On Learning Mixtures of Well-Separated Gaussians
Oded Regev, Aravindan Vijayaraghavan
Introduction
The goal is to estimate the parameters up to required accuracy in time and number of samples that is polynomial in .
Our next result shows that the separation of is tight – this separation suffices to learn the parameters of the mixture with polynomial samples. We state the theorem for the special case of uniform mixtures of spherical Gaussians. (See Theorem 5.1 for the formal statement.)
Our next result shows that in constant dimensions, one can obtain a computationally efficient algorithm. In fact, in such low dimensions a separation of order suffices.
The core technical portion of Theorem 1.3 and Theorem 1.4 is a new iterative algorithm, which is the main algorithmic contribution of the paper. This algorithm takes coarse estimates of the means, and iteratively refines them to get arbitrarily good accuracy . We now present an informal statement of the guarantees of the iterative algorithm.
The above theorem also holds when the weights and variances are unequal. See Theorem 4.1 for a formal statement. Note that in the above result, the desired accuracy can be arbitrarily small compared to , and the separation required does not depend on . To prove the polynomial identifiability results (Theorems 1.3 and 1.4), we first find coarse estimates of the means that serve as initializers to this iterative algorithm, which then recovers the means up to arbitrarily fine accuracy independent of the separation.
The algorithm works by solving a system of non-linear equations that is obtained by estimating simple statistics (e.g., means) of the distribution restricted to certain carefully chosen regions. We prove that the system of non-linear equations satisfies a notion of “diagonal dominance” that allows us to leverage iterative algorithms like Newton’s method and achieve rapid (quadratic) convergence.
Given a mixture of spherical Gaussians with equal weights and variances, and with separation
Our iterative algorithm shows that to resolve this open question affirmatively, it is enough to find initializers that are reasonably close to the true parameters. In fact, a simple amplification argument shows that initializers that are close to the true means will suffice for this approach.
Our iterative algorithm is reminiscent of some commonly used iterative heuristics, such as Lloyd’s Algorithm and especially Expectation Maximization (EM). While these iterative methods are the practitioners’ method-of-choice for learning probabilistic models, they have been notoriously hard to analyze. We believe that the techniques developed here may also be useful to prove guarantees for these heuristics.
2 Prior Work and Comparison of Results
Gaussian mixture models are among the most widely used probabilistic models in statistical inference . Algorithmic results fall into two broad classes — separation-based results, and moment-based methods that do not assume explicit geometric separation.
The body of work that is most relevant to this paper assumes that there is some minimum separation between the means of the components in the mixture. The first polynomial time algorithmic guarantees for mixtures of Gaussians were given by Dasgupta , who showed how to learn mixtures of spherical Gaussians when the separation is of the order of . This was later improved by a series of works for both spherical Gaussians and general Gaussians. The algorithm of Vempala and Wang gives the best known result, and uses PCA along with distance-based clustering to learn mixtures of spherical Gaussians with separation
We note that all these clustering-based algorithms require a separation that either implicitly or explicitly depend on the estimation accuracy .Such a dependency on seems necessary for clustering-based algorithms that cluster every point accurately with high probability. Finally, although not directly related to our work, we note that a similar separation condition was shown to suffice also for non-spherical Gaussians , where separation is measured based on the variance along the direction of the line joining the respective means (as opposed, e.g., to the sum of maximum variances which could be much larger).
Iterative methods like Expectation Maximization (EM) and Lloyd’s algorithm (sometimes called the -means heuristic) are commonly used in practice to learn mixtures of spherical Gaussians but, as mentioned above, are notoriously hard to analyze. Dasgupta and Schulman proved that a variant of the EM algorithm learns mixtures of spherical Gaussians with separation of the order of . Kumar and Kannan and subsequent work showed that the spectral clustering heuristic (i.e., PCA followed by Lloyd’s algorithm) provably recovers the clusters in a rather wide family of distributions which includes non-spherical Gaussians; in the special case of spherical Gaussians, their analysis requires separation of order .
Very recently, the EM algorithm was shown to succeed for mixtures of spherical Gaussians with separation (we note that in this setting with , polynomial time guarantees are also known using other algorithms like the method-of-moments , as we will see in the next paragraph). SDP-based algorithms have also been studied in the context of learning mixtures of spherical Gaussians with a similar separation requirement of . The question of how much separation between the components is necessary was also studied empirically by Srebro et al. , who observed that iterative heuristics successfully learn the parameters under much smaller separation compared to known theoretical bounds.
