Kernel spectral clustering of large dimensional data

Romain Couillet, Florent Benaych-Georges

Introduction

Kernel spectral clustering encompasses a variety of algorithms meant to group data in an unsupervised manner based on the eigenvectors of certain data-driven matrices. These methods are so widely spread that they have become an essential ingredient of contemporary machine learning (see [V07] and references therein). This being said, the theoretical foundations of kernel spectral clustering are not unified as it can be obtained from several independent ideas, hence the multiplicity of algorithms to meet the same objective.

where, with D≜D⁡(K1n)D\triangleq\operatorname{\mathcal{D}}(K1_{n}) (with D⁡(⋅)\operatorname{\mathcal{D}}(\cdot) the diagonal operator), D−KD-K is the so-called (unnormalized) Laplacian matrix of KK and MM contains the information about the Ci\mathcal{C}_{i} classes. Observing that MTM=IkM^{\sf T}M=I_{k}, one may relax the above problem to

which then reduces to an eigenvector problem. From the original form of M∈MM\in\mathcal{M}, the data clusters can then readily be retrieved from the entries of MM.

Our focus, for reasons discussed below, is precisely on the following version of the normalized Laplacian matrix

which we shall from now on refer to, with a slight language abuse, as the Laplacian matrix of KK. The kernel function κ\kappa will be such that κ(x,y)=f(∥x−y∥2/p)\kappa(x,y)=f(\|x-y\|^{2}/p) for some sufficiently smooth ff independent of n,pn,p, that isThis choice is merely motivated by the wide spread of these (so-called radial) kernels in statistics. The alternative choice κ(x,y)=f(xTy/p)\kappa(x,y)=f(x^{\sf T}y/p) could be treated similarly and in fact turns out (based on a parallel study) to be much simpler to handle and less rich in clustering capabilities.

For xix_{i} in class Ca\mathcal{C}_{a}, we assume that xi∼N(μa,Ca)x_{i}\sim\mathcal{N}(\mu_{a},C_{a}) with (μa,Ca)∈{(μ1,C1),…,(μk,Ck)}(\mu_{a},C_{a})\in\{(\mu_{1},C_{1}),\ldots,(\mu_{k},C_{k})\} (kk shall remain fixed while p,n→∞p,n\to\infty) such that, for each (a,b)(a,b), ∥μa−μb∥=O(1)\|\mu_{a}-\mu_{b}\|=O(1) while ∥Ca∥=O(1)\|C_{a}\|=O(1) (here, and throughout the article, ∥⋅∥\|\cdot\| stands for the operator norm) and tr⁡(Ca−Cb)=O(p)\operatorname{tr}(C_{a}-C_{b})=O(\sqrt{p}). This setting can be considered as a critical growth rate regime in the sense that, supposing tr⁡Ca\operatorname{tr}C_{a} and tr⁡Ca2\operatorname{tr}C_{a}^{2} to be of order O(p)O(p) (which is natural if ∥Ca∥=O(1)\|C_{a}\|=O(1)) and ∥μa−μb∥=O(1)\|\mu_{a}-\mu_{b}\|=O(1), the norms of the observations in each class Ca\mathcal{C}_{a} fluctuate at rate p\sqrt{p} around tr⁡Ca\operatorname{tr}C_{a}, so that clustering ought to be possible so long as tr⁡(Ca−Cb)=O(p)\operatorname{tr}(C_{a}-C_{b})=O(\sqrt{p}).

The technical contribution of this work is to provide a thorough analysis of the eigenvalues and eigenvectors of the matrix LL in the aforementioned regime. In a nutshell, we shall demonstrate that there exist critical values for the (inter-cluster differences between) means μi\mu_{i} and covariances CiC_{i} beyond which some (relevant) eigenvalues of LL tend to isolate from the majority of the eigenvalues, thus inducing a so-called spiked model for LL. When this occurs, the eigenvectors associated to these isolated eigenvalues will contain information about class clustering. Our objective is to precisely describe the structure of the individual eigenvectors as well as to evaluate correlation coefficients among these, keeping in mind that the ultimate interest is on harnessing spectral clustering methods. The outcomes of our study shall provide new practical insights and methods to appropriately select the kernel function ff.

Before delving concretely into our main results, some of which may seem quite cryptic on the onset, we introduce below a motivation example and some visual results of our work.

The proofs of some of the technical mathematical results are deferred to our companion paper [BC16].

We shall often denote {va}a=1k\{v_{a}\}_{a=1}^{k} a column vector with aa-th entry (or block entry) vav_{a} (which may be a vector itself), while {Vab}a,b=1k\{V_{ab}\}_{a,b=1}^{k} denotes a square matrix with entry (or block-entry) (a,b)(a,b) given by VabV_{ab} (which may be a matrix itself).

Motivation and statement of main results

Let us start by illustratively motivate our work. In Figure 2 are displayed in red the eigenvectors associated with the four largest eigenvalues of LL (as defined in (2)) for x1,…,xnx_{1},\ldots,x_{n} a set of (preprocessedThe full MNIST database is preprocessed by discarding from all images the empirical mean and by then scaling the resulting vector images by pp over the average squared norm of all vector images. This preprocessing ensures an appropriate match to the base Assumption 1 below.) vectorized images sampled from the popular MNIST database (handwritten digits) [LCB98]. The vector images are of size p=784p=784 (for images are of size 28×2828\times 28) and we take n=192n=192 samples, with the first 6464 xix_{i}’s being images of zeros, next 6464 images of ones, and last 6464 images of twos. An example of these is displayed in Figure 1 (the vector values follow a grayscale from zero for black to one for white). The kernel function ff (defining the kernel matrix KK through (3)) is taken to be the standard f(x)=exp⁡(−x/2)f(x)=\exp(-x/2) Gaussian kernel.

In order to anticipate the performance of clustering methods, and to be capable of improving the latter, it is a fundamental first step to understand the behavior of the eigenvectors of Figure 2 along with their joint correlation, as exemplified in Figure 3. The present work intends to lay the theoretical grounds for such clustering performance understanding and improvement. Namely, we shall investigate the existence and position of isolated eigenvalues of LL and shall show that some of them (not always all of them) carry information about the class structure of the problem. Then, since, by a clear invariance property of the model under consideration, each of the dominant eigenvectors of LL can be divided class-wise into kk chunks, each of which being essentially composed of independent realizations of a random variable with given mean and variance, we shall identify these means and variances. Finally, since eigenvectors are correlated, we shall evaluate the class-wise correlation coefficients.

As a first glimpse on the practical interest of our results, in Figure 2 are displayed in blue lines the theoretical means and standard deviations for each class-wise chunk of eigenvectors, obtained from the results of this article. That is, the means and standard deviations that one would obtain if the data were genuinely Gaussian (which here for the MNIST images they are obviously not). Also, Figure 3 proposes in blue ellipses the theoretical one- and two-standard deviations of the joint eigenvector entries, again if the data were to be Gaussian. It is quite interesting to see that, in spite of their evident non-Gaussianity, the theoretical findings visually conform to the data behavior. We are thus optimistic that the findings of this work, although restricted to Gaussian assumptions, can be applied to a large set of problems beyond strongly structured ones.

We summarize below our main theoretical contributions and their practical aftermaths, all detailed more thoroughly in the subsequent sections. From a technical standpoint, our main results may be summarized as follows:

as n,p→∞n,p\to\infty while n/p=O(1)n/p=O(1), ∥L′−L^′∥→0\|L^{\prime}-\hat{L}^{\prime}\|\to 0 (in operator norm) almost surely, where L′L^{\prime} is a slight modification of LL and L^′\hat{L}^{\prime} is a matrix which is an instance of the so-called spiked random matrix models, as introduced in [BBP05, BN12] (but closer to the model studied independently in [CH13]); that is, the spectrum of L^′\hat{L}^{\prime} is essentially composed of (one or several) clusters of eigenvalues and finitely many isolated ones. This result is the mandatory ground step that allows for the theoretical understanding of the eigenstructure of LL;

as is standard in spiked models, there exists a phase transition phenomenon by which, the more distinct the classes, the more eigenvalues tend to isolate from the main eigenvalue bulk of L^′\hat{L}^{\prime} and the more information is contained within the eigenvectors associated with those eigenvalues. This statement is precisely accounted for by exhibiting conditions for the separability of the isolated eigenvalues from the main bulk, by exactly locating these eigenvalues, and by retrieving the asymptotic values of the class-wise means and variances of the isolated eigenvectors;

the eigenvectors associated to the isolated eigenvalues are correlated to one another and we precisely exhibit the asymptotic correlation coefficients.

Aside from these main expected results are some more subtle and somewhat unexpected outcomes:

the eigenvectors associated with some of the non extreme isolated eigenvalues of L′L^{\prime} may contain information about the classes, and thus clustering may be performed not only based on extreme eigenvectors;

on the contrary, some of the eigenvectors associated to isolated eigenvalues, even the largest, may be purely noisy;

in some specific scenarios, the theoretical number of informative isolated eigenvalues cannot exceed two altogether, while in others as many as k−1k-1 can be found in-between each pair of eigenvalue bulks of L′L^{\prime};

in some other scenarios, two eigenvectors may be essentially the same, so that some eigenvectors may not always provide much information diversity.

From a practical standpoint, the aforementioned technical results, along with the observed adequacy between theory and practice, have the following key entailments:

as opposed to classical kernel spectral clustering insights in small dimensional datasets, high dimensional data tend to be “always far from one another” to the point that ∥xi−xj∥\|x_{i}-x_{j}\| for intra-class data xix_{i} and xjx_{j} may systematically be larger than for inter-class data. This disrupts many aspects of kernel spectral clustering, starting with the interest for non-decreasing kernel functions ff;

the interplay between the triplet (f(τ),f′(τ),f′′(τ))(f(\tau),f^{\prime}(\tau),f^{\prime\prime}(\tau)) and the class-wise means and covariances opens up a new road for kernel investigations; in particular, although counter-intuitive, choosing ff non-monotonous may be beneficial for some datasets. In a work subsequent to the present article [CK16], we show that choosing f′(τ)=0f^{\prime}(\tau)=0 allows for very efficient subspace clustering of zero mean data, where the traditional Gaussian kernel f(x)=exp⁡(−x/2)f(x)=\exp(-x/2) completely fails (the motivation for [CK16] was spurred by the important Remark 12 below);

more specifically, in problems where clustering ought to group data upon specific statistical properties (e.g., upon the data covariance, irrespective of the statistical means), then appropriate choices of kernels ff can be made that purposely discard specific statistical information;

the result of the study of the eigenvectors content, along with point (B) above, allow for a theoretical evaluation of the optimally expectable performance of kernel spectral clustering for large dimensional Gaussian mixtures (and then likely for any practical large dimensional dataset). As such, upon the existence of a parallel set of labelled data, one may prefigure the optimum quality of kernel clustering on similar datasets (e.g., datasets anticipated to share similar statistical structures).

We now turn to the detailed introduction of our model and to some necessary preliminary notions of random matrix theory.

Preliminaries

We shall consider the large dimensional regime where both nn and pp are simultaneously large with the following growth rate assumption.

As n→∞n\to\infty, the following conditions hold.

Data scaling: defining c0≜pnc_{0}\triangleq\frac{p}{n}

Class scaling: for each a∈{1,…,k}a\in\{1,\ldots,k\}, defining ca≜nanc_{a}\triangleq\frac{n_{a}}{n},

We shall denote c≜{ca}a=1kc\triangleq\left\{c_{a}\right\}_{a=1}^{k}.

Mean scaling: let μ∘≜∑i=1kninμi\mu^{\circ}\triangleq\sum_{i=1}^{k}\frac{n_{i}}{n}\mu_{i} and for each a∈{1,…,k}a\in\{1,\ldots,k\}, μa∘≜μa−μ∘\mu_{a}^{\circ}\triangleq\mu_{a}-\mu^{\circ}, then

Covariance scaling: let C∘≜∑i=1kninCiC^{\circ}\triangleq\sum_{i=1}^{k}\frac{n_{i}}{n}C_{i} and for each a∈{1,…,k}a\in\{1,\ldots,k\}, Ca∘≜Ca−C∘C_{a}^{\circ}\triangleq C_{a}-C^{\circ}, then

As discussed in the introduction, the growth rates above were chosen in such a way that the achieved clustering performance be non-trivial in the sense that: (i) the proportion of misclassification remains non-vanishing as n→∞n\to\infty, and (ii) there exist smallest values of ∥μa∘∥\|\mu_{a}^{\circ}\|, 1ptr⁡Ca∘\frac{1}{\sqrt{p}}\operatorname{tr}C_{a}^{\circ} and 1ptr⁡Ca∘Cb∘\frac{1}{p}\operatorname{tr}C_{a}^{\circ}C_{b}^{\circ} below which no isolated eigenvector can be used to perform efficient spectral clustering.

This quantity is central to our analysis as it is easily shown that, under Assumption 1,

almost surely. The value τ\tau, which depends implicitly on nn, is bounded but needs not converge as p→∞p\to\infty.

The function ff is three-times continuously differentiable in a neighborhood of the values taken by τ\tau. Moreover, lim inf⁡nf(τ)>0\liminf_{n}f(\tau)>0.

From (5), it appears that, while the diagonal elements of KK are all equal to f(0)f(0), the off-diagonal entries jointly converge toward f(τ)f(\tau). This means that, up to (f(τ)−f(0))In(f(\tau)-f(0))I_{n}, KK is essentially a rank-one matrix.

The observation above has important consequences to the traditional vision of kernel spectral clustering. Indeed, while in the low-dimensional regime (small pp) it is classically assumed that intra-class data can be linked through a chain of short distances ∥xi−xj∥\|x_{i}-x_{j}\|, for large pp, all xix_{i} tend to be far apart. The statistical differences between data, that shall then allow for clustering, only appear in the second order terms in the expansion of KijK_{ij} which need not be ordered in a decreasing manner as xix_{i} and xjx_{j} belong to “more distant classes”. This immediately annihilates the need for ff to be a decreasing function, thereby disrupting from elementary considerations in traditional spectral clustering.

As spectral clustering is based on Laplacian matrices rather than on KK itself, we shall focus here on the Laplacian matrix

where D=D⁡(K1n)D=\operatorname{\mathcal{D}}(K1_{n}) is often referred to as the matrix of degrees of KK. Aside from the arguments laid out in the introduction, the choice of studying the matrix LL also follows from a better stability of clustering algorithms based on LL versus KK and D−KD-K that we observed in various simulations.

Under our growth rate assumptions, the matrix LL shall be seen to essentially be a rank-one matrix which is rather simple to deal with since, unlike KK, its dominant eigenvector is known precisely to be D121nD^{\frac{1}{2}}1_{n} and it shall be shown that the projected matrix

has bounded operator norm almost surely as n→∞n\to\infty. Indeed, note here that L′L^{\prime} and LL have the same eigenvalues and eigenvectors but for the eigenvalue-eigenvector pair (n,D121n)(n,D^{\frac{1}{2}}1_{n}) of LL turned into (0,D121n)(0,D^{\frac{1}{2}}1_{n}) for L′L^{\prime}. Under the aforementioned assumptions, the matrix L′L^{\prime} will be subsequently shown to have its eigenvalues all of order O(1)O(1).

Our first intermediary result shows that there exists a matrix L^′\hat{L}^{\prime} such that ∥L′−L^′∥→0\|L^{\prime}-\hat{L}^{\prime}\|\to 0 almost surely, where L^′\hat{L}^{\prime} follows an analytically tractable random matrix model. Before going into the result, a few notations need be introduced. In the remainder of the article, we shall use the following deterministic element notationsAs a mental reminder, capital MM stands here for means while tt, TT account for vector and matrix of traces, PP for a projection matrix (onto the orthogonal of the vector 1n1_{n}).

Let Assumptions 1 and 2 hold. Let L′L^{\prime} be defined as in (6). Then, as n→∞n\to\infty,

almost surely, where L^′\hat{L}^{\prime} is given by

with F(τ)=f(0)−f(τ)+τf′(τ)2f′(τ)F(\tau)=\frac{f(0)-f(\tau)+\tau f^{\prime}(\tau)}{2f^{\prime}(\tau)} and

and the case f′(τ)=0f^{\prime}(\tau)=0 is obtained through extension by continuity (f′(τ)Bf^{\prime}(\tau)B being well defined as f′(τ)→0f^{\prime}(\tau)\to 0).

From Theorem 1 it entails that the eigenvalues of L′L^{\prime} and L^′\hat{L}^{\prime} converge to one another (as we have as an immediate corollary that max⁡i∣λi(L′)−λi(L^′)∣⟶a.s.0\max_{i}|\lambda_{i}(L^{\prime})-\lambda_{i}(\hat{L}^{\prime})|\overset{\rm a.s.}{\longrightarrow}0; see e.g., [HJ85, Theorem 4.3.7]), so that the determination of isolated eigenvalues in the spectrum of L′L^{\prime} (or LL) can be studied from the equivalent problem for L^′\hat{L}^{\prime}. More importantly, from Theorem 1, it unfolds that, for every isolated eigenvector uu of L′L^{\prime} and its associated u^\hat{u} of L^′\hat{L}^{\prime}, ∥u−u^∥⟶a.s.0\|u-\hat{u}\|\overset{\rm a.s.}{\longrightarrow}0. Thus, the spectral clustering performance based on the observable L′L^{\prime} (or LL) may be asymptotically analyzed through that of L^′\hat{L}^{\prime}.

A few important remarks concerning Theorem 1 are in order before proceeding. From a mathematical standpoint, observe that, up to a scaled identity matrix and a constant scale factor, if f′(τ)≠0f^{\prime}(\tau)\neq 0, L^′\hat{L}^{\prime} is a random matrix of the so-called spiked model family [BBP05] in that it equals the sum of a somewhat standard random matrix model PWTWPPW^{\sf T}WP and of a small rank (here up to 2k+12k+1) matrix UBUTUBU^{\sf T}. Nonetheless, it differs from classically studied spiked models in several aspects: (i) UU is not independent of WW, which is a technical issue that can fairly easily be handled, and (ii) PWTWPPW^{\sf T}WP itself constitutes a spiked model as PP is a low rank perturbation of the identity matrix.Our choice of not breaking PWTWPPW^{\sf T}WP into WTWW^{\sf T}W plus small rank perturbation integrated to the perturbation UBUTUBU^{\sf T} stands from the fact that the hypothetical isolated eigenvectors PP engenders do not provide any clustering information, unlike UBUTUBU^{\sf T}. Besides, by Remark 3 below or by interlacing inequalities, PWTWPPW^{\sf T}WP does not induce isolated eigenvalues on the right side of the support, where clustering algorithms look for eigenvalues.

As such, as n→∞n\to\infty, the eigenvalues of L^′\hat{L}^{\prime} are expected to be asymptotically the same as those of PWTWPPW^{\sf T}WP (which mainly gather in bulks) but possibly for finitely many of them which are allowed to wander away from the main eigenvalue bulks. As per classical spiked model results from random matrix theory, it is then naturally expected that, if some of the (finitely many) eigenvalues of UBUTUBU^{\sf T} are sufficiently large, those shall induce isolated eigenvalues in the spectrum of L^′\hat{L}^{\prime}, the eigenvