as in the noiseless case.
As a final application of our techniques, we show a sample complexity lower bound for the problem of testing whether a spherical GMM is close to a Gaussian (see Theorem 7.6 for the detailed statement):
Similarly, the sample lower bound of Theorem 1.8 is optimal, up to constant factors, and coincides with the sample complexity of learning the underlying distribution.
3 Our Approach and Techniques
In this section, we provide a detailed outline of our approach and techniques. The structure of this section is as follows: We start by describing our Generic Lower Bound Construction, followed by our main applications to the problems of Learning GMMs and Robustly Learning an Unknown Gaussian. We continue with our applications to statistical–computational tradeoffs. We then explain how our generic technique can be used to obtain our Sample Complexity Testing Lower Bounds, which rely on essentially the same hard instances as our SQ lower bounds. We conclude with a sketch of our new (SQ) Algorithm for Robustly Learning an Unknown Mean Gaussian to optimal accuracy.
The main idea of our lower bound construction is quite simple: We construct a family of distributions that are standard Gaussians in all but one direction, but are somewhat different in the remaining direction (Definition 3.1). Effectively, we are hiding the interesting information about our distributions in this unknown choice of direction. By exploiting the simple fact that it is possible to find exponentially many nearly-orthogonal directions (Lemma 3.7), we are able to show that any SQ algorithm with insufficient precision needs many queries in order to learn an unknown distribution from .
To prove our generic SQ lower bound, we need to bound from below the SQ-dimension of our hard family of distributions . Roughly speaking, the SQ-dimension of a distribution family (Definition 2.11) corresponds to the number of nearly uncorrelated distributions (with respect to some fixed distribution) in the family (see Definitions 2.9 and 2.10). It is known that a lower bound on the SQ-dimension implies a corresponding lower bound on the number and precision of queries of any SQ algorithm (see Lemma 2.12).
For the sake of the intuition, we make two observations: (1) If and have substantially different moments of degree at most , for some , then and can be easily distinguished by comparing their -order moment tensors. Since these tensors can be approximated in roughly queries (and time), the aforementioned lower bound construction would necessarily fail unless the low-order moments of match the corresponding low-order moments of . We show that, aside from a few mild technical conditions (see Condition 3.2), this moment-matching condition is essentially sufficient for our purposes. If the degree at most tensors agree, we need to approximate tensors of degree . Intuitively, in order to extract useful information from these higher degree tensors, one needs to approximate essentially all of the many such tensor entries. (2) A natural approach to distinguish between and would be via random projections. As a critical component of our proof, we show (see Lemma 3.5) that a random projection of will be exponentially close to with high probability. Therefore, a random projection-based algorithm would require exponentially many random directions until it found a good one.
We now proceed with a somewhat more technical description of our proof. To bound from below the SQ-dimension of our hard family of distributions, we proceed as follows: The definition of the pairwise correlation (Definition 2.9) implies we need to show that , where is the Gaussian measure, for any pair of unit vectors that are nearly orthogonal. To prove this fact, we make essential use of the Gaussian (Ornstein–Uhlenbeck) noise operator and its properties (see, e.g., [O’D14]). We explain this connection in the following paragraph.
By construction of the distributions , it follows that in the directions perpendicular to both and , the relevant factors integrate to . Letting and and letting be the orthogonal directions to and , we need to consider the integral
Fixing and integrating over the orthogonal direction, we get
Now, if and are (exactly) orthogonal, and the inner integral equals . When this is not the case, the term is not quite vertical and the term not quite horizontal, so instead what we get is only nearly Gaussian. In general, the inner integral is equal to
where is the member of the Ornstein–Uhlenbeck semigroup, We show that this quantity is close to a Gaussian, when is close to (see Lemma 3.4).
The core idea of the analysis relies on the fact that is a smeared out version of . As such, it only retains the most prominent features of , namely its low-order moments. In fact, we are able to show that if and agree in their first moments, then is -close to a Gaussian (see Lemma 3.5), and thus the integral in question is -close to . This intuition is borne out in a particularly clean way by writing in the basis of Hermite polynomials. The moment-matching condition implies that the decomposition involves none of the Hermite polynomials of degrees through . However, the Ornstein–Uhlenbeck operator, , is diagonalized by the basis with eigenvalue . Thus, if can be written in this basis with no terms of degree less than , applying decreases the size of the function by a multiple of approximately .
So far, we have provided a proof sketch of the following statement (Lemma 3.4): When two unit vectors are nearly orthogonal, then the distributions are nearly uncorrelated. Since, for , we can pack unit vectors onto the sphere so that their pairwise inner products are at most (Lemma 3.7), we obtain an SQ-dimension lower bound of our hard family. In particular, to learn the distribution , for unknown , any SQ algorithm requires either queries or queries of accuracy better than (Proposition 3.3). This completes the proof sketch of our generic construction.
The properties of our one-dimensional distribution are summarized in Proposition 4.2. Specifically, we construct a distribution on the real line that is a -mixture of one-dimensional “skinny” Gaussians, , that agrees with on the first moments (condition (i)). For technical reasons, we require that the chi-squared divergence of to is bounded from above by an appropriate quantity (condition (iv)). The Gaussian components, , have the same variance and appropriately bounded means (condition (ii)). We can also guarantee that the components are almost non-overlapping (condition (iii)). This implies that the corresponding high-dimensional distributions will be at total variation distance close to from each other when the directions are nearly orthogonal, and moreover their means will be sufficiently separated.
To establish the existence of a distribution with the above properties, we proceed in two steps: First, we construct (Lemma 4.3) a discrete one-dimensional distribution supported on points, lying in an length interval, that agrees with on the first moments. The existence of such a distribution essentially follows from standard tools on Gauss-Hermite quadrature. The distribution is then obtained (Corollary 4.4) by adding a zero-mean skinny Gaussian to an appropriately rescaled version of . Additional technical work (Lemmas 4.5 and 4.6) gives the other conditions.
Our family of hard high-dimensional instances will consist of GMMs that look like almost non-overlapping “parallel pancakes” and is reminiscent of the family of instances considered in Brubaker and Vempala [BV08]. For the case of , consider a -GMM where both components have the same covariance that is far from spherical, the vector between the means is parallel to the unit eigenvector with smallest eigenvalue, and the distance between the means is a large multiple of the standard deviation in this direction (but a small multiple of that in the orthogonal direction). This family of instances was considered in [BV08], who gave an efficient spectral algorithm to learn them.
Our lower bound construction can be thought of as “parallel pancakes” in which the means lie in a one-dimensional subspace, corresponding to the smallest eigenvalue of the identical covariance matrices of the components. All orthogonal directions will have an eigenvalue of , which is much larger than the smallest eigenvalue. In other words, for each unit vector , the -GMM will consist of “skinny” Gaussians whose mean vectors all lie in the direction of . Moreover, each pair of components will have total variation distance very close to and their mean vectors are separated by . We emphasize once more that our hard family of instances is learnable with samples – both for density estimation and parameter estimation. On the other hand, any SQ learning algorithm for the family requires time.
In the agnostic model, there are two types of adversarial noise to handle: subtractive noise – corresponding to the good samples removed by the adversary – and additive noise – corresponding to the bad points added by the adversary. The approach of [DKK+16] does not do anything to address subtractive noise, but shows that this type of noise can incur “small” error, e.g., at most for the case of unknown mean. For additive noise, [DKK+16] uses an iterative spectral algorithm to filter out outliers.
For concreteness, let us consider the case of robustly learning . Intuitively, achieving error in the agnostic model is hard for the following reason: the two types of noise can collude so that the first few moments of the corrupted distribution are indistinguishable from those of a Gaussian whose mean vector has distance from the true mean.
To formalize this intuition, for our robust SQ learning lower bound, we construct a distribution on the real line that agrees with on the first moments and is -close in total variation distance to (see Proposition 5.2). We achieve this by taking to be the Gaussian outside its effective support, while in the effective support we add an appropriate degree- univariate polynomial satisfying the appropriate moment conditions. By expressing this polynomial as a linear combination of appropriately scaled Legendre polynomials, we can prove that its and norms within the effective support of are much smaller than (see Lemma 5.6). This result is then used to bound from above the distance of from , which gives our SQ lower bound.
We use a similar technique to prove our SQ lower bound for robust covariance estimation in spectral norm. Specifically, we construct a distribution that agrees with on the first moments and is -close in total variation distance to , for some (see Proposition 5.13). We similarly take to be the Gaussian outside its effective support, while in the effective support we add an appropriate degree- univariate polynomial satisfying the appropriate moment conditions. The analysis proceeds similarly as above.
For robust covariance estimation in spectral norm, our one-dimensional distribution is selected to be , where is a mixture of unit-variance Gaussians with opposite means. By selecting appropriately, we can have match the first moments of , see Theorem 6.1. For robust sparse mean estimation, it suffices to take , where is a unit-variance Gaussian selected so that . An important aspect of both these constructions is that the chi-squared distance needs to be as small as possible. Indeed, since we only match a small number of moments, our bound on crucially affects the accuracy of our SQ queries (Proposition 3.3).
Note that the inner integral was bounded from above by roughly . A careful analysis of the distribution of the angle between two random unit vectors allows us to show that, unless , the chi-squared divergence is close to , and thus that this testing problem is impossible.
We give an SQ algorithm with -error for robustly learning an unknown mean Gaussian, showing that our corresponding SQ lower bound is qualitatively tight. Our algorithm builds on the filter technique of [DKK+16], generalizing it to the more involved setting of higher-order tensors.
As is suggested by our SQ lower bounds, the obstacle to learning the mean robustly, is that there are -noisy Gaussians that are -far in variation distance from a target Gaussian , and yet match in all of their first moments. For our algorithm to circumvent this difficulty, it will need to approximate all of the -order tensors for . Note that this already requires SQ queries.
The first thing we will need to show is that moments suffice, for an appropriate parameter . Because of our lower bound construction, we know that needs to be at least . We show that suffices. Specifically, we prove a one-dimensional moment-matching lemma (Lemma 8.1) establishing the following: If an -noisy one-dimensional Gaussian approximately matches a reference Gaussian in all of its first moments, where (i.e., quadratically larger than our lower bound), then it must be -close to in variation distance. We note that it suffices to prove this statement in the one-dimensional case, as we can just project onto the line between the means.
We now proceed to describe our algorithm: Using the basic filter algorithm from [DKK+16], we start by learning the true mean to error . By translating, we can assume that the mean is this close to . We need to robustly approximate the low-order moments of our target Gaussian . This is complicated by the fact that even a small fraction of errors can have a huge impact on the moments of the distribution. However, any large errors are easily detectable. In particular, if any moment tensor differs substantially from that of the standard Gaussian, it will necessarily imply the presence of errors. In particular, it will allow us to construct a polynomial so that (where is a noisy version of ) is much larger than . If this is the case, then many of our errors, , must have very far from the mean. By standard concentration inequalities, this will allow us to identify these points as almost certainly being errors. This in turn lets us build a filter to clean-up our distribution , making it closer to .
Repeatedly applying filters as necessary, we can reduce to the case where the higher-order moments of are close to the higher-order moments of . This will tell us that, in almost all directions, the first moments of match the corresponding moments of . By our moment-matching lemma, this will imply that the mean of is close to in these directions. We will then only need to approximate the mean of the projection of onto the low-dimensional subspace in which these moments fail to match. This approximation can be done in a brute-force manner (in time exponential in , which is still relatively small), completing the description of the algorithm.
4 Related Work
This work studies learning and testing high-dimensional structured distributions. Distribution learning and testing are two of the most fundamental inference tasks in statistics with a rich history (see, e.g., [NP33, BBBB72, DG85, Sil86, Sco92, DL01, LR05]) that date back to Karl Pearson. The main criteria to evaluate the performance of an estimator are its sample complexity and its computational complexity. Despite intensive investigation for several decades by different communities, the (sample and/or computational) complexity of many learning and testing problems is still not well-understood, even for some surprisingly simple high-dimensional settings. In the past few decades, a long line of work within TCS [KMR+94, Das99, FM99, AK01, VW02, CGG02, MR05, BV08, KMV10, MV10, BS10, DDS12a, DDS12b, CDSS13, DDO+13, CDSS14a, CDSS14b, ADLS17, DDS15, DDKT16, DKS16b, DKS16a] has focused on designing efficient estimators in a variety of settings. We have already mentioned the most relevant references for the specific questions we consider in Section 1.1.
With respect to computational lower bounds for unsupervised estimation problems, the most relevant references are the works [FGR+13, FPV15, KV16] that show SQ lower bounds for the planted clique and related planted-like problems. It should be noted that, beyond the fact that we also use the concept of SQ dimension, our techniques are entirely different than theirs. Prior work by Feldman, O’Donnell, and Servedio [FOS08] implicitly showed an SQ lower bound of for the problem of learning -mixtures of product distributions over . This was obtained by a straightforward reduction from the problem of learning -leaf decision trees over Boolean variables. Our lower bound construction for learning GMMs is entirely different from [FOS08] that relied on the obvious combinatorial structure of the discrete setting.
A related line of work gives statistical-computational tradeoffs for sparse PCA [BR13a, BR13b, MW15, WBS16a], based on various computational hardness assumptions. These results are of similar flavor as our statistical–computational tradeoffs for SQ algorithms (Theorems 1.5 and 1.6). An important difference between these tradeoffs and the super-polynomial SQ lower bounds we prove in this paper (Theorems 1.1, 1.2, and 1.4) is that the aforementioned sparse problems are known to be tractable if we increase the sample size by a quadratic factor beyond the information-theoretic limit. In contrast, our main SQ lower bound results establish a super-polynomial gap between the information-theoretic limit and the computational complexity of any SQ algorithm.
Finally, we remark that in the supervised setting of PAC learning Boolean functions, a number of hardness results are known based on various complexity assumptions, see, e.g., [KKMS08, KS06, FGKP06, KK14, DLS14, Dan16] for the problems of learning halfspaces and learning intersections thereof.
