Uniqueness of Tensor Decompositions with Applications to Polynomial Identifiability
Aditya Bhaskara, Moses Charikar, Aravindan Vijayaraghavan
Introduction
Statisticians have long studied the identifiability of probabilistic models [Tei61, Tei67, TC82], i.e. whether the parameters of a model can be learned from data generated by the model. A central question in unsupervised learning [Gha04] is the efficient computation of such latent model parameters from observed data. A necessary step towards efficient (polynomial time) learning is to show that the parameters are indeed identifiable after observing polynomially many samples. The method of moments approach, pioneered by Pearson [Pea94], infers model parameters from empirical moments such as means, pairwise and other higher order correlations. In general, very high order moments may be needed for this approach to succeed and the unreliability of empirical estimates of these moments leads to exponential sample complexity [MV10, BS10, GLPR12].
An exciting sequence of recent work [MR06, AHK12, HK12, AGH+12] has met with considerable success in cases where the underlying models satisfy a certain non-degeneracy condition (that we will explain later). Informally, the condition requires that the dimension () of the observations is at least as large as the number of possible values () for the hidden variable and that certain model parameters are in general position. The moments are naturally represented by tensors (high dimensional analogs of matrices) and low rank decompositions of such tensors can be used to deduce the parameters of the underlying model. Under suitable non-degeneracy assumptions, the required tensor decompositions can be computed efficiently using an iterative procedure akin to power iteration for computing matrix eigenvalues. One focus of our work is developing tensor decomposition techniques that apply in more general settings where these non-degeneracy assumptions are violated, i.e. is much smaller than . Such settings do arise in many cases of practical interest such as in applications of hidden Markov models to speech recognition and image classification, where the dimension () of the feature space is typically much smaller than the number of values () for the hidden variable. For instance, the (effective) feature space corresponds to just the low-frequency components in the fourier spectrum in speech, or the local neighborhood of a pixel in images. These are typically low dimensional than the number of words or image classes.
In fact, the connection of tensor decompositions to learning probabilistic models has been made earlier in the algebraic statistics literature. In a series of papers, identifiability of several latent variable models was established [AMR09, APRS11, RS12] via low rank decomposition of certain moment tensors. A fundamental result of Kruskal [Kru77] on uniqueness of tensor decompositions plays a crucial role in ensuring that the model parameters are correctly identified by this procedure. Note that this assumes access to an infinite number of samples and does not give any information on the number of samples needed to learn the model parameters within specified error bounds. Kruskal’s theorem by itself is not useful for establishing any such sample complexity bounds since it only guarantees uniqueness for low rank decompositions of the actual moment tensors. It does not say anything about the decomposition of empirical moment tensors which are approximations of these. In order to understand how large a sample size is needed, one would need a robust uniqueness guarantee of this form: if the empirical moment tensor is close to the moment tensor , then a low rank decomposition of is (term by term) close to a low rank decomposition of .
Our main technical contribution in this work is establishing such a robust version of Kruskal’s classic uniqueness theorem for tensor decompositions. This provides a uniqueness guarantee that is directly applicable for establishing polynomial identifiability in a host of applications [AMR09] where Kruskal’s theorem was used to prove identifiability assuming access to exact moment tensors. Since polynomially many samples from the distribution (typically) yield an approximation to these tensors up to error, our robust version of Kruskal’s theorem establishes polynomial identifiability in all such applications. To the best of our knowledge, no such robust version of Kruskal’s theorem is known in the literature. Given the importance of this theorem in the tensor literature, we expect that this robust version will have applications beyond the settings we explore in this work. Our robust uniqueness theorem is accompanied by new algorithms to find low rank tensor decompositions.
A tensor is a multidimensional array – a generalization of vectors and matrices e.g. an tensor is a 3-tensor which is an element in . Low rank tensor decompositions (analogs of SVD for matrices) have been studied intensively as methods for extracting structure in data. These originated in work of Hitchcock [Hit27] and Cattell [Cat44]. They were studied in the 60’s and 70’s in the psychometrics literature and since the 80’s, in the chemometrics literature. The notion of tensor rank also plays an important role in algebraic complexity, and is closely connected to the exponent of matrix multiplication. More recently, tensor decompositions have found applications in signal processing, numerical linear algebra, computer vision, numerical analysis, data mining, graph analysis, neuroscience and more.
Carroll and Chang [CC70] introduced CANDECOMP (canonical decomposition) and independently, Harshman [Har70] introduced PARAFAC (parallel factors). CANDECOMP/PARAFAC is now referred to as CP decomposition [Kie00]. It expresses a tensor as a sum of rank-one tensors where each rank-one tensor is the outer product of column vectors. The rank of a tensor is the minimum number of terms required for such a decomposition. While the definition of tensor rank is analogous to that of matrix rank, their properties are quite different. In fact, computing the rank of a tensor is NP-hard [Hås90] and in fact several other problems associated with low rank approximation of tensors are NP-hard as well [HL13].
For matrices, a fundamental result of Eckart and Young [EY36] shows that the best rank- approximation consists of the leading terms of the SVD. This is not the case for CP decomposition of tensors – the best rank one approximation may not be a factor in the best rank two approximation. In fact, the best rank -approximation may not exist. For example, certain tensors of rank-three can be arbitrarily well approximated by a sequence of rank-two tensors [Knu, Paa00, DSL08, Lan12]. In fact, the set of tensors of a certain size that do not have a best rank- approximation has positive volume [DSL08]. To overcome this problem, the concept of border rank was introduced and studied in the algebraic complexity community. This is defined to be the minimum number of rank-one tensors that are sufficient to approximate the given tensor with arbitrarily small error. In fact, the complexity of matrix multiplication is exactly captured by the border rank of the associated tensor [KB09, Lan12].
An important property of higher order tensors is that (under certain conditions) their minimum rank decompositions are unique upto trivial scaling and permutation. This is in contrast to matrix decompositions. Note that the SVD of a matrix is unique (assuming distinct singular values) only because we impose additional orthogonality constraints.
A classic result of Kruskal [Kru77] gives a sufficient condition for uniqueness of the CP decomposition of a 3-tensor. Suppose that a 3-tensor has the following decomposition:
Let the Kruskal rank or K-rank of matrix (formed by column vectors ) be the maximum value of such that any columns of are linearly independent. and are similarly defined. Kruskal’s result says that a sufficient condition for the uniqueness of the decomposition (1) is
We give a robust version of of Kruskal’s uniqueness theorem for decomposition of 3-tensors. To this end, we need a natural robust analogue of Kruskal rank: we say that if every submatrix of formed by of its columns has minimum singular value at least . A matrix is called bounded if its column vectors have bounded length. Finally, we measure closeness between two tensors or two matrices by the Frobenius norm of their difference. Please see Section 2 for precise definitions.
Our first result shows that any tensor with bounded decomposition that satisfies the robust Kruskal condition has a unique decomposition upto small error (formal statement in Section 2):
Informal Theorem. If any order tensor has a bounded rank decomposition , where the robust satisfy , then any decomposition that is -close to has being individually -close to and respectively when .
A similar theorem (see Theorem 2.7) also holds for higher order tensors and the analogous robust Kruskal rank condition is exactly (3) where corresponds to the robust Kruskal rank of . Note that when all the have the same rank, the robust Kruskal condition becomes weaker for higher order tensors.
Why is it non-trivial to obtain a robust version from existing proofs? Kruskal’s theorem gives conditions under which the components of a tensor decomposition can be identified uniquely. However the proofs that we are aware of strongly use inductive lemmas which prove that subsets of the components of one decomposition have to necessarily belong in any other potential decomposition, and use them to conclude that any two decompositions are in fact the same. When working with representations that are only nearly equal, these inductive arguments typically accumulate errors in each step, thereby requiring the initial error to be exponentially small in order to reach the desired conclusion. Such a result would not be of any value for establishing polynomial sample complexity bounds, since the sample size would need to be exponentially large for the empirical moment tensors to approximate the true moment tensor within such a low error. We overcome this issue by using arguments that are purely combinatorial whenever possible, and carefully avoiding a loss at each step.
Since finding low-rank decomposition of tensors is of great practical interest, it is natural to study algorithms for this problem. While this and many related problems are NP-hard in general [HL13], we give an algorithm which given an approximation to a tensor, finds an approximate low-rank decomposition in time exponential only in the rank (and not the dimensions of the tensor).
Informal Theorem. Given a tensor with a bounded, rank decomposition up to an error , we can find a rank approximation with error in time .
This can be viewed as a tensor analog of low-rank approximation, which is very well-studied for matrices. Note that our algorithm does not require the promised decomposition to have additional well-conditioned properties. If we additionally have such guarantees (for e.g., that the sum of K-rank of the components is high), then Theorem 2.7 implies that the algorithm finds this particular decomposition (up to a small error).
2 Latent Variable Models
We now describe some of the latent variable models that our results are applicable to. We will formally state the identifiability and algorithmic results we obtain for each of these in Section 5.
Multi-view models are very expressive, and capture many well-studied models like Topic Models [AHK12], Hidden Markov Models (HMMs) [MR06, AMR09, AHK12], random graph mixtures [AMR09], and the techniques developed for this class have also been applied to phylogenetic tree models [Cha96, MR06] and certain tree mixtures [AHHK12].
Exchangeable (single) Topic Model
Hidden Markov Models
As mentioned previously, in many important applications of HMMs, is much smaller than . e.g. in image classification, the commonly used SIFT features [Low99] are 128 dimensional, while the number of image classes is much larger, e.g. 256 classes in the Caltech-256 dataset [GHP07] and several thousands in the case of ImageNet [DDS+09]. Similarly, in speech recognition, the features of an audio signal are typically based on mel-frequency cepstral coefficients (MFCCs) or an encoding called perceptual linear prediction (PLP) that incorporates psychoacoustic constraints [GY08], e.g. these are used to obtain a 39 dimensional feature vector in the popular HTK toolkit for building HMMs for speech recognition [YEG+02, WGPY97]. On the other hand, the number of states in these HMMs is much larger. Further, in some other applications, even when the feature vectors lie in a large dimensional space (), the set of relevant features or the effective feature space could be a space of much smaller dimension (), that is unknown to us.
Mixtures of Spherical Gaussians
Informal Theorem. For a multi-view model with topics or distributions, such that each of the parameter matrices has robust K-rank of at least for some constant , we can learn these parameters upto error with high probability using samples. Further, these parameters can be approximately computed in time time.
Polynomial identifiability was not known previously for these models in the settings that we consider. Moreover, except for the well studied setting of mixtures of Gaussians, no provably good algorithms were known (even with running time ).
For mixtures of Gaussians, our results shed more light on polynomial identifiability: the algorithm of [AGH+12, HK13] shows how to identify mixtures of (spherical) Gaussians efficiently when we have Gaussians in dimensions, when the means satisfy certain well-conditioned properties (which in particular requires ). When , Moitra and Valiant [MV10] rule out polynomial identifiability by giving two distributions for which we require exponentially many samples to distinguish one from the other. Thus it is natural to ask what happens in between, when , but is not too small. Our results imply that a mixture of Gaussians of known variance in a dimensional space (any ) can be identified with polynomially many samples.
3 Overview of Techniques
The main technical contribution of our paper is the Robust Uniqueness theorem for Tensor decompositions. Our proof broadly follows the outline of Kruskal’s original proof [Kru77]: It proceeds by establishing a certain Permutation lemma, which gives necessary conditions to conclude that the columns of two matrices are permutations of each other (up to scaling). Given two decompositions and for the same tensor, it is shown that satisfy the conditions of the lemma, and thus are permutations of each other. Finally, it is shown that the three permutations for and (respectively) are identical. To prove the robust uniqueness theorem, the key ingredient is a robust version of the permutation lemma.
The first step in our argument is to prove that if , , are “well-conditioned” (i.e., satisfy the K-rank conditions of the theorem), then any other “bounded” decomposition which is -close is also well-conditioned. This step is crucial to our argument, while an analogous step was not explicitly needed for the proofs of exact uniqueness theorem.Note that the uniqueness theorem, in hindsight, establishes that the other decomposition is also well-conditioned. Besides, this statement is interesting in its own right: it implies, for instance, that there cannot be a smaller rank (bounded) decomposition.
The second and most technical step is to prove the robust permutation lemma. The (robust) Permutation lemma needs to establish that for every column of , there is some column of close to it. Kruskal’s proof [Kru77] roughly uses downward induction to establish the following claim: for every set of K-rank columns of , there are at least as many columns of that are in the span of the chosen vectors. The downward induction infers this by considering intersections of columns close to dimensional spaces.
The natural analogue of this approach would be to consider columns of which are -close to the spans of subsets of columns of . However, the inductive step involves considering combinations and intersections of the different spans that arise, and such arguments do not seem very tolerant to noise. In particular, we lose a factor of in each iteration, i.e., if the statement was true for with error , it will be true for with error . Since steps of downward induction need to be unrolled, we recover a robust permutation lemma only when the error to start with, which is exponentially small since is typically .
We overcome this issue by showing a different, more tricky inductive statement, whereby we do not lose any error in the recursion. This is described in Section 3.3. To carry forth this argument we crucially rely on the fact that is also “well-conditioned” and other observations.
At a high level, our algorithm for finding a rank approximation proceeds by finding a small () dimensional space and then exhaustively searching, which takes time . Note that a naive exhaustive search using an -net in the entire dimensional space would incur a run time of , which is much worse if .
Suppose the best rank approximation to an input tensor has error . We first find an -dimensional space for each of the (three) dimensions, so that there is an -close rank decomposition that comprises vectors only from the corresponding -dimensional spaces. We note that the spaces we find need not correspond to the span of the components in the optimum decomposition, but they suffice to obtain an approximation. Another feature of the algorithm is that it does not assume that the tensor has an approximate “well conditioned” decomposition, and assumes only boundedness.
4 Related Work
While our applications to learning latent variable models are inspired by the works of [AHK12, AGH+12], our results are significantly different, particularly from a tensor decomposition perspective. Anandkumar et al [AGH+12] give algorithms for tensors which have a symmetric orthogonal decomposition, i.e. a decomposition of the form where the vectors are orthogonal. In general, a rank- tensor may not have any orthogonal decomposition. Note that any tensor in dimensions, which has rank can not have an orthogonal decomposition. While this is one source of intractability for general tensor decompositions [HK12], we crucially use such tensors of rank to give polynomial identifiability beyond the non-degenerate range ().
For various latent variable models, in the non-degenerate setting (where the number of mixtures/ topics is larger than the dimension of the space ), Anandkumar et al [AGH+12] use order tensors given by the third moment tensor to identify the hidden parameters. In these tensors, each rank- component corresponds to a hidden parameter, like one of the means. While these parameters may not be orthogonal, a certain “whitening” transform of the space [AHK12, HK12] produces a new instance in which these means are now orthogonal. For this they crucially rely on two assumptions:
The matrix of the means has rank (and well conditioned). This of course needs .
The algorithm has access to the second moment tensorThis is certainly a valid assumption when learning latent variable models. This assumption will not hold in the case of the general problem of tensor decompositions.
Finally, in the context of learning latent variable models, we go beyond the non-degeneracy barrier and get polynomial identifiability even when . One interesting aspect of our results is that we use successively higher -moments to handle larger values of (hidden topics/ mixtures). This smooth tradeoffNote that the moment is sufficient to identify the parameters typically [BS10, MV10, FSO06]. is in contrast to the works of [AHK12, HK12, AGH+12], where they seem to get no additional advantage out of higher moments (larger than ). Further, even when using third moments, [AHK12, HK12, AGH+12] only obtain polynomial identifiability when , whereas we obtain polynomial identifiability till . On the other hand, since we argue about identifiability directly through uniqueness theorems for tensors, it allows us to handle larger values of .
We also mention work on PAC learning of mixtures of product distributions (see e.g. [FOS05, FSO06]) that typically run in time and produce a distribution that is statistically close to the underlying distribution – however they do not recover the actual mixture components themselves.
Some preliminaries and our results
We start with basic notation on tensors which we will use throughout the paper. We then state our results formally in these terms, and place them in context. In the process, we will see some intriguing properties of tensors (relevant to our results) which distinguish them from matrices.
where we use the notation to denote the th column vector of matrix .
Third order tensors (or -tensors) play a central role in understanding properties of tensors in general (as in many other areas of mathematics, the jump in complexity occurs most dramatically when we go from two to three dimensions, in this case from matrices to -tensors). For -tensors, we will often write the decomposition as , where have dimensions respectively.
We will sometimes write this as .
An matrix is said to be -bounded if each of the columns has length at most , for some parameter .
We next define the notion of Kruskal rank, and its robust counterpart.
Let be an matrix. The K-rank (or Kruskal rank) of is the largest for which every set of columns of are linearly independent.
Let be a parameter. The -robust k-rank is denoted by , and is the largest for which every sub-matrix of has .
Note that we only have a lower bound on the (th) smallest singular value of , and not for example the condition number . This is because we will usually deal with matrices that are also -bounded, so such a bound will automatically hold, but our definition makes the notation a little cleaner. We also note that this is somewhat in the spirit of (but much weaker than) the Restricted Isometry Property (RIP) [CT05] from the Compressed Sensing literature.
Another simple linear algebra definition we use is the following
To avoid complications due to scaling, we will assume that our tensors are scaled such that all the are and . So also, our upper bounds on lengths are all assumed to be between and some . This helps simplify the statements of our lemmas.
We will, in many places, encounter statements such as “if , then ”, with polynomials (in this case ) involving the variables . In order to keep track of these, we use the notation . Sometimes, to refer to a polynomial introduced in Lemma 3.11, for instance, we use . Unless specifically mentioned, they will be polynomials in the parameters mentioned above, so we do not mention them each time.
2 Our Results
We are now ready to formally state the results in our work. The first is a robust version of the uniqueness of decomposition for -tensors.
Suppose a rank- tensor is -bounded, with satisfying . Then for every , there exists
for some polynomial such that for any other -bounded decomposition of rank that is -close to , there exists an () permutation matrix and diagonal matrices such that
We remark that in order to prove the theorem, we did not make any assumptions about the Kruskal ranks of . We simply assumed that they are bounded. This is an interesting feature of our proof, and is formalized in Lemma 3.4. Another observation: though we assumed that the decomposition is rank , we really need only an upper bound. This is because we can append zeroes and apply the theorem.
Our next result is a higher dimensional analogue of the above.
Since finding a small rank decomposition of a tensor is of great practical interest as we have seen, it is natural to ask if it is possible to compute it efficiently. We can prove:
Suppose is a -tensor which has an (unknown) -bounded representation , where have dimensions and respectively, for some parameter . Then, given a tensor which is -close to , we can find a rank- tensor (along with its decomposition) which is close to in time .
We can view the above as an approximation algorithm for the low-rank approximation problem for tensors. We will expound on this viewpoint in Section 4. We also note that although our algorithm is quite simple, it has a running time better than simply trying to guess the vectors in the decomposition. The latter typically takes time , which could be much worse than our bound for small values of (which is when the low rank approximation problem is typically interesting).
As we mentioned before, the algorithm does not need the promised decomposition to have large K-rank . However, if we are guaranteed that it has additional well-conditioned properties (for e.g., the sum of K-rank of is ), then Theorem 2.7 guarantees that the algorithm finds this particular decomposition (up to a small error).
Also, the algorithm extends naturally to higher dimensional tensors: we state this version in Section 4, Theorem 4.5.
Finally, we show how the above results on tensor decompositions can be used to learn latent variable models with polynomial samples, hence showing polynomial identifiability under some weak conditions involving the K-rank of the matrices. We first show polynomial identifiability for the Multi-view mixture model, which captures various latent variable models that are used commonly.
For each mixture , the mixture weight .
Polynomial identifiability of the Multi-view mixture model also leads to polynomial identifiability of other latent variable models like topic models and HMMs. The following corollary shows that Hidden Markov models can be learned from polynomial many samples by observing constant number of consecutive time steps under mild conditions involving the K-rank (the constant depends on the exact K-rank condition). Please refer to section 5 to see the implications for other latent variable and mixture models like topic models, mixtures of gaussians etc.
Corollary 5.5 (Polynomial Identifiability of Hidden Markov models). The following statement holds for any constant . Suppose we are given a Hidden Markov model with parameters as follows :
The stationary distribution has ,
The observation matrix has ,
The transition matrix has minimum singular value ,
Further, this algorithm runs in time time.
Note that the above results shows polynomial identifiability (for constant ), and additionally gives an algorithm which takes time for inverse polynomial error. To the best of our knowledge such algorithmic results with only a polynomial dependence on were not known for learning HMMs and topic models.
3 Auxiliary lemmas
In our proofs we will require several simple (mostly elementary linear algebra) lemmas. The Section A is a medley of such lemmas. Most of the proofs are reasonably straightforward, and thus we place them in the Appendix.
Uniqueness of Tensor Decompositions
First we consider third order tensors and prove Theorem 2.6 (Sections 3.1 and 3.2). Our proof broadly follows along the lines of Kruskal’s original proof of the uniqueness theorem [Kru77]. The key ingredient, which is a robust version of the so-called permutation lemma is presented in Section 3.3, since it seems interesting its own right. Finally we will see how to reduce the case of higher order tensors, i.e. Theorem 2.7, to that of third order tensors (Section 3.4).
The proof of Theorem 2.6 broadly has two parts. First, we prove that if , then is a permutation of , of , and of . Second, we prove that the permutations in the (three) different “modes” (or dimensions) are indeed equal. Let us begin by describing a lemma which is key to the first step.
This is the core of Kruskal’s argument for the uniqueness of tensor decompositions. Given two matrices and , how does one conclude that the columns are permutations of each other? Kruskal gives a very clever sufficient condition, involving looking at test vectors , and considering the number of non-zero entries of and . The intuition is that if and are indeed permutations, these numbers are precisely equal for all .
Kruskal proves that if this sufficient condition holds, then and must have columns which are permutations of each other, up to scaling. More precisely, suppose are matrices of rank . Let denote the number of non-zero entries in a vector . The lemma then states that if for all , we have
then the matrices and have columns which are permutations of each other up to a scaling. That is, there exists an permutation matrix , and a diagonal matrix s.t. .
We prove a robust version of this lemma, stated as follows (recall the definition of , Section 2)
Suppose are -bounded matrices such that and are , for some integer . Further, suppose that for , the matrices satisfy:
then there exists an permutation matrix , and a diagonal matrix s.t. and satisfy . In fact, we can pick .
In the remainder of this section, we will prove that is a permutation of , of and of . We do this by assuming Lemma 3.1 for now (it will be proved in Section 3.3) and proving that if , then the conditions of the lemma hold for as in the statement respectively. We can repeat this argument with to obtain the conclusion.
We now state the key technical lemma which allows us to verify that the hypotheses of Lemma 3.1 hold. It says for any vectors of there are at least as many columns of which are close to the span of the chosen columns from .
Suppose satisfy the conditions of Theorem 2.6, and suppose . Then for any unit vector , we have
for , where .
This lemma, together with its corollary Lemma 3.4 will imply the conditions of the permutation lemma. Lemma 3.4 lets us conclude that for some error polynomial , which is essential in our proof of the permutation lemma. It also has other implications, as we will see. While the proof of the robust permutation lemma (Lemma 3.1) will directly apply this Lemma with , we will need the case for establishing Lemma 3.4.
W.l.o.g., we may assume that (the proof for will follow along the same lines). For convenience, let us define to be the vector , and the vector . Let be the number of entries of of magnitude . The assumption of the lemma implies that . Now from (9), we have
where is an error matrix satisfying . Now, since the RHS has at most terms with , we have that of the LHS is at most . Using the value of , we obtain
We will now show that if has too many co-ordinates which are larger than then we will contradict (11). One tricky case we need to handle is the following: while each of these non-negligible co-ordinates of will give rise to a large rank- term, they can be canceled out by combinations of the rank- terms corresponding to entries of which are slightly smaller than . Hence, we will also set a smaller threshold and first handle the case when there are many co-ordinates in which are larger than . is chosen so that the terms with can not cancel out any of the large terms ().
Define and , where for some error polynomial (which is always ). Thus we have . We consider two cases.
In this case we will give a lower bound on , which gives a contradiction to (11). The intuition is roughly that have large singular values, and thus the product should have enough large ones as well. To formalize this, we use the following well-known fact about singular values of products, which is proved by considering the variational characterization of singular values:
Thus we only need to show the two inequalities above. The latter is easy, because by the hypothesis we have , and we know that , by the definition of . Thus it remains to prove the second inequality. To see this, let of size . Let and be the submatrices of and restricted to rows of . Thus we have . Because of the Kruskal condition, every sized sub matrix of is well-conditioned, and thus .
Finally, since is essentially along with additional rows, we have . From the argument earlier, we obtain a contradiction in this case.