A related problem in the context of clustering graphs and detecting communities is the problem of learning a stochastic block model or planted partitioning model . Here, a sharp threshold phenomenon involving an analogous separation condition (between intra-cluster probability of edges and inter-cluster edge probability) is known under various settings (see the recent survey by Abbe for details). In fact, the algorithm of Kumar and Kannan give a general separation condition that specializes to separation between the means for mixtures of Gaussians, and separation between the intra-cluster and inter-cluster edge probabilities for the stochastic block model.
3 Overview of Techniques
The sample complexity lower bound proceeds by showing a more general statement: in any large enough collection of uniform mixtures, for all but a small fraction of the mixtures, there is at least one other mixture in the collection that is close in statistical distance (see Theorem 3.2). For our lower bounds, we will just produce a large collection of uniform mixtures of well-separated spherical Gaussians in dimensions, whose pairwise parameter distances are reasonably large. In fact, we can even pick the means of these mixtures randomly in a ball of radius in dimensions; w.h.p. most of these mixtures will need at least samples to identify.
To show the above pigeonhole style statement about large collections of mixtures, we will associate with a uniform mixture having means , the following quantities that we call “mean moments,” and we will use them as a proxy for the actual moments of the distribution:
The mean moments just correspond to the usual moments of a mixture of delta functions centered at . Closeness in the first mean moments (measured in injective tensor norm) implies that the two corresponding distributions are close in statistical distance (see Lemma 3.7 and Lemma 3.8). The key step in the proof uses a careful packing argument to show that for most mixtures in a large enough collection, there is a different mixture in the collection that approximately matches in the first mean moments (see Lemma 3.6).
Instead we will use these statistics to set up a system of non-linear equations where the unknowns are the true parameters and solve for them using the Newton method. We will use the initializers , to define the statistics that give our equations. Hence the unknown parameters satisfy the following equation for each :
Note that in the above equation, the only unknowns or variables are the true means . After scaling the equations, and a suitable change of variables to make the system “dimensionless” we get a non-linear system of equations denoted by . For the above system, represents a solution to the system given by the parameters of . The Newton algorithm uses the iterative update
For the Newton method we need access to the estimates for , and the derivative matrix (the Jacobian) evaluated at . The derivative of the equation w.r.t. corresponds to
where represents the p.d.f. at a point due to a spherical Gaussian with mean at and covariance in each direction. Unlike usual applications of the Newton method, we do not have closed form expressions for (the Jacobian), due to our definition of the set . However, we will instead be able to estimate the Jacobian at by calculating the above expression (RHS) by considering a Gaussian with mean and variance . The Newton method can be shown to be robust to errors in (see Theorem B.2).
The main technical effort for proving convergence is in showing that the inverse evaluated at any point in the neighborhood around is well-conditioned. We will show the convergence of the Newton method by showing “diagonal dominance” properties of the matrix . This uses the separation between the means of the components, and the properties of the region that we have defined. For separation, this uses standard facts about Gaussian concentration to argue that each of the off-diagonal blocks (in the th row of ) is at most factor of the corresponding diagonal term. With separation in dimensions, we can not hope to get such a uniform bound on all the off-diagonal blocks (a single off-diagonal block can itself be times the corresponding diagonal entry). We will instead use careful packing arguments to show that the required diagonal dominance condition (see Lemma 4.13 for a statement).
Hence, the initializers are used to both define the regions , and as initialization for the Newton method. Using this diagonal dominance in conjunction with initializers (Theorem 5.2) and the (robust) guarantees of the Newton method (Theorem B.2) gives rapid convergence to the true parameters.
Preliminaries
A standard mixture is just a uniform mixture of spherical Gaussians with all covariances . Before we proceed, we define the following notion of parameter “distance” between mixtures of Gaussians:
For standard mixtures, the definition simplifies to
Note that this definition is invariant to scaling the variances (for convenience). We note that parameter distance is not a metric, but it is just a convenient way of measure closeness of parameters between two distributions.
The distance between two individual Gaussian components can also be measured in terms of the total variation distance between the components . For instance, in the case of standard spherical Gaussians, a parameter distance of corresponds to a total variation distance of .
Also, for a given mixture of spherical gaussians , we will denote , and .
In the above notation the bound can be thought of as a sufficiently large polynomial in , since we are aiming for bounds that are polynomial in . Since we can always scale the points by an arbitrary factor without affecting the performance of the algorithm, we can think of as the (multiplicative) range of values taken by the parameters . Since we want separation bounds independent of , we will denote individual aspect ratios for variances and weights given by , and .