5 Discussion and Future Directions
The main contribution of this paper is a technique that gives essentially tight SQ lower bounds for a number of fundamental high-dimensional learning problems, including learning GMMs and robustly learning a single Gaussian. To the best of our knowledge, these are the first such lower bounds for high-dimensional distribution learning problems in the continuous setting. As a corollary, we provide a rigorous explanation of the observed (super-polynomial) gap between the sample complexity of these problems and the runtime of the best known algorithms.
6 Organization
The structure of this paper is as follows: In Section 2, we introduce basic notation, definitions, and a number of useful facts that will be required throughout the paper. Our SQ lower bounds are established in Sections 3–6. Specifically, in Section 3, we give our generic high-dimensional SQ lower bound construction, assuming the existence of a one-dimensional density satisfying the necessary moment conditions. In Sections 4, 5, and 6, we construct the appropriate one-dimensional densities, thereby establishing our SQ lower bounds. Specifically, Sections 4 and 5 give our super-polynomial SQ lower bounds for the problems of learning GMMs and robustly learning an unknown Gaussian. Section 6 gives our quadratic statistical–computational tradeoffs (for SQ algorithms) for the problems of robust covariance estimation in spectral norm and robust sparse mean estimation. Section 7 gives our (information-theoretic) sample complexity lower bounds for high-dimensional testing. Finally, in Section 8 we present our (SQ) algorithm for robustly learning an unknown mean Gaussian with optimal accuracy, whose runtime qualitatively matches our SQ lower bound from Section 5.
This project evolved over a number of years. We would like to thank Vitaly Feldman for answering numerous questions about the Statistical Query model; Andy Drucker for useful discussions on Question 1.1; Anup B. Rao for asking a question that motivated Theorem 6.1; Weihao Kong and Gregory Valiant for useful discussions on Question 1.4; and Ankur Moitra and Eric Price for feedback on a previous version of this paper.
Definitions and Preliminaries
Our basic object of study is the Gaussian (or Normal) distribution and finite mixtures of Gaussians:
Throughout the paper, we will make extensive use of the pdf of the standard one-dimensional Gaussian , which we will denote by .
2 Formal Problem Definitions
We record here the formal definitions of the problems that we study. Our first problem of interest is learning a mixture of arbitrary high-dimensional Gaussians:
Our next question is the problem of robustly learning a Gaussian in the standard agnostic model:
Our SQ lower bounds apply to two special cases of this problem: when is unknown and , and when and is unknown. For the latter case, our lower bound applies even for learning with respect to the spectral norm (which is weaker than approximation in variation distance).
We now define the problem of robustly testing a Gaussian in Huber’s model. We remind the reader that our tight sample complexity lower bound applies to this weaker model as well.
Finally, our problem of testing GMMs is the following:
3 Basics on Statistical Query Algorithms over Distributions
We begin by recording the necessary definitions of Statistical algorithms for problems over distributions. All the definitions and facts in this section are from [FGR+13]. We start by defining a general search problem over distributions.
For general search problems over a distribution, we define SQ algorithms as algorithms that do not see samples from the distribution but instead have access to an SQ oracle. We consider two types of SQ oracles from the literature.
The first oracle was defined by Kearns [Kea98] and the second was introduced in [FGR+13]. These oracles are known to be polynomially equivalent [FGR+13]. Also note that these oracles can return any value within the given tolerance, and therefore can make adversarial choices.
The main technical tool that allows us to prove unconditional lower bounds on the complexity of SQ algorithms is an appropriate notion of Statistical Query (SQ) dimension. Such a notion was defined in the context of PAC learning of Boolean functions in [BFJ+94], and subsequently generalized to search problems over distributions in [FGR+13]. We will require the simpler definition from Section 3 of that work that relies on pairwise correlations:
We will also need the following definition:
We are now ready to define our notion of dimension:
Our lower bounds proceed by bounding from below the statistical query dimension of the considered distribution learning problems. The corresponding lower bounds on the complexity of SQ algorithms for these problems are a corollary of the following result from [FGR+13]:
Statistical Query Lower Bounds: From One–Dimension to High–Dimensions
All our statistical query lower bounds are shown in two steps: We first construct a one-dimensional density satisfying certain technical conditions, and then use to construct a high-dimensional distribution which is Gaussian in all but one directions. The second step is the same for all the problems that we consider. To formally define it, we require the following construction:
That is, is the product distribution whose orthogonal projection onto the direction of is , and onto the subspace perpendicular to is the standard -dimensional normal distribution.
Suppose that we have constructed a one-dimensional distribution satisfying the following condition:
Note that Condition 3.2-(ii) above implies that the distribution has a probability density function (pdf), which we will denote by . We will henceforth blur the distinction between a distribution and its pdf. The main result of this section is the following:
An intuitive interpretation of the proposition is as follows: If we do not want our SQ algorithm to use a number of queries exponential in , then we would need samples to simulate a single statistical query.
The rest of this section is devoted to the proof of Proposition 3.3. In Section 3.1, we prove a correlation bound which is the main technical ingredient for the proof. In Section 3.2, we show a simple packing for unit vectors over the sphere and put the pieces together to complete the proof.
The main technical result of this section is the following:
Note that we may assume that is finite, otherwise the lemma statement is trivial. Hence, we can henceforth assume that Condition 3.2 is satisfied. In particular the distributions , and all have probability density functions.
To prove Lemma 3.4 we proceed as follows: We start by bounding the -divergence between the one-dimensional projection of onto and . As well as being a critical component towards the proof of Lemma 3.4, this fact can be used to show that random projections of are close to with high probability. Specifically, we show:
Let be the distribution of , for . Then, we have that
Let be the angle between and . Let be orthogonal coordinates for the plane spanned by and , with the -axis in the direction. Note that is a product of a distribution on this plane and a standard Gaussian perpendicular to it. On this plane, is a product of and . Thus, we have that
so that . We will show that we can expand as a linear combination of eigenfunctions of .
Using the orthogonality of we can extract these coefficients, since
Since agrees with the first moments of the standard Gaussian, for , we have that
This implies that and . Thus, we have
Now we consider the effect of on this orthogonal family. From the definition of , we have
We will use the well-known fact that is an eigenfunction of :
We have that:
For completeness, we include a proof in Appendix D.
We can now use these eigenfunctions and eigenvalues with Equation (5) to get an expression for :
which can be used to express its -divergence:
where the last line uses (6). Recalling that and , this completes the proof. ∎
We first show that the correlation between the high-dimensional densities and needed for Lemma 3.4 can be reduced to a one-dimensional correlation. Just as in the proof of Lemma 3.5, let and let be coordinates for the plane spanned by and with the -axis in the direction. Each of and is a product of a distribution on this plane and a standard Gaussian perpendicular to it. On this plane, they are both products of and with different rotations applied. Thus, we have that
Now we can bound from above this correlation in terms of the -divergences of both distributions from , one of which we can bound using Lemma 3.5:
where the first line follows by triangle inequality, the second inequality is Cauchy-Schwarz, and the last line uses Lemma 3.5. The proof of Lemma 3.4 is now complete. ∎
2 Proof of Proposition 3.3
If , then . We thus have that, for
is correlated with respect to .
oracle to solve From our assumption that , it follows that , and therefore . Hence, the total number of required queries is at least . This completes the proof. ∎
SQ Lower Bound for Learning Gaussian Mixtures
The main result of this section is the following:
Remark. We remark that the well-conditioned assumption in Theorem 4.1 (i.e., that the distances between the means and the largest and smallest eigenvalues of any covariance matrix are bounded) guarantees that an SQ algorithm with a bounded number of SQ queries is possible.