Roughly, by defining , we have divided the coefficients into large (), small, and tiny (). In this case, we have that the number of large and small terms together (in , see Eq. (10)) is at most . For contradiction, we can assume the number of large ones is , since we are done otherwise. The aim is to now prove that this implies a lower bound on , which gives a contradiction to Eq. (11).
Now let us define . Thus and are equal up to tiny terms. Further, let be the matrix which projects a vector onto the span of , i.e., the span of the columns of which correspond to . Because there are at most such , this is a space of dimension . Thus we can rewrite Eq. (10) as
where we assumed w.l.o.g. that for , and is an error matrix of Frobenius norm at most .
Now because , and , there must be one vector among the , , which has a reasonably large projection orthogonal to the span above, i.e., which satisfies
Let us pick a unit vector along . Consider the equality (13) and multiply by on both sides. We obtain
Thus we have a combination of the ’s, with at least one coefficient being , having a magnitude at most , where was specified above. Now . So, we obtain a contradiction by Lemma A.1 since:
The last inequality follows because . This completes the proof in this case, hence concluding the proof of the lemma. ∎
The next lemma uses the above to conclude that , for some polynomial .
Let be as in the setting of Theorem 2.6. Suppose , with
Then have to be at least respectively, where .
The lemma implies that if has a well-conditioned decomposition which satisfies the Kruskal conditions, then any other bounded decomposition which is a sufficiently good approximation should also be reasonably well-conditioned. Further, it says that the decomposition can not be of rank . Otherwise, we could add some zero-columns to each of and apply this lemma to conclude K-rank of is , a contradiction if there exists a zero column.
By symmetry, let us just show this for matrix (dimensions ), and let for convenience. We need to show that every -by- submatrix of has minimum singular value .
For contradiction let be the submatrix corresponding to the columns in (), such that . Let us consider a left singular vector which corresponds to , and suppose is normalized to be unit length. Then we have
Thus for all , so we have . Now from Lemma 3.2, we have
Let denote the set of indices in which are in magnitude (by the above, we have ). Thus we have , which leads to a contradiction if we have .
Since this is true for our choice of parameters, the claim follows. ∎
Once we have the lemmas above, let us check that the conditions of the robust permutation lemma hold with taking the roles of in Lemma 3.1, and , and . From Lemma 3.4, it follows that and are both , and setting in Lemma 3.2, the other condition of Lemma 3.1 holds. Thus we can conclude that there exists a permutation matrix and a diagonal matrix of scalars such that is small. We will see the quantitative details in what follows.
2 Wrapping up the proof
We are now ready to complete the robust Kruskal’s theorem. From what we saw above, the main part that remains is to prove that the permutations in the various dimensions are equal.
Suppose we are given an as in the statement of the theorem. For a moment, suppose is small enough, and satisfying the conditions of the theorem produce tensors which are -close.
From the hypothesis, note that (since , and ). Thus from the Lemmas 3.4 and 3.2 (setting ), we obtain that satisfy the hypothesis of the Robust permutation lemma (Lemma 3.1) with set to respectively, and the parameters
Hence, we apply Lemma 3.1 to , and , and get that there exists permutation matrices , and and scalar matrix such that for ,
We now need to prove that these three permutations are in fact identical, and that the scalings multiply to the identity (up to small error).
Let us assume for contradiction that . We will use an index where the permutations disagree to obtain a contradiction to the assumptions on the K-rank .
For notational convenience, let correspond to the permutation given by , with being the column that maps to. Permutation similarly corresponds to . Using (14) for we have
By a similar argument, and using triangle inequality ( along with ) we get
Let us take linear combinations given by unit vectors and , of the given tensor along the first and second dimensions. By combining the above inequality along with the fact that the two decompositions are -close i.e. , we have
Note that the term above is negligible compared to the second term involving . We know that , so there exist such that . We will now use this to pick and carefully so that the vector is negligible while is large. We partition into with and , so that and and for each , either or . Such a partitioning is possible since .
Let and . We know that and . Hence, pick as unit vector along and as unit vector along . By this choice, we ensure that (since and ).
However, and , so (by Lemma A.2). Further, implies that at most terms of is non-zero.
Further, , and since , we have a contradiction if due to Lemma A.2. This will be true for our choice of parameters. Hence , and similarly . Let us denote . In the remainder, we assume is the identity, since this is without loss of generality.
To show :
Let us denote . From (14) and triangle inequality, we have as before
Combining this with the fact that the decompositions are -close we get
By taking linear combinations given by unit vectors along the first two dimensions (i.e. and ) we have
We will show each is negligible. Since , let be disjoint sets of indices not containing , such that and . Let and . Let and be unit vectors along and respectively.
Since and , we have that (similarly for ). Hence, from Lemma A.2
Thus, (our choice of will ensure this). This implies the theorem.
Let us now set the for the above to hold (note that involves a term which depends on )
which can easily be seen to be of the form in the statement of the theorem. This completes the proof. ∎
3 A Robust Permutation Lemma
Let us now prove the robust version of the permutation lemma (Lemma 3.1). Recall that and are , and that the matrices are .
Kruskal’s proof of the permutation lemma proceeds by induction. Roughly, he considers the span of some set of columns of (for ), and proves that there exist at least columns of which lie in this span. The hypothesis of his lemma implies this for , and the proof proceeds by downward induction. Note that implies for every column of , there is at least one column of in its span. Since no two columns of are parallel, and the number of columns is equal in , there must be precisely one column, and this completes the proof.
A natural way to mimic this proof is to say: for each set of columns in , there exist a set of at least columns in which are close to the span of the chosen columns in . The difficulty with this is that we lose a factor of in each iteration, i.e., if the statement was true for with error , it will be true for with error . This means that to obtain a small error at the end, we should have started off with error , which is exponentially small. Thus we need a more tricky inductive statement and additional observations (including Lemma 3.4) to overcome this issue.
We start by introducing some notation. If is a matrix and a subset of the columns, we denote by the span of the columns of indexed by . The next two lemmas are crucial to the analysis.
W.l.o.g., let us suppose . Also, let denote the th column of . From the hypothesis, we can write:
where and are the error vectors, which by hypothesis satisfy . We will use the fact that to conclude that each is tiny. This then implies the desired conclusion.
By equating the first and th equations (), we obtain
Thus we have a combination of the vectors being equal to , which by hypothesis is small: . Now the key is to observe that the coefficient of is precisely , because it is zero in the th equation. Thus by Lemma A.1 (since ), we have that .