1 Notation and Preliminaries about Newton’s method
Consider a system of non-linear equations in variables :
In particular, for Newton’s method to work, will guarantee convergence. A statement of the robust convergence of Newton’s method in the presence of estimates is given in Theorem B.2 and Corollary B.4.
Consider any square matrix of size satisfying
Then,
Lower Bounds with O(logk)𝑂𝑘O(\sqrt{\log k}) Separation
Here we show a sample complexity lower bound for learning standard mixtures of spherical Gaussians even when the separation is of the order of . In fact, this lower bound will also hold for a random mixture of Gaussians in dimensions (for sufficiently small constant ) with high probability.In particular, this rules out polynomial-time smoothed analysis guarantees of the kind shown for in .
even though their parameter distance is at least . Moreover, we can take and .
The key to the proof of Theorem 3.1 is the following pigeonhole statement, which can be viewed as a bound on the covering number (or equivalently, the metric entropy) of the set of Gaussian mixtures.
Suppose we are given a collection of standard mixtures of spherical Gaussians in dimensions that are bounded, i.e., for all . There are universal constants , such that for any , if
Notice that plays no role in the statement above. In fact, the proof also holds for mixtures with arbitrary number of components and arbitrary weights.
For any fixed , the probability that is at most , because the volume of a ball of radius is times that of a ball of radius . The claim now follows by a union bound. ∎
Set , and consider the following probabilistic procedure. We first let be a set of points chosen independently and uniformly from the ball of radius . We then output a mixture chosen uniformly from the collection , defined as the collection of all standard mixtures of spherical Gaussians obtained by selecting distinct means from . Observe that the output of this procedure is distributed according to . Our goal is therefore to prove that with probability at least , the output of the procedure satisfies the property in the theorem.
First, by Claim 3.4, with probability at least , any two points in are at distance at least . It follows that in this case, the means in any mixture in are at least apart, and also that any two distinct mixtures in have a parameter distance of at least since they must differ in at least one of the means. Note that for our choice of .
To complete the proof, we notice that by our choice of parameters, and denoting ,
The last inequality follows since for our choice of , and is large enough with , so that
Hence applying Theorem 3.2 to , for at least fraction of the mixtures in , there is another mixture in that is close in total variation distance. We conclude that with probability at least , a random mixture in satisfies all the required properties, as desired. ∎
2 Proof of Theorem 3.2
It will be convenient to represent the p.d.f. of the standard mixture of spherical Gaussians with means as a convolution of a standard mean zero Gaussian with a sum of delta functions centered at ,
Instead of considering the moments of the mixture of Gaussians, we will consider moments of just the corresponding mixture of delta functions at the means. We will call them “mean moments,” and we will use them as a proxy for the actual moments of the distribution.
Next, Lemma 3.7 shows that the two distributions that are close in the first mean moments are also close in the distance. This translates to small statistical distance between the two distributions using Lemma 3.8.
We will use the following standard packing claim.
Let be the unit ball of the norm . Then by assumption, the sets for are disjoint. But since they are all contained in ,
The “in particular” part follows by taking a maximal set of -separated points. ∎
Notice that the image of lies in a direct sum of symmetric subspaces whose dimension is (i.e., the number of ways of distributing identical balls into different bins). Since ,
We define a norm on these vectors in terms of the maximum injective norm of the mean moments,
Since each of our means has length at most , we have that
Using Claim 3.5, if where
we have that for at least fraction of the Gaussian mixtures in , there is another mixture from which is close, as required. ∎
We first show that if the moments are very close, the Fourier transform of the two distributions is very close. This translates to a bound on the distance by Parseval’s identity.
Since the Fourier transform of a convolution is the product of the Fourier transforms, we have
Now we upper bound for .
We claim that the injective norm above is at most for all . For , this follows immediately from the assumption in (11). For , we use the fact that the means are bounded,
where the last line follows since and . Hence, for , we have
since . Finally, using this bound along with (15) we have
Hence, by Parseval’s identity, the lemma follows.
The means are all length at most , and . Let us define as before
Since is a Euclidean ball of radius , by Stirling’s approximation (Fact A.6), the volume is
where the third inequality follows by raising both sides to the power and using the fact that for , . This concludes the proof.
The proof follows by a straightforward combination of Lemmas 3.6, 3.7, and 3.8. As stated earlier, we will choose , and constants , . First, by Lemma 3.6 we have that for at least fraction of the Gaussian mixtures in , there is another mixture in the collection whose first mean moments differ by at most in symmetric injective tensor norm. To use Lemma 3.7 with , we see that
as required, where for the first inequality we used that for , and the second inequality uses . We complete the proof by applying Lemma 3.7 (with in Lemma 3.7 taking the value ) and Lemma 3.8. ∎
Iterative Algorithms for min{Ω(logk),d}Ω𝑘𝑑\min\{\Omega(\sqrt{\log k}),\sqrt{d}\} Separation
We will assume that we are given initializers that are inverse polynomially close in parameter distance. These initializers will be used to set up an “approximate” system of non-linear equations that has sufficient “diagonal dominance” properties, and then use the Newton method with the same initializers to solve it. In what follows, and denote the aspect ratio for the weights and variances respectively as defined in Section 2.
There exist universal constants such that the following holds. Suppose we are given samples from a mixture of spherical Gaussians having parameters , where the weights and variances are known, satisfying
and suppose we are given initializers satisfying
For standard mixtures, (16) corresponds to a separation of order .
Firstly, we will assume without loss of generality that , since otherwise we can use a PCA-based dimension-reduction result due to Vempala and Wang .
The above theorem is essentially Corollary 3 in . In , however, they take the subspace spanned by the top singular vectors, most likely due to an artifact of their analysis. We give a different self-contained proof in Appendix C. We will abuse notation, and use to refer to the means in the dimension reduced space. Note that after dimension reduction, the means are still well-separated for i.e.,
For each component in , we first define a region around as follows. We will show in Lemmas 4.8 and 4.9 that the total probability mass in from other components is smaller than the probability mass from the component .
where . This is a system of equations in unknowns. Obviously is a solution of the system, and if we could find it we would be able to recover all the means, as desired.
Our algorithm basically just applies Newton’s method to solve (21) with initializers given by for . To recall, Newton’s method uses the iterative update
where is the first derivative matrix (Jacobian) of evaluated at . One issue, however, is that we are not given . Nevertheless, as we will show in Lemma 4.4, we can easily estimate it to within any desired accuracy using a Monte Carlo approach based on the given samples (from the Gaussian mixture corresponding to ). A related issue is that we do not have a closed-form expression for and , but again, we can easily approximate their evaluation at any point and to within any desired accuracy using a Monte Carlo approach (by generating samples from the Gaussian mixture corresponding to ). The algorithm is given below in detail.
Iterative Algorithm for Amplifying Accuracy of Parameter Estimation
Parameters: Set , for some sufficiently large constant , where is a sufficiently small constant, and where is a sufficiently small constant.
Output: Estimates for each component such that .
If , then we just output for each .
Set for each .
(This is the only place the given samples are used)
For to steps do the following:
Obtain using Lemma 4.5 an estimate of up to accuracy (in operator norm).
Output for each .
The proof of the two approximation lemmas below is based on a rather standard Chernoff argument; see Section 4.5.
Suppose samples are generated from a mixture of spherical Gaussians with parameters in dimensions, and . There exists a constant such that for any the following holds for samples: with probability at least , for each the empirical estimate for has error at most i.e.,
where is defined in Definition 4.3.
Suppose we are given the parameters of a mixture of spherical Gaussians in dimensions, with for each , and region is defined as in Definition 4.3. There exists a constant such that for any the following holds for . Given samples generated from spherical Gaussian with mean and variance , we have with probability at least , for each the following empirical estimate for has error at most i.e.,
Furthermore, we have that the estimated second derivative satisfies \big{\lVert}F^{\prime}({\bf x})-\widetilde{F^{\prime}}({\bf x})\big{\rVert}_{\infty\to\infty}\leq\eta.
2 Convergence Analysis using the Newton method
is the set of values of the variables that are close to the true values of the variables given by , and is an appropriately large universal constant given in Theorem 4.1.
The following lemma lower bounds the contribution to region from the th component.
In the notation of Theorem 4.1, for all , we have
The proof of the above lemma follows from concentration bounds for multivariate Gaussians. The following lemma upper bounds the contribution in from the other components.
In the notation of Theorem 4.1, and for a component in , the contribution in from the other components is small, namely, for all
The above lemma is the more technical of the two, and it is crucial in showing diagonal dominance of the Jacobian. The proof of the above lemma is very different for separation of order and – hence we will handle this separately in Sections 4.4.1 and 4.4.2 respectively.
We now show the convergence of Newton algorithm assuming the above two lemmas. Theorem 4.1 follows in a straightforward manner from the guarantees of the Newton algorithm. We mainly need to show that .
We now prove that the function has bounded operator norm using the diagonal dominance properties of .
We will divide the matrix into blocks of size each, and show that the matrix satisfies the required diagonal dominance property. Let us first consider the diagonal blocks i.e., we have from (23) for each
Consider a mixture of Gaussians where the th component has mean and standard deviation . It satisfies the required separation conditions since . Applying Lemma 4.8,
Using a similar calculation, we see that for the off-diagonal blocks ,
Also, . For each
Summing over all , and using the bounds in Lemma 4.9,
Hence using Lemma 2.5 for diagonally dominant matrices, we get from (31) and (32)
We now prove that the function is locally Lipschitz by upper bounding the second derivative operator.
There exists a universal constant such that the derivative is locally -Lipschitz in the neighborhood for .
Hence the second derivatives are non-zero only for diagonal blocks . For each the second derivatives for are given by
Hence, applying Lemma B.1 with in the open set , the lemma follows. ∎
We first note that we have from (17), for each that . We will use the algorithm to find (use the algorithm with ). The proof follows in a straightforward manner from Corollary B.4. Lemma 4.11 shows that is locally -Lipschitz for . Together with Lemma 4.10 we have for our choice of . Also from Lemma 4.4, by using samples (and ), . It is easy to check that . Hence, similarly from Lemma 4.5 as required. Hence, from Corollary B.4, iterations of the Newton’s method suffices. Further, each iteration mainly involves inverting a matrix which is polynomial time in . ∎
3 Bounding Leakage from Own Component: Proof of Lemma 4.8
The first equation (33) follows easily from the rotational invariance of a spherical Gaussian. Suppose , then . Hence
We will now prove (35); the proof of (34) follows the same argument. We first observe that using the rotational invariance, it suffices to consider the span of .
where the last line follows from truncated moments of a normal variable with variance (Lemma A.2). Using the fact that for , the lemma follows. The proof for , and for (34) follows from an identical argument. ∎
To prove (26), we have
Let be the set that do not satisfy the constraint along . Since , we have that the total loss from those is
by applying Lemma 4.12 with the Gaussian , and . Hence, we have
since . The proof of the last equation follows in an identical fashion. From (35) of Lemma 4.12, we have
4 Bounding Leakage from Other Components: Proof of Lemma 4.9
Since our algorithm works when we either have separation of order or separation of order , we have two different proofs for Lemma 4.9 depending on whether or notMore accurately whether , where ..
Let be the unit vector along . We will now show that every point , is far from along the direction .
Since , , and
We will now use Lemma 4.12 for each component with mean zero Gaussian and . We first prove (28); using equation (33) with Gaussian of variance ,
For (29), we use (34) similarly with and variance and as above:
The proof of (30) follows in an identical fashion from (35) for
4.2 Separation of Order d𝑑\sqrt{d}
The proof of Lemma 4.9 uses the following useful lemma that shows that for any point within distance of , the total probability mass from the other Gaussian components is negligible. Note that in the following lemma, can be arbitrary large in terms of .
then for every component and and ,
where and .
We now prove Lemma 4.9 under separation assuming the above lemma.
Our proof will follow by applying Lemma 4.13, and integrating over all . For any point , , and the separation of the means satisfies (37). To prove (25) we get from (38),
To prove (27), we get from (39) that for each and ,
To prove (26), we first note that for each , . Hence, by applying (39) in Lemma 4.13, the following inequality holds:
Hence (26) follows from a similar argument as before. ∎
The proof of Lemma 4.13 proceeds by using a packing-style argument. Roughly speaking, in the uniform case when all the variances are roughly equal, the separation condition can be used to establish an upper bound on the number of other Gaussian means that are at a distance of from a certain mean. We now present the proof for the case when the variances are roughly equal, and this will also be important for the general case.
In the notation of Lemma 4.13, let us denote for convenience, the th component by . Then, the total probability mass at any point s.t. , from components satisfying , and is given by
Furthermore, we have
We can assume without loss of generality that . Suppose . Considering and , the lemma will follow, if we prove the following inequality for any :
Let . From the separation conditions, we have that
the balls are pairwise disjoint, and
the balls are far from the origin i.e, .
We first relate the p.d.f. value to the Gaussian measure of a ball of radius around . The volume of the ball and for every , the separation conditions and triangle inequality imply that . Hence,
By using the disjointness of balls , we get that
where the last line follows since a Gaussian random variable in dimensions with mean and unit variance in each direction has measure at most outside a ball of radius (see Lemma A.4). ∎
We now proceed to the proof of Lemma 4.13.
We may again assume without loss of generality that and (by shifting the origin and scaling). Hence . We will divide the components depending on their standard deviation into buckets where as follows:
Let us first consider the components in the bucket , and suppose we scale so that . As before let . We first note that if , since , a simple calculation shows that . Hence, by applying Lemma 4.14 to with a uniform variance of for all Gaussians, we see that
Consider any bucket . We will scale the points down by so that , and let . Again from Lemma 4.14 we have that
Hence, by summing up over all buckets (using (44) and (46)), the total contribution .
The final equation (39) follows from separation conditions, since , hence for some sufficiently large constant . Hence, by using an identical argument with the furthermore part of Lemma 4.14, it follows.
5 Sampling Errors
Hence, to union bound over all events suffices.
A similar proof also works for the second equation (48). ∎
Further, we can write , where
Finally, we have from upper bound of the error in the individual blocks that
Sample Complexity Upper Bounds with Ω(logk)Ω𝑘\Omega(\sqrt{\log k}) Separation
For sake of exposition, we will restrict our attention to the case when the standard deviations , and weights are known for all . We believe that similar techniques can also see used to handle unknown as well (see Remark 4.6). In what follows corresponds to the aspect ratio of the covariances i.e., .
There exists a universal constant such that suppose we are given samples from a mixture of spherical Gaussians (with known weights and variances) that are -bounded and the means are well-separated i.e.
Such results are commonly referred to as polynomial identifiability or robust identifiability results. We can again assume as in Section 4 that without loss of generality that due to the following dimension-reduction technique using PCA . Theorem 5.1 follows in a straightforward manner by combining the iterative algorithm, with initializers given by the following theorem.
For any constant , suppose we are given samples from a mixture of spherical Gaussians that are -bounded and the means are well-separated i.e.
and both mixtures have minimum weight , then
where \rho_{s}=\max\Big{\{}\frac{\max_{j\in[k]}\sigma^{*}_{j}}{\min_{j\in[k]}\sigma_{j}},\frac{\max_{j\in[k]}\sigma_{j}}{\min_{j\in[k]}\sigma^{*}_{j}}\Big{\}}.
In the above proposition, is a simple upper bound since we will only search for all parameters of magnitude at most . But it can be much smaller if we have a better knowledge of the range of . We note that in very recent independent work, Diakonikolas et al. established a similar statement about mixtures of Gaussians where the components have small overlap (see Appendix B in ). We first see how the above proposition implies Theorem 5.2.
The following simple lemma gives a sample-efficient algorithm to find a distribution from a net of distributions that is close to the given distribution. This tournament-based argument is a commonly used technique in learning distributions.
Suppose is a set of probability distributions over , and we are given samples from a distribution , which is close to some distribution in statistical distance, i.e., . Then there is an algorithm that uses samples from and with probability at least finds a distribution such that .
Let be the set of distributions over . For any let be such that
Use samples to obtain estimates satisfying with probability at least that
Output the first distribution that satisfies
First, notice that by (53) and the assumption that , satisfies the test in (54). We next observe by the definition of in (52) that for any such that both and pass the test, we must have . This implies that the output of the algorithm must be within statistical distance of , as desired. ∎
We now prove Proposition 5.2 assuming the above Proposition 5.3. This follows in a straightforward manner by using the algorithm from Lemma 5.4 where is chosen to be a net over all possible configuration of means, variances and weights. We give the proof below for completeness.
2 Proof of Proposition 5.3
To show Proposition 5.3, we will consider any two mixtures of well-separated Gaussians, and show that the statistical distance is at least inverse polynomial in . This argument becomes particularly tricky when the different components can have different values of e.g., instances where one component of with large is covered by multiple components from with small values.
For each component in , we define the region around , where we hope to show a statistical distance.
The following lemma shows that most of the probability mass from th component around is confined to .
where the last step follows since and . Hence, performing a union bound over the components in completes the proof. ∎
The following lemma shows that there is at most one component of that is close to the component in .
We now proceed to the proof of the main proposition (Proposition 5.3) of this section. We will try to match up components in that are very close to each other in parameter distance and remove them from their respective mixtures. Then we will consider among unmatched components the one with the smallest variance. Suppose were this component, we will show a significant statistical distance in the region around .
The following lemma considers two components, from , and from that have a non-negligible difference in parameters (we use the same index for convenience, since this is without loss of generality). This lemma shows that if , then there is some region where the component has significantly larger probability mass than . We note that it is crucial for our purposes that we obtain non-negligible statistical distance in a region around . Suppose and are the p.d.f.s of the two components (with weights), it is easier to lower bound (e.g. Lemma 38 in ). However, this does not translate to a corresponding lower bound restricted to region i.e., since and do not represent distributions (e.g. ).
For some universal constant , suppose we are given two spherical Gaussian components with parameters and that are -bounded satisfying
Then, there exists a set such that
Before we proceed, we present two lemmas which lower bound the statistical distance when the means of the components differ, or if the means are identical but the variances differ.
In the notation of Lemma 5.9, suppose . Then, there exists a set such that
Without loss of generality we can assume that (by shifting the origin to ). Let us consider two regions
Due to the symmetry of (Definition 5.5), it is easy to see that
For any point , let . Further, . We first note that due to the symmetric definition of . Hence,
which completes the proof, since . ∎
In the notation of Lemma 5.9, suppose , but . Then, there exists a set such that
Without loss of generality, let us assume that (by shifting the origin), and (by scaling). Let and and consider two annular strips and .
First, we note that using standard facts about the distribution,for some appropriately chosen universal constant we have
We will show that there is a significant statistical difference between in either or . Let us assume for contradiction that
Let us consider the range of values that takes in and . We
Let be the dimensional volume of . From (65), we have that
Using a similar argument for we get
Let be the p.d.f. of the two components. From (59) we know that there is some non-negligible separation in the parameters. Hence either the weights, or means, or variances are separated by at least . We will now consider three cases depending on whether there is non-negligible separation in the means, variances or weights (in that order).
Set , where is the constant in Lemma 5.11. Suppose there is some non-negligible separation in the means i.e., . Lemma 5.10 shows that there is a set that has
Otherwise we have that . Let be the p.d.f. of the Gaussian component . From Lemma A.3 we know that . Now, and are p.d.f. of components that have the same mean.
If . From Lemma 5.11 we see that
Finally if , then one can bound the statistical distance over between two components with equal means and variances, but different weights:
where the last line follows from Lemma 5.6. ∎
We now complete the proof of the main proposition of this section, that lower bounds the statistical difference between two mixtures of well-separated Gaussians which differ in their parameters.
Consider among the unmatched components in both and , the one with the smallest variance: let this component be from without loss of generality. From Lemma 5.8, we know that at most one component of satisfies (58). Again, without loss of generality, let be this component of (if it exists). Hence
since . From Lemma 5.7, there is negligible contribution from the rest of the components (using ):
From Lemma 5.9 there is a subset where there is significant statistical distance
Combining the last two equations, we have
for some universal constant , since . ∎
Efficient Algorithms in Low Dimensions
In this section, we give a computationally efficient algorithm that works in dimensions, and learns the mixture of spherical Gaussians even when the separation between centers is . In comparison, previous algorithms need separation of the order of . We prove the following theorem.
There exists universal constants such that the following holds. Suppose we are given samples from a mixture of spherical Gaussians , where the weights and covariances are known, such that and
In the above theorem, when both as in the case of uniform mixtures, this corresponds to a separation of order .
The above theorem follows by applying the guarantees of the iterative algorithm (Theorem 4.1) along with a computationally efficient procedure that finds appropriate initializers. The following theorem shows how to find reasonable initializers for for each of the components.
Note that the above theorem also finds initializers for the weights and variances when they are unknown. Hence, Theorem 6.1 will also apply to the setting with unknown weights and variances if we get similar guarantees for Theorem 4.1 (see Remark 4.6).
We first start with expressions for the first derivative (gradient) and second derivative (Hessian) at a point in terms of the model parameters.
The algorithm will consider a -net of points, and find “approximate local-maxima” of the p.d.f., which are defined as follows.
To show the above proposition, we will show that all approximate local-maxima are close to one of the means (Lemma 6.5 and Lemma 6.6), and there is at least one such approximate local maxima near each mean (Lemma 6.7). Further, since the parameters are separated, this will allow us to pick all approximate local-maxima in a net, cluster them geometrically and pick one such point from each cluster to get good initializers for each mean . These statements will also allow for some slack to tolerate estimation errors.
The following lemma shows that any point that is far from all of the means is not an approximate local maximum (does not satisfy condition (iii) of Def. 6.4).
where where represents the Hessian evaluated at . Hence, such a point is not an approximate local maxima.
Let . Then
Let a random unit standard Gaussian vector drawn from .
Hence, there is a direction . ∎
The following lemma shows that we cannot have approximate local maxima (or more generally, critical points) whose distance from is between . Hence, together with Lemma 6.5, this shows that every approximate local maximum is within from one of the true means.
From (72), the first derivative satisfies
Further, . Using (78) and (79),
where the last inequality follows from (75) and using . ∎
We now proceed to the proof of Lemma 6.7, which shows that any point that is sufficiently close to one of the component means is an approximate local maxima. This shows that in any -net (for sufficiently small ) , there will be an approximate local maxima.
The lemma follows in a straightforward way from (75), (76), (77), since at are dominated by the th component. Firstly by considering just the contribution to the p.d.f. from the th component, the lower bound on follows. Now we bound .
We argue about similarly. Suppose we use to denote the following matrix, and to represent its maximum singular value,
where the last line follows from (75), (77) and since . Further . Substituting in (73), we get
where the last inequality follows from (75). ∎
We now proceed to the algorithm and proof of Proposition 6.3.
From Lemma 6.6 and Lemma 6.5 we have that if
then there exists s.t. . On the other hand, applying Lemma 6.7 with , any point that is within close to satisfy
Our accuracy of estimating is chosen so that we can distinguish between the bounds in (81) and (82). For convenience, since we have sufficiently accurate estimates, we will abuse notation and also use to represent the estimate of the at .
First using our estimates, we consider all points
We can find from our estimates since . From (81), we have that for every , there is some , such that .
Further the means are well separated i.e., . Hence, suppose we define
Note. In fact, the above proposition can also be used to show that has exactly local maxima , such that there is a unique satisfying . This is by using a quantitative version of the inverse function mapping theorem with the function (one can use the Newton method as in Section 4).
Again, in what follows, when it is clear that we have sufficiently accurate estimates, we will abuse notation and also use to represent the estimate of the at .
Let . Let be the constant that is only dependent on given by
We will now generate samples from the mixture of Gaussians and estimate the fraction of samples that are in :We could also integrate the estimated p.d.f. over the set to get this estimate.
From Lemma 4.15, we have small contribution from the other components
Further, the probability mass inside is given by . Hence,
Appendix A Standard Properties of Gaussians
Further, there exists a universal constant such that
Let correspond to the (weighted) probability density functions of the spherical Gaussian components in dimensions with parameters and respectively. Then
Without loss of generality let . The KL divergence between any two multivariate Gaussian distributions with means and covariances respectively is given by
Applying this to we get
which gives the required bound. An identical proof works when . ∎
Let be the Gaussian measure associated with a standard Gaussian with mean and variance in each direction.
Using concentration bounds for the random variables, we have the following bounds for the lengths of vectors picked according to a standard Gaussian in dimensions (see (4.3) in ).
For a standard Gaussian in dimensions (mean and variance in each direction), and any
Similarly, the following lemma shows a simple bound for the truncated moments, when is generated according to .
Assume w.l.o.g that . For , . Hence,
where is distributed as a normal -dimensional r.v. with mean and variance in each direction. ∎
For any , .
Appendix B Newton’s method for solving non-linear equations
Consider a system of non-linear equations in variables :
Newton’s method starts with the initializer , and updates the solution using the iteration:
The following theorem gives robustness guarantees for Newton’s method. It is obtained by using matrix perturbation analysis along with a standard theorem regarding the quadratic convergence of the Newton’s method (see Theorem 5.4.1 in ).
Then if , , then for all , the error after the iterations of (89) satisfies
From perturbation bounds on matrix inverses , if ,
While the above theorem requires that the derivative is locally -Lipschitz, this is a weaker condition than requiring a upper bound on the operator norm of the second derivative . Lemma B.1 shows that it also suffices if for all .
Under the conditions of Theorem B.2, there exists , such that for any given , there is an with
such that after iterations of the Newton’s method, we have
For the given setting of , we have , and . From Theorem B.2, we have that for any ,
Further . By induction, it follows that
Hence, this gives the required guarantee. ∎
Appendix C Dimension Reduction using PCA
Here we give a proof of the assertion that for mixtures of spherical Gaussians, we can assume without loss of generality that .
Let and . Let be the population average, i.e.,
Let be the eigenvalues of sorted in non-increasing order. Since is of rank at most , we have . Let be defined as the smallest index such that . Let be represent the orthogonal projector onto the top- eigenspace of (and hence of too), and . Notice that . Then, using the positive semidefinite inequality , we obtain that
by our choice of . ∎
Acknowledgements
The authors thank Santosh Vempala for suggesting the problem of learning one-dimensional Gaussians, and other helpful discussions. Part of this work was done when the second author was at the Courant Institute and the Simons Collaboration on Algorithms and Geometry.