The proof of Theorem 4.1 follows by an application of the framework developed in Section 3 and the following proposition:
agrees with on the first moments.
Each Gaussian component has variance and mean of magnitude .
We have .
Given Proposition 4.2, the proof of Theorem 4.1 follows easily.
It remains to show that is a mixture of Gaussians that satisfies the necessary conditions. Note that , when expressed in an appropriate basis, is a product of the mixture of univariate Gaussians and the standard -dimensional normal distribution. Recall that the product of two Gaussians is a Gaussian. If , where (by Proposition 4.2 (ii)), then we have that . We can bound the variation distance between two components by:
by Proposition 4.2 (iii). Also, we have that
There is a discrete distribution on the real line, supported on points, that agrees with on the first moments. All points in the support of have .
This lemma essentially follows from standard techniques for Gaussian quadrature [AS72]. Given a (possibly infinite) interval , a weighting function , and an integer , we can find and for such that
for all polynomials of degree at most . The Gauss-Hermite quadrature is a standard implementation of this general scheme on the interval with . Here, we take the ’s to be the roots of the -th (physicist’s) Hermite polynomial . Then, we have that .
for all polynomials of degree at most .
Note that all the weights are nonnegative by definition. Also note that . We take to be the probability distribution with probability of being , for each . Then we have
It is known (see, e.g., [Sze89]) that all roots of have absolute value , and so all roots of . Hence, all points in the support of have . This completes the proof. ∎
On the other hand, if we want to be finite, we need to have a mixture of Gaussians each with positive variance .
By rescaling the distribution given by Lemma 4.3, we can find a discrete distribution supported on points with absolute value no bigger than that agrees with the first moments of . The rescaled distribution assigns probability mass to the points , for . Let , , and that is independent of . We take to be the distribution of . Then, we have
for all integers . By standard facts about Gaussians, is distributed as . Finally, note that the distribution of is a mixture of Gaussians with weights . ∎
To appropriately set the parameter , we need to consider the high-dimensional construction (Definition 3.1):
We write , for , for the Gaussians that is a mixture of. Fix . By a Chernoff bound, is within the interval , where with probability at least .
We again consider the plane spanned by and . Let be the orthogonal coordinates with in the direction of the -axis. Similarly, let be the orthogonal coordinates with in the direction of the -axis. Let be the angle between and . We have that
Taking , we obtain that . On the other hand,
This gives an upper bound on . We don’t want to be too small, because of the following lemma:
We have that .
Each component , for , satisfies the following:
The following simple lemma helps us enforce the condition that the Gaussian components are well-separated:
We now have all the necessary tools to prove Proposition 4.2. We take for a sufficiently small constant . Combined with Corollary 4.4, this gives condition (ii). For condition (i), note that, by Corollary 4.4, agrees with on the first moments. Since was selected to be smaller than , Lemma 4.7 gives condition (iii). Lemma 4.6 gives condition (iv). Finally, by our choice of and Lemma 4.5, we get condition (v). This completes the proof. ∎
SQ Lower Bounds for Robust Learning of a Gaussian
In this section, we prove our super-polynomial SQ lower bounds for robustly learning a high-dimensional Gaussian. In Section 5.1, we show our lower bound for robustly learning an unknown mean spherical Gaussian. In Section 5.2, we give our lower bound for robustly learning a zero mean unknown covariance Gaussian with respect to the spectral norm.
In this subsection, we use the framework of Section 3 to prove the following theorem:
The theorem will follow from the following proposition:
and agree on the first moments.
Before we prove Proposition 5.2, we show how Theorem 5.1 easily follows from it using the machinery developed in Section 3.
Therefore, for any unit vectors with we have that:
where we used the assumption that is sufficiently large. This completes the proof. ∎
The rest of this section is devoted to the proof of Proposition 5.2. We start by describing the outline of the proof. We then provide a number of intermediate useful lemmas that we subsequently combine to complete the proof.
The proof plan proceeds as follows. For some , we define the one-dimensional distribution to be:
For , we define .
For , we define , where is the degree- polynomial with and
for . (We note that is unique after fixing , and .)
We need to show that we can find appropriate values for the parameters , , and such that the -norm of is at most and that is non-negative. To achieve that, we will express as a linear combination of (appropriately scaled) Legendre polynomials, a family of orthogonal polynomials on . Rather than directly showing that the first moments agree, we will instead want that the expectations of the first scaled Legendre polynomials agree. Bounds on the coefficients of the Legendre polynomials in allow us to obtain bounds on the and norms of on . Choosing , , and appropriately will complete the proof of the proposition.
We start by recording the properties of Legendre polynomials that we will need:
is a degree- polynomial, , and .
for all
As a simple corollary we obtain the following lemma:
for all .
We are now ready to proceed with the formal proof. The main technical result of this section is the following lemma:
We can write , where , for .
Before we give the proof of Lemma 5.5, we deduce two corollaries that will be useful in the proof of Proposition 5.2. First, we can obtain bounds on the and norms of on . As an immediate corollary of Lemma 5.5 and the aforementioned properties of Legendre polynomials, we deduce:
We have that: and , for all
We now bound from above the desired -divergence:
.
We bound the second term from above as follows:
where the last lines uses Lemma 5.5 and Corollary 5.6. Finally, for the third term we have:
where the inequality follows from Corollary 5.6. This completes the proof of Lemma 5.7. ∎
We first note that we can express as a linear combination of scaled Legendre polynomials whose coefficients are explicitly given by integrals:
We can write , where .
It follows from Fact 5.3 (ii) and a change of variables that , for all We can use this to extract the ’s. For , we have
Since the first moments of are fixed, via 10, we obtain:
Since we will apply this with the parameter exponential in and , we will be able to ignore terms. We use Taylor’s theorem to expand up to second order terms:
, for some
By (11) and Fact 5.9, to bound the magnitude of the ’s, it suffices to bound the terms and . This is done in the following two lemmas.
For , we have that .
When is even, using Fact 5.3 (iv), we have that , and so the integral is zero. When is odd, we can rewrite Fact 5.3 (v) in ascending order of terms, by using the change of variables , as
By standard results about the moments of Gaussians, for all , we have that Thus, we can write
Note that this quantity is non-negative. We can bound it from above as follows:
The proof of Lemma 5.10 is now complete. ∎
We separate this integral into the interval and the tails. We can use Fact 5.3 (iii) to bound the integral on , as follows:
For the tails, we need Corollary 5.4(i). For the right tail, , we have
A similar bound holds for the left tail, which completes the proof. ∎
Putting everything together, gives Lemma 5.5. ∎
To prove Proposition 5.2, we need to set appropriately and check the bounds on needed for to satisfy the necessary properties.
Note that unless is sufficiently small and , taking , instead of using our construction, satisfies the proposition. We will take , and so we can assume that .
Recall that is defined to be on and outside of . Firstly, needs to be the pdf of a distribution. Since
for , when , we have that . We also need that is non-negative, i.e., that for all . Note that
using Corollary 5.6. Since , we need . This holds when , since then we have for sufficiently small . Note that this also implies that for all , and for all .
The second of these and Lemma 5.7 imply (iii). For (i), by construction, we have that the first moments agree.
The proof of Proposition 5.2 is now compete. ∎
2 Robust Learning Lower Bound for Unknown Covariance Gaussian
In this subsection, we prove an SQ lower bound for robustly learning the covariance matrix of a high-dimensional Gaussian with known mean. We note that our lower bound applies even for spectral norm approximation. In particular, we show:
The theorem will follow from the following proposition:
and agree on the first moments.
.
As in the previous subsection, Theorem 5.12 follows easily from Proposition 3.3 and Proposition 5.13.
Note that we cannot directly apply Proposition 3.3, since we are not aiming to learn within small total variation distance. Instead, we are interested in a different search problem, that of finding an approximation to the covariance with , where is the covariance of a mean Gaussian within total variation distance. Note that for , we have that . We need to argue that this search problem has at most one solution in , i.e., that for any , the set has , where is as in Lemma 3.7.
For as in Lemma 3.7 with and with larger than a sufficiently large constant, , for all .
Suppose for a contradiction that this set has size at least for some and let be distinct elements. Let and define similarly. Then we have and . By the triangle inequality, we have . However, we also have that . Now we get that , but . We thus obtain
where the last inequality assumes that is at most an appropriately small universal constant. Since , this leads to a contradiction. ∎
Similarly to the previous subsection, we choose to define the univariate distribution to have probability density function given by
where is a sufficiently small multiple of and is the unique degree- polynomial that causes and (the pdf of ) to have the same first moments. Once again, we may write , where . The bulk of our proof will now be in bounding the ’s.
The first thing to note is that since is even, is for odd. For even, we will need to compute this expression using Fact 5.3 (v). In particular, we have that
where in the last step we assume that is less than a sufficiently small multiple of .
It is now clear that is a pseudo-distribution that matches its first moments with . Firstly, in order to check that is a distribution, it is clear that for . For we have that . Since this is smaller than , we have that everywhere.
Finally, we need to bound from above . Note that
It is easy to see that . On the other hand, we have that
Statistical and Computational Tradeoffs
In this section, we prove our SQ lower bounds establishing statistical-computational tradeoffs for two natural robust estimation problems. In Section 6.1, we give a sharp-tradeoff for the problem of robustly estimating the covariance matrix in spectral norm. In Section 6.2, we show such a tradeoff for robust sparse mean estimation.
In this subsection, we establish an SQ lower bound for robust covariance estimation in spectral norm. Our SQ lower bound provides evidence for the existence of a statistical-computational tradeoff for this problem. Roughly speaking, we show that, for any constant , given samples from a corrupted -dimensional Gaussian , any computationally efficient SQ algorithm that approximates within a factor of requires samples. Our lower bound applies even to the weaker Huber contamination model.
We note that the information-theoretic optimum for this problem is known to be samples (and is achievable by an exponential time SQ algorithm). Hence, our lower bound establishes a nearly-quadratic gap in the sample complexity between efficient and inefficient SQ algorithms for this problem. Formally, we show:
Let . We consider the following mixture of Gaussians:
Note that is symmetric about and so, for , we have . The variance of is . That is, agrees with on the first 3 moments. We need a bound on . For this, we use the following three easy facts (see Appendix D for the simple proofs):
For distributions and , we have that .
We have that .
Note that . Fact 6.4 now yields
Note that we cannot directly apply Proposition 3.3, since we are not aiming to learn within small variation distance. Instead, we are interested in a different search problem, that of approximating the covariance of the weight component of to within a factor of . We need to argue that this search problem has at most one solution in , i.e., that for any , the set has , where is as in Lemma 3.7.
For as in Lemma 3.7, for all .
Suppose for a contradiction that for some . Then there are distinct with and . However, we have that . Now , but
Thus, we need , but . This is a contradiction and so . ∎
2 Robust Sparse Mean Estimation
In this subsection, we establish an SQ lower bound for robust sparse mean estimation. Our SQ lower bound gives evidence for the existence of a statistical-computational tradeoff for this problem. Roughly speaking, we show that, for any constant , given samples from a corrupted -dimensional Gaussian , where the mean vector is -sparse, any computationally efficient SQ algorithm that approximates the true mean requires samples. Our lower bound applies even to the weaker Huber contamination model.
We note that the information-theoretic optimum for this problem is known to be (and is achievable by an exponential time SQ algorithm). Hence, our lower bound establishes a nearly-quadratic gap in the sample complexity between efficient and inefficient SQ algorithms. Formally, we show:
In other words the random variable is distributed as the hypergeometric distribution with parameters . By standard tail bounds on the hypergeometric distribution, for , we have
Now if we let be a set of unit vectors drawn independently from , there are distinct pairs of , and by a union bound the probability there exist distinct with is less than . Thus, there exists a set such that all distinct pairs satisfy . This completes the proof. ∎
Before we proceed with the proof of Theorem 6.6, we make a useful observation: By following the proof of Proposition 3.3 using Lemma 6.7 instead of Lemma 3.7, mutatis mutandis, we obtain:
The above proposition can be used for to establish a similar but quantitatively somewhat weaker SQ lower bound. We can make a crucial improvement to this proposition for the specific we use in the proof below.
We select the one-dimensional distribution as follows:
where . Note that has mean , i.e., matches moments of .
We could use Facts 6.2 and 6.3 to obtain . However, this would require the parameter to be equal to to get the required bounds from Proposition 6.8. The issue here is that is much bigger than the variance of , which means that the correlation inequality is far from tight for most and . For our choice of , we prove the following lemma:
Let be the angle between and . As in (3), we will use the expansion . As in (7), we also have the expansion . Thus, we can write
Since is a distribution with mean zero, we have , . We need to take advantage of the fact that for our selected probability density function , the coefficient is much smaller than . We can find the explicitly using (4), which gives that . We have the following well-known fact:
Note that the -th derivative of is . Using Taylor’s theorem, we can expand around to obtain Taking the expectation of extracts the -th term, establishing the fact. ∎
In addition to ,, we can derive the bound . Recalling the special case and summing over , we have
To complete the proof of the lemma, it is sufficient to show that for all . We note that both expressions are and have derivative at . It suffices to show that for . Note that
We now have all the necessary ingredients to complete the proof of Theorem 6.6. For distinct -sparse unit vectors , where is given by Lemma 6.7, we have that
Sample Complexity Lower Bounds for High–Dimensional Testing
In this section, we use our framework to prove information-theoretic lower bounds on the sample complexity of our two high-dimensional testing problems: (i) robustly testing the mean of a single unknown mean identity covariance Gaussian in Huber’s contamination model, and (ii) (non-robustly) testing between a single spherical Gaussian and a mixture of spherical Gaussians.
Both these statements follow from the structural results established in the previous sections using the following proposition:
At a high-level, the proof of the proposition uses the structure of the set of ’s and standard information-theoretic arguments.
Suppose for the sake of contradiction that . Then, we claim that
where the last line follows from Lemma 3.4, since satisfies Condition 3.2 for . We will need the following facts about the Beta function :
For we have that: .
Since a rotation of the sphere moves both and , is invariant under such rotations. Thus, we get the same distribution by fixing , the unit vector in the -direction, and choosing uniformly at random over the sphere. Now we have that . Let denote the surface area of the sphere of radius in dimensions and note that .
For any measurable function ,we have that
We thus have that the pdf of is proportional to . Taking , note that
using Fact 7.2 (i). We thus have that the pdf of is
We rewrite the above sum as , where
Note that . Now consider the ratio . Note that that and using Fact 7.2, we have that . Therefore, it follows that
When , we have for , and therefore
It is worth noting that matching many moments does not seem to help in the setting of the previous proposition, as long as . This may seem to some extent unsurprising, given that samples suffice for some of the learning problems we consider here. On the other hand, we consider it somewhat surprising looking at the proof of Proposition 7.1. Specifically, for general , we would have that
Note that the ratio of one term to the next approximately grows as . For this to be less than , for all , we need . Thus, we need at least samples . This suggests that we should be able to obtain a tighter lower bound if using this technique. We omit the details here, as we are mainly interested in the regime for our applications in this paper.
Using Proposition 7.1, we establish the two main results of this section:
If instead, for any constant , we are promised that , where in case (b), then no algorithm that takes less than samples can distinguish between (a) and (b) with probability at least .
Let be the noise rate. We will take or . In both cases, we select our one-dimensional distribution to be the following:
We will not apply Proposition 7.1 directly but follow its proof using the aforementioned stronger correlation bound. We have:
Now note that the ratio of the -th term to the -th term of the corresponding series is
When , the -th term is and the ratio of the -th to -th term is less than . Therefore, the above sum is less than , which implies that
Following the proof of Proposition 7.1, we conclude that no algorithm satisfying the necessary conditions exists. To complete the proof, note that for , we need at least samples. And for , we need at least samples. ∎
We choose our one-dimensional distribution as
where we set (with hindsight) .
Note that has mean . By Claims 6.2 and 6.3, we have that
SQ Algorithms for Robustly Learning and Testing a Gaussian
The structure of this section is as follows: In Section 8.1, we prove a moment–matching structural result that forms the basis of our algorithms. In Section 8.2, we present our robust testing algorithm, and in Section 8.3 we give our robust learning algorithm.
The main result of this section is the following structural result:
Lemma 8.1 holds when the mean of is at least .
Let be the mean of . We can write
Since by definition, the lemma assumptions imply that and . By (12) we have that , and similarly . Therefore, we get
Note that . As in Corollary 8.8 of [DKK+16], we have that
and thus .
However, the means of and , and have and , and therefore and .
The proof will proceed as follows: Let . We note that has a simple expectation under or , and we can easily get a lower bound on their difference. We will also use the Taylor series for and our moment bounds to derive an upper bound on this difference which contradicts this lower bound.
Therefore, and , and thus
Let be the degree- Taylor polynomial of plus the term . By the Lagrange form of the remainder in Taylor’s theorem, we have that , for some . Since is even, we have that the -th derivative of , . Thus, we get
Our goal will be to show that is substantially larger than , which will contradict the assumption about approximately matching moments. We start by considering versus . We can write
where the last inequality follows from (14). To bound this latter term, we make the following claim:
First, we note that .
Recalling our assumption that , for , we have that . Then, since , we get .
For , since , we have that . Thus, and
and hence . ∎
From (13), i.e., , it follows that satisfies the concentration inequality
We now proceed to bound the subtractive term from above:
On the other hand, recalling that is the degree- Taylor expansion of , we can write , with . Therefore, the difference is the sum over of times the difference in the moments, which by assumption is at most
This contradicts the fact that their difference is at least , and concludes the proof. ∎
2 Robust Testing Algorithm
In this subsection, we give a robust testing algorithm, i.e., an algorithm that distinguishes between an -noisy Gaussian and . This algorithm will form the basis for our robust learning algorithm of the following subsection.
By simulating the statistical queries with samples, we obtain:
Given sample access to , an -noisy version of an -dimensional Gaussian with identity covariance and with be at least a sufficiently large constant multiple of , there is an algorithm that with probability distinguishes between the cases that is the standard normal distribution , and the case that is at least -far from and requires at most samples and running time where
The algorithm is quite simple. Let be a sufficiently large universal constant such that the total variation distance bound in Lemma 8.1 is less than . We assume that .
Let . Let be a sufficiently large constant.
If the difference between any moment of order that we measured and that of is more than , then output “NO”.
The idea is to use Lemma 8.1 with the approximations the moments. However, we have the issue that the STAT oracle can only be used to approximate the expectation of a bounded function. Using the condition allows us to avoid this. But we first need to show that conditioning on it does not affect the moments too much and does not move the distribution far in total variational distance.
Note that the first step of the algorithm will reject if the median of projected onto any coordinate axis is outside of the interval . If this occurs, then . If this step does not reject, then projected onto any coordinate axis is , and so .
For , the difference between any mixed moment of degree at most of and conditioned on , is at most .
Let be distributed as . Let be for a sufficiently large constant . Thus, . Let be . Then, and by standard concentration inequalities, we have that .
By the standard concentration inequality given in Lemma 8.16 below, we have that for all , for some . Thus, we have , for . Let be the indicator function of . Then we have that
where the integral is calculated explicitly below in Claim 8.18. In terms of , we have
Then, for distributed as conditioned on , we have
Applying Lemma 8.6 for , noting that yields that the moments of and are within . Thus, in this case, the approximations of the moments of are within of the moments of .
For the soundness case, we just note that since , the bounds on the moments we need to fail are bigger than the precision of the statistical queries we use to approximate them, and therefore we never output “NO” when .
Now suppose that is an -noisy version of an identity covariance Gaussian . Then is a -noisy version of . We will denote the mean vector of and will assume that . We need to show that the algorithm outputs “NO”.
This in turn means that the difference in the approximation of this moment of and that of is at most . Thus, the testing algorithm outputs “NO”. ∎
3 Robust Learning Algorithm
In this section, we build on the testing algorithm of the previous section to design our robust learning algorithm. Formally, we prove:
By simulating the statistical queries with samples, we obtain:
Given sample access to , an -noisy version of an -dimensional Gaussian , there is an algorithm that with probability outputs with and requires samples and time.
The work [DKK+16] gives algorithms which can compute an approximation with . These algorithms can be expressed as Statistical Query algorithms. However, due to the model of adversary used for robustness in [DKK+16], the algorithms were expressed there in terms of operations on sets of samples that were drawn before the execution of the algorithm. The filtering algorithms work by successively removing samples from this set and then computing expectations of the current set of remaining samples. The samples that are removed are those that satisfy an explicit condition, we say that they are rejected by a filter. We can implement these algorithms as SQ algorithms by replacing expectations of the current set of remaining samples with the conditional expectation of the input distribution, conditioned on all previous filters accepting. This is similar to the filtering algorithm for learning binary Bayesian networks given in [DKS16c]. Even there, we still used samples to compute the threshold for the filter. We note that using arguments similar to those we use for the algorithm below, all theses algorithms can be expressed as SQ algorithms. In particular, this is the case for Algorithm Filter-Gaussian-Unknown-Mean, which we will use as a black box pre-processing step to approximate the mean within .
Instead of dealing with moments, i.e., the expectations of monomials, directly, we will consider expectations of Hermite polynomials, which have a simpler form for normal distributions.
.
We are now ready to describe our learning algorithm.
Let .
Compute an approximation with by iterating Algorithm Filter-Gaussian-Unknown-Mean from [DKK+16]. We change the origin so that .
Let be the filter that accepts when .
For , let be the rank- tensor with entry given by times the result of asking an SQ oracle for conditioned on accepting to within precision .
While for some ,
Let be the least such that .
Let . Let For each positive integer , approximate
for a sufficiently large constant . Let be the filter that accepts when .
Recalculate , for all , where all expectations are conditioned and the filters from all previous iterations.
Let be the span of .
Let be a set of unit vectors of size such that for any unit vector , there is a with .
For each , compute the median of , for , to within using bisection and statistical queries to approximate the for . (We don’t need to condition on any filters here).
Find a feasible point of the LP with for all
Note that we can approximate conditional expectations easily as a ratio of expectations approximated by two SQ queries. Since, as we will show, our filters only throw away at most an fraction of points, we will not need to increase the precision beyond a constant factor to do this.
We need to show the following for the filter step of our algorithm:
The loop in Step 5 takes iterations and all filters together accept with probability at least .
We now proceed with the proof. By standard concentration bounds, accepts with probability . Let be the event that and all filters from previous iterations accept. We assume inductively that , and need to show that the same holds if we include the filter produced in the current iteration.
We will need properties of the polynomials for the analysis. In particular, we show the following:
If is a rank- tensor with , for a distribution , then .
We can recover from using .
If is an orthogonal matrix, then for a symmetric rank- tensor with .
Now, by orthogonality of with distinct , we have that, for , it holds:
For (iii), note that with , has only one monomial of degree , which is . Thus, given , there is only one with and , which is and has
Since and are both multivariate polynomials of degree , that these derivatives agree means that the coefficients of all monomials of degree- agree. We thus have , where is a polynomial of degree at most . Since is a linear combination of Hermite polynomials of degree , which are orthogonal to all polynomials of degree smaller than , we have , and so
Since , we must have , and thus
For (v), let be an orthogonal matrix that gives a rotation mapping to , and be the rank- tensor with entry and every other entry . Then, we can rewrite
Thus we have , the tensor with entries , and so
We write or for the rank- tensor with entries , where is distributed according to or respectively. We know that .
When , we have .
The assumption on the SQ errors imply that the corresponding entries of and are within . It follows that
and .
We need to take these expectations under instead of . Consider a rotation given by an orthogonal matrix that maps to . By Lemma 8.13 (i), there is a symmetric rank- tensor with such that . Now we have that
Note that there is only one index such that is zero in all except the first coordinate, and so we have
By standard results, we have that , and so by Taylor’s theorem we have . Thus,
When , if , then (since ). For , we have:
Putting these together, for with , we have
The sum of squares of coefficients of all in is , and so we have that . Finally, recall that , and so this is , as required. ∎
We know that the LHS is and that the first term on the RHS is smaller. Therefore, one of the last two terms is small. Since , we will use standard concentration inequalities to show that is . If we cannot find a filter, then must satisfy similar concentration inequalities, which would imply that is . Since some term on the RHS must be bigger than this, we can find a filter.
For , if is a degree- polynomial with , we have that
We have that .
Note that . First, we change variables to to obtain
Let . We have the following sequence of inequalities:
where the last line follows from . Then, by an application of the Cauchy-Schwarz inequality, we have that
If , for all integers , then
Since includes the filter , we have that the support of and the support of includes only with :
When , then .
Note that . Using the explicit formula for the coefficient , we can show that for , with , the is dominated by its leading coefficient:
Since and has entries, the -norm of the entries is at most . Thus, we have that ∎
Similarly to the proof of Lemma 8.17, we obtain:
Then, by the Cauchy-Schwarz inequality, we conclude that
There is an integer such that
We can now prove the following crucial lemma:
By Corollary 8.21, such a exists, and therefore our algorithm will find one after enumerating possibilities. ∎
Let be the event that the new filter accepts. In the next iterations, we will use instead of . We need to show that the parameters , and improve in such a way that we only need a bounded number of iterations:
We can write , where and have disjoint supports and . The probability that the filter rejects is at most .
This proof is very similar to that of Claim 26 from [DKS16c]. Let be the event that the filter rejects, i.e., that . We have that . On the other hand, by the concentration inequality, . Thus, we have that
However, the defining relation between and , and yields for the event that
and , we must have
Note that the penultimate inequality also gives that
Proposition 8.12 now follows using induction on the iterations.
3.2 Completing the Proof of Correctness
After leaving the filter loop, for all , we have that . has the same Frobenius norm, and thus the -norm of its singular values, when considered as a matrix. Thus, there are at most singular values bigger than . So, we have that , and so . ∎
Let be the projection of onto the subspace . Now we can show using our moment matching lemma that it suffices to approximate .
We have that .
On the other hand, we have , for . For , , which has expectation under both and . We want to consider the difference in the expectations of , for . We can write as a linear combination of Hermite polynomials, . Using the orthonormality of these polynomials, we have that . On the other hand, by standard results, . Thus, we have:
Note that for , . Thus, there is a constant such that this is smaller than , for all . Now we can apply Lemma 8.1 with and obtain that . We need to set to be a sufficiently high multiple of to make this work. ∎
It remains to analyze the rest of the algorithm and show that it produces is close to .
We can construct a set of unit vectors of size such that for any unit vector , there is a with , in time .
Firstly, we note that in order to approximate , it is sufficient to find an with :
To show that we can find such a point by bisection, we need to show that there is an interval of such points of reasonable length where we are looking for them:
for all , we have that ,
and
We use bisection to find a point where our SQ approximation to is within of . If we find such a point, it has , by Lemma 8.27. Lemma 8.28 yields that there is an interval of length containing such points in the interval . Indeed, if our test point has , then and if , then . Thus, remains a subinterval of the interval we are considering. ∎
We now have that is a feasible point of the LP considered in Step 11. The following lemma completes the proof:
Any feasible point of the LP considered in Step 11, has .
Consider the vector . Note that is in , since are. Since is a unit vector in , there is a with . Since is a solution to the LP, . Thus, we have that
Therefore, , as required. ∎
Since the LP has a feasible point, we can find such a point that has . By the previous lemma, we have that . Thus, the algorithm is correct. All statistical queries are of the claimed precision. We need to get bounds on the running time and number of statistical queries.
We thus have that the total time and statistical queries are both at most
References
Appendix
Appendix A Sample Complexity Upper Bound for Learning GMMs
In this section, we show that learning a -mixture of -dimensional Gaussians to variation distance error is easy information theoretically. In particular, we have:
Note that the algorithm given in Theorem A.1 will not be computationally efficient.
The basic idea of Theorem A.1 will be to make many guesses as to the mixture, at least one of which is close, and then run a tournament to find the true answer. We approximate the mixture by first guessing approximations to the weights and then approximating each individual Gaussian. If we had polynomially many samples from a single part of the mixture, it would be easy to learn:
Note that we can easily improve the success probability in Lemma A.3 to at the cost of multiplying the sample complexity by . In particular, we have:
Unfortunately, we cannot simply run this algorithm for each component in our mixture, since we do not know which samples come from which component. However, if we manage to correctly guess where each sample comes from this will not be an issue.
If our algorithm is given samples, it will return a for each function . Intuitively, encodes our guess as to which sample came from which component of the mixture. Note that there are only many such ’s.
The algorithm is quite simple. Let be our samples, and let . Letting be the algorithm from Corollary A.3 with taken to be , we let
We claim that at least one of these works with probability .
Firstly, note that by standard concentration bounds, we have that , for all , with probability at least .
Theorem A.1 now follows immediately form a standard tournament argument (see, e.g., [DL01, DDS12b, DDS15]).
Appendix B Sample Complexity Upper Bound for Parameter Estimation of Separated GMMs
Next we consider the more complicated task of parameter estimation. In particular, given samples from a distribution , where each is a weighted Gaussian, we would like to learn a distribution that is not only close to but that can be written as with small for all . Now, in general, this task will require number of samples exponential in , simply because there are pairs of mixtures that are -close in variation distance and yet -far in terms of their individual components. However, we will show that if the components are separated, this cannot be the case and thus learning the distribution in variation distance will be sufficient.
We begin by producing a proxy for the overlap between distributions. In particular, for pseudo-distributions and , we define
Notice that if and are true distributions, this is related to the Hellinger distance by . We also note the relationship to the overlap:
If and are pseudo-distributions with norm at most , then
On the one hand, there is an easy upper bound
Ideally we would like to show that is nearly a metric for Gaussians. Namely that . This would imply that could not have large overlap with more than one , since if and were both large, then would be small and therefore, would be small. This would contradict our assumption that and have small overlap. Unfortunately, this is not true. In one dimension, a very wide Gaussian may have non-trivial overlap with two narrow Gaussians with widely separated means, neither of which overlaps the other substantially. We will need to develop techniques to deal with this circumstance.
To do this, we introduce an intermediate notation. If are weighted Gaussians, we define
This is useful because it does satisfy an approximate triangle inequality.
For weighted Gaussians, we have that
Before we prove this, we will first need to find an approximation to .
If and are weighted Gaussians with covariance matrices and respectively, then
To see this note that when for small values of , the left hand side above is
On the other hand, when , this is asymptotic to , and when , it is similarly asymptotic to . Finally, since it is easily verified that is never unless , this proves the claim, from which our lemma follows easily. ∎
We will also need the following fact about eigenvalues of a product of matrices:
Let and be symmetric matrices with eigenvalues and , respectively. Let be the sorting of the and together. Let be a matrix with . Then, the largest eigenvalue of is at most .
We need to show that there is an -dimensional subspace so that for we have that Suppose that contains of the and of the . Let be the subspace of vectors so that is perpendicular to the top eigenvectors of and so that is perpendicular to the top eigenvalues of . Then
We are now ready to prove Proposition B.3.
Let have covariance matrices respectively. Let , and . Let the eigenvalues of be . Let We have by Lemma B.4 that
On the other hand, Lemma B.5 says that is at most the square of the largest of the and . Therefore,
Similarly, by considering the inverses of these matrices, we find that
In addition to this, we need to know what else contributes to . We define
Letting achieve the minimum value of , this is
Noting that the term at the end is simply completes the proof. ∎
We need one further proposition from which Theorem B.1 will follow easily.
Under the assumptions of Theorem B.1, for each there exists at most one so that .
To prove this, we will need one further lemma:
If , with and the covariance matrices of the corresponding Gaussians, then for a sufficiently large constant (independent of ) .
Suppose for sake of contradiction that this is not the case. By making a change of variables, we can assume that . This means that has some eigenvector with eigenvalue less than . Let be translated by in the direction closer to the mean of . We have that
Therefore, On the other hand,
This means that
We are now prepared to prove Proposition B.7.
For each that has overlap more than with some , let be that . For other , define arbitrarily subject to being a permutation.
Note that for any . Also note that
Therefore . It is also at most . On the other hand . This completes the proof. ∎
Appendix C Testing the Mean of a High-Dimensional Gaussian
There exists an algorithm that given and samples from an -dimensional Gaussian distinguishes between the cases
The tester is fairly simple. Let be the sample, and let
The algorithm returns “YES” if and “NO” otherwise.
To show correctness, note that is distributed as . If , then has mean and variance , and so it is less than with probability at least , assuming that is a sufficiently large multiple of . On the other hand, if , we note that has mean and variance . Thus, if , the algorithm rejects with probability . Again, this happens if and is a sufficiently large multiple of . This completes the proof. ∎
We also note that this tester can be implemented in the SQ model simply by verifying that each coordinate-wise median has absolute value less than , which can be verified by showing that .
We also show that the tester above is sample-optimal, up to a constant factor:
There is no algorithm that given samples from an -dimensional Gaussian distinguishes between the cases
Suppose for sake of contradiction that such an algorithm does exist. Consider the following scenario: Let be taken from the distribution . Note that with probability at least . Let be independent samples taken from . And let be independent samples from . Assuming that our algorithm exists, it can distinguish between a sample from and a sample from with probability better than . This means that these distributions must have constant variational distance. However, note that the vector is simply a standard -dimensional Gaussian. The vector on the other hand is an -dimensional Gaussian with mean and with
By standard results, has constant variation distance from if and only if . Taking to be the covariance matrix for the ’s, we have that
This implies that the distribution on ’s is close, in total variation distance, to the distribution on ’s, and gives a contradiction. ∎
Appendix D Omitted Proofs
The are monic polynomials: the lead term is with coefficient . Thus, all the degree- terms of are given by
It follows that the degree- terms of the LHS and RHS of the lemma agree. Therefore, we have
for some polynomial of degree at most . We need to show that is identically zero. To show this we consider , for . Since the Gaussian is unaltered by rotations, by a change of coordinates we have that:
However, pairs of distinct are orthogonal to each other and they are all orthogonal to the lower degree polynomial . Thus, we have
We must therefore have that . Since the Gaussian has positive pdf everywhere, this implies that is identically zero. ∎
since . This completes the proof. ∎
D.2 Proof of Lemma 3.7
We apply Lemma D.2 with . If , the result is trivial, so we may assume that . Then we have that Lemma D.2 now gives that
Note that if , it follows that . ∎
Using Corollary D.3 for , and a union bound over all pairs of distinct vectors in , the probability that there exist such that is less than
Therefore, the set will satisfy the statement of Lemma 3.7 with positive probability, as desired. ∎