Since we have this for all , we can use the first equation to conclude that
The last inequality is because , and this completes the proof. ∎
A counting argument lies at the core of the inductive proof. We present it in terms of sunflower set systems, since it allows for a clean presentation.
A set system is said to be a “sunflower on with core ” if , and for any , we have .
Let , , be a sunflower on with core , and suppose , for some . Then we have , and furthermore, equality occurs iff for all .
The proof is by a counting argument. By the sunflower structure, each has some intersection with , and some elements which do not belong to for any . Call the number of elements of the latter kind . Then we must have
Now since all , we have
as desired. For equality to occur, we must have equality in each of the places above, in particular, we must have for all , which implies for all . ∎
Finally, we introduce a bit more notation before getting to the proof. For of size , we define to be the set of indices corresponding to columns of which are -close to , where , and is as defined in the statement of Lemma 3.1. For smaller sets , we define:
With the above lemmas in place, we can prove Lemma 3.1.
We first prove the following claim by induction:
Claim. For every of size , we have .
We do this by downward induction on . For , the hypothesis of the theorem implies that . To see this, let be the dimensional space orthogonal to the span of , and let be the number of columns of which have a projection onto . From Lemma A.3 (applied to the projections to ), there is a unit vector with dot-product of magnitude with each of the columns. From the hypothesis, since (), we have . Thus at least of the columns are -close to . Now since , it follows that columns of cannot be -close the -dimensional space (Lemma A.2). Thus .
Now consider some of size . W.l.o.g., we may suppose it is . Let denote , for , and let us write . By the inductive hypothesis, for all .
Let us define to be the set of indices of the columns of which are -close to . We claim that for any . This can be seen as follows: first note that is contained in the intersection of , where the intersection is over such that , and contains either or . Now consider any element set which contains both (note ). The intersection above includes sets which contain along with all of except the th element (indexed arbitrarily), for each . Thus by Lemma 3.5, we have that .
Thus the sets form a sunflower family with core . Further, we can check that the condition of Lemma 3.7 holds with : since by the inductive hypothesis, it suffices to verify that
But now, note that is defined as the columns of which are -close to , and thus (by Lemma A.2), and thus we have . Now we have equality in Lemma 3.7, and so the ‘furthermore’ part of the lemma implies that for all .
Thus we have (the first equality follows from the definition of ), thus completing the proof of the claim, by induction.
Once we have the claim, the theorem follows by applying to singleton sets. Let . Now if is a column of which is in for all element subsets (of ) which contain , by Lemma 3.5, we have being -close to , which implies . Since this is true for each column , and since the lemma follows. ∎
4 Uniqueness Theorem for Higher Order Tensors
Given two matrices (size ) and (size ), the matrix constructed with the column equal to (viewed as a vector) is the Khatri-Rao product.
Lemma A.4 in the appendix relates the K-rank of with and . It shows that , for some . This turns out to be crucial to the proof of uniqueness in the general case, which we present now.
Since we know that the two representations are close in Frobenius norm, we have
This completes the proof of the theorem. ∎
We show a similar result for symmetric tensors, which shows robust uniqueness upto permutations (and no scaling) which will be useful in applications to mixture models (Section 5).
there exists an permutation matrix such that
The mild intricacy here is that applying Theorem 2.7 gives a bunch of scalar matrices whose product is close to the identity, while we want each of the matrices to be so. This turns out to be easy to argue – see Section A.1.
Computing Tensor Decompositions
For matrices, the theory of low rank approximation is well understood, and they are captured using singular values. In contrast, the tensor analog of the problem is in general ill-posed: for instance, there exist rank-3 tensors with arbitrarily good rank approximations [Lan12]. For instance if are orthogonal vectors, we have
where , while it is known that the LHS has rank . However note that the rank-2 representation with error uses vectors of length , and such cancellations, in a sense are responsible for the ill-posedness.
Hence in order to make the problem well-posed, we will impose a boundedness assumption.
Suppose we are given a parameter and an tensor which can be written as
such that are vectors with norm at most , and .
We note that if the decomposition into above satisfies the conditions of Theorem 2.6, then solving the -bounded low-rank approximation problem would allow us to recover up to a small error. The algorithmic result we prove is the following (restated version of Theorem 2.8).
The -bounded low-rank approximation problem can be solved in time .
In fact, the term in the error bound will just be . Our algorithm is extremely simple conceptually: we identify three -dimensional spaces by computing appropriate SVDs, and prove that for the purpose of obtaining an approximation with error, it suffices to look for in these spaces. We then find the approximate decomposition by a brute force search using an epsilon-net. Note that the algorithm has a polynomial running time for constant , which is typically when the low rank approximation problem is interesting.
In what follows, let denote the matrix whose columns are the so-called th modes of the tensor , i.e., the dimensional vector of values obtained by fixing and varying . Similarly, we define and . Also, we denote by the matrix with columns being . Similarly define .
The outline of the proof is as follows: we first observe that the matrices are all approximately rank . We then let and be the span of the top singular vectors of and respectively, and show that it suffices to search for , and in these spans. We note that we do not (and in fact cannot, as simple examples show) obtain the true span of the , and ’s in general. Our proof carefully gets around this point. We then construct an -net for , and try out all possible -tuples. This gives the roughly running time claimed in the Theorem.
We now make formal claims following the outline above.
Because the top singular vectors give the best possible rank- approximation of a matrix for every , for any -dimensional subspace , if is the projection matrix onto , we have
Picking to be the span of the vectors , we obtain
The first inequality above is because the th mode of the tensor is a vector in the span of , in particular, it is equal to , where denotes the th coordinate of .
Next, we will show that looking for in the spaces is sufficient. The natural choices are , and we show that this choice in fact gives a good approximation. For convenience let , and .
For as defined above, we have
The proof is by a hybrid argument. We write
We now bound each of the terms in the parentheses, and then appeal to triangle inequality (for the Frobenius norm). Now, the first term is easy:
One way to bound the second term is as follows. Note that:
Now let us denote the two terms in the parenthesis on the RHS by – these are tensors which we view as dimensional vectors. We have , because the Frobenius norm of the LHS is precisely . Furthermore, , because for any (one vector lies in the span and the other orthogonal to it). Thus we have (since in this case ).
A very similar proof lets us conclude that the Frobenius norm of the third term is also . This completes the proof of the claim, by our earlier observation. ∎
The claim above shows that there exist vectors of length at most in resp., which give a rank- approximation with error at most . Now, we form an -net over the ball of radius in each of the spaces . Since these spaces have dimension , the nets have size
Thus let us try all possible candidates for from these nets. Suppose we have being vectors which are -close to respectively, it is easy to see that
Now by a hybrid argument exactly as above, and using the fact that all the vectors involved are in length, we obtain that the LHS above is at most .
Thus the algorithm finds vectors such that the error is at most . The running time depends on the time taken to try all possible candidates for vectors, and evaluating the tensor for each. Thus it is . ∎
Polynomial Identifiability of Latent Variable and Mixture Models
We now show how our robust uniqueness theorems for tensor decompositions can be used for learning latent variable models, with polynomial sample complexity bounds.
An instance of a hidden variable model of size with hidden variables set is said to be polynomial identifiable if there is an algorithm that given any , uses only samples and finds with probability estimates of the hidden variables such that .
While practitioners typically use Expectation-Maximization (EM) methods to learn the parameters, a good alternative in the case of mixture models is using the method of moments approach ( starting from the work by Pearson [Pea94] for univariate gaussians ), which tries to identify the parameters by estimating higher order moments. However, one drawback is that the number of moments required is typically as large as the number of mixtures (or parameters), resulting in a sample complexity that is exponential in [MV10, BS10, FOS05, FSO06].
In a recent exciting line of work [MR06, AHK12, HK12, AFH+12, AGH+12], it is shown that samples suffice for identifiability in a special case called the non-singular or non-degenerate case i.e. when the matrix has full rank (rank = )For polynomial identifiability, . for many of these models. Their algorithms for this case proceed by reducing the problem of finding the latent variables (the means and weights) to the problem of decomposing Symmetric Orthogonal Tensors of order , which are known to be solvable in time using power-iteration type methods [KR01, ZG01, AGH+12].
However, their approach crucially relies on these non-degeneracy conditions, and are not robust: even in the case when these -means reside in a -dimensional space, these algorithms fail, and the best known sample complexity bounds in many of these settings are . In many settings like speech recognition and image classification, the dimension of the feature space is typically much smaller than , the number of topics or clusters. For instance, the (effective) feature space corresponds to just the low-frequency components in the fourier spectrum for speech, or the local neighborhood of a pixel in images (SIFT features [Low99]). These are typically much smaller than the different kinds of objects or patterns (topics) that are possible. Further, in other settings, the set of relevant features (the effective feature space) could be a space of much smaller dimension () that is unknown to us even when the feature vectors are actually represented in a large dimensional space ().
The latent variable is a discrete random variable having domain , so that .
Denote by , the matrix with the means comprising its columns i.e.
The entries (domain) of are bounded by i.e. . in general, we can also allow them to be continuous distributions like multivariate gaussians.
The following lemma shows how to obtain a higher order tensor (to apply our results from previous sections) in terms of the hidden parameters that we need to recover. It follows easily because of conditional independence.
In our usual representation of tensor decompositions,
Recall that corresponds to the minimum number such that every submatrix of has . Intuitively this says that, no set of vectors from all lie close to a dimensional space.
When for each of these matrices (the non-degenerate or non-singular setting), Anandkumar et al. [AHK12] give a polynomial time algorithm to learn the hidden variables using only samples (hence polynomial identifiability). However, their algorithm fails even when . We now how to achieve polynomial identifiability even when for any constant .
For each mixture , the mixture weight .
Note that the condition in the theorem about the mixing weights is required to recover all the parameters, since we need samples before we see a sample from mixture . However, by setting , the above algorithm can still be used to recover the mixtures components of weight larger than .
While these results give new polynomial sample complexity guarantees when , they are interesting even when the dimension of the space . A natural setting where this arises is when many of the vectors lie in a unknown space of much smaller dimension (-dims), while the whole space has high dimension.
The theorem also holds when for different , the have bounds which are potentially different, and satisfy the same condition as in Theorem 2.7.
for some scalar matrices (on -dims) such that
Note that the entries in the diagonal matrices (the scalings) may be negative. We first transform the vectors so that each of the entries in are non-negative (this is possible since the product of is close to the identity matrix, which only has non-negative entries).
2 Exchangeable (single) Topic Model
3 Hidden Markov Models
The HMM model described above is shown in Fig. 2.
The following statement holds for any constant . Suppose we are given a Hidden Markov model as described above, with parameters satisfying :
The stationary distribution has ,
The observation matrix has ,
The transition matrix has minimum singular value ,
Further, this algorithm runs in time time.
Precisely the same argument lets us conclude that , for the . Now since , we have that the conditions of Theorem 2.6 hold. Now using the arguments of Theorem 2.9 (here, we use Theorem 2.6 instead of Theorem 2.7), we get matrices and weights such that
for some . Note that . We now need to argue that we can obtain a good estimate for , from . This is done in [AMR09] by a trick which is similar in spirit to Lemma A.5. It uses the property that the matrix above is full rank (in fact well conditioned, as we saw above), and the fact that the columns of are all probability distributions.
Let , as defined above. Hence, . Now note that all the columns of represent probability distributions, so they add up to . Thus given , we can combine (simply add) appropriate rows together to get . Thus by performing this procedure (adding rows) on , we obtain . Now, if we had performed the entire procedure by replacing with (we should ensure that for the Kruskal rank condition to hold), we would obtain the matrix . Now knowing and , we can recover the matrix , since is well-conditioned. ∎
Remark: Allman et al. [AMR09] show identifiability under weaker conditions than Corollary 5.5 when they have infinite samples. This is because they prove their results for generic values of the parameters (this formally means their results hold for all except a set of measure zero, but they do not give an explicit characterization). Our bounds are weaker, but hold whenever the condition holds. Further, the main advantage is that our result is robust to noise: the case when we only have finite samples.
4 Mixtures of Spherical Gaussians
Suppose we have a mixture of gaussians given by , with hidden parameters and (in particular, we assume we know )As will be clear, it suffices to know it up to an inverse polynomial error, so from an algorithmic viewpoint, we can “try all possible” values.. Suppose also that , and for some .
Then there is a algorithm that given any and , uses samples drawn from , and finds with high probability and such that
Further, this algorithm runs in time time.
Remark: Note that the previous proof worked even when the gaussians are not spherical: they just need to have the same known covariance matrix .
From (5.7) and triangle inequality, we see that
Now, substituting the values for , we see that
The following Corollary establishes polynomial identifiability for mixtures of uniform spherical gaussians under milder conditions than [HK12] (in particular, the means need not be in general position). The difference now is that we do not assume we know .
Suppose we have a mixture of -gaussians in -dimensions with , with hidden parameters , and . Suppose , and that for some .
Then there is a algorithm that given any , uses samples drawn from , and finds with high probability , and such that
Further, this algorithm runs in time time.
We first obtain to inverse polynomial accuracy, using an elegant trick of [HK13], and then apply Theorem 5.6 to identify the parameters and weights .
Discussion and Open Problems
The most natural open problem arising from our work is that of computing approximate small rank decompositions efficiently. While the problem is NP hard in general, we suspect that well conditioned assumptions regarding robust Kruskal ranks being sufficiently large, as in the uniqueness theorem (Theorem 2.6) for decompositions of -tensors for instance, could help. In particular,
Suppose is a -tensor, that is promised to have a rank decomposition , with (similarly and ) satisfying . Can we find the decomposition (up to a specified error ) in time polynomial in and ?
In the special case that the decomposition is known to be orthogonal (i.e., the columns of are mutually orthogonal), which in particular implies , then iterative methods like power iteration [AGH+12], and “alternating least squares” (ALS) [CLdA09] This is the method of choice in practice for computing tensor decompositions. converge in polynomial time.
A result in the spirit of finding weaker sufficient conditions for uniqueness was by Chiantini and Ottaviani [CO12], who use ideas from algebraic geometry (in particular a notion called weak defectivity), to prove that generic tensors of rank have a unique decomposition (here the word ‘generic’ is meant to mean all except a measure zero set of rank tensors, which they characterize in terms of weak defectivity). Note that this is much stronger than the bound obtained by Kruskal’s theorem, which is roughly . It is also roughly the best one can hope for, since every -tensor has rank at most (and a random tensor has rank ). It would be very interesting to prove robust versions of their results, as it would imply identifiability for a much larger range of parameters in the models we consider.
A third question is that of certifying that a given decomposition is unique. Kruskal’s rank condition, while elegant, is not known to be verifiable in polynomial time. Given an matrix, certifying that every columns are linearly independent is known to be NP-hard [Kha95, TP12]. Even the average case version i.e. when the matrix is random with independent gaussian entries, has received much attention as it is related to certifying the Restricted Isometry Property (RIP), which plays a key role in compressed sensing [CT05, KZ11]. It is thus an fascinating open question to find uniqueness (and robust uniqueness) theorems which involve parameters that can be computed efficiently.
From the perspective of learning latent variable models, it would be very interesting to obtain efficient learning algorithms with polynomial running times for the settings considered in Section 5. Recall that we give algorithms which need only polynomial samples (in the dimension , and number of mixtures ), when the parameters satisfy the robust Kruskal conditions. Note that an affirmative answer to Question 6.1 (and its higher order analogue) would already imply such efficient learning algorithms. Finally, we believe that our approach can be extended to learning the parameters of general mixtures of gaussians [MV10, BS10], mixtures of product distributions [FOS05], and more generally to a broader class of parameter learning problems.
Acknowledgements
We thank Ravi Kannan for valuable discussions about the algorithmic results in this work, and Daniel Hsu for helpful pointers to the literature. The third author would also like to thank Siddharth Gopal for some useful pointers about HMM models in speech and image recognition.
References
Appendix A A Medley of Auxiliary Lemmas
We now list some of the (primarily linear algebra) lemmas we used in our proofs. They range in difficulty from trivial to ‘straightforward’, but we include them for completeness.
from which the lemma follows by setting to be the vector of . ∎
If , where is a set of at most column vectors of , then each unit vector in has a small representation in terms of the columns denoted by :
If where is any subset of column vectors of , the other columns are far from the span :
We now present the simple proofs of the three parts of the lemma.
The first part simply follows because from change of basis. Let be the matrix, where the first columns of correspond to and the rest of the columns being unit vectors orthogonal to . Since is well-conditioned, then and . The change of basis matrix is exactly : hence . Thus, .
Let and without loss of generality. Let be a vector -close to . Let be the matrix restricted to first columns: i.e. . Hence, the vector has square length , and . Thus,
Hence, (where the last inequality follows from Cauchy-Schwarz inequality). But these set of contradict the fact that the minimum singular value of any -by- submatrix of is at least .
The proof is by a somewhat standard probabilistic argument.
Thus by a union bound, with probability at least , we have
has .
Let . Suppose for contradiction has (otherwise we are done). Without loss of generality let the sub-matrix of size , formed by the first columns of have . Note that for a vector , where is the natural matrix representing . Hence
Clearly s.t : let without loss of generality. Let , and pick (it exists because ). Pre-multiplying the expression in (A) by , we get
But (by Lemma A.2), and there are only terms in the expression. Again, by Lemma A.2 applied to these (at most) columns of , we get that , which establishes the lemma. ∎
Remark. Note that the bound of the lemma is tight in general. For instance, if is an matrix s.t. the first columns correspond to one orthonormal basis, and the next columns to another (and the two bases are random, say). Then , but for any , we have , since the first terms and the next terms of add up to the same vector (as a matrix, it is the identity).
This implies that as required.
Now, let us assume . This at once implies that . Also
Now, using (33), we see that . ∎
First we have by Cauchy-Schwartz. Hence, by triangle inequality, . Since , we get . Similarly .
Finally, (since ). Hence, the lemma follows. ∎
Applying Theorem 2.7 with , to obtain a permutation matrix and scalar matrices such that
Since is a permutation matrix and has columns of length at least , we get that
Hence, substituting (A.1) in the last inequality, it is easy to see that . But since each column of is -bounded, this shows that , as required. ∎
Appendix B Properties of Tensors
Consider a -tensor of rank represented by where these three matrices are of size .
We now show a necessary condition in terms of the dimensional vectors from the decomposition.
Suppose for a subset , there exist with .
then there exists multiple rank- decompositions for
Consider any fixed non-zero vector (it can be also chosen to be not close to any of the other vectors in ). This is because . Hence, ∎
The above example showed that one necessary condition is that the should be full rank (and well-conditioned). These examples are ruled out when the Kruskal ranks of and are such that by Lemma A.4.
Appendix C Sampling Error Estimates for Higher Moment Tensors
We first bound the norm of the difference of tensors i.e. we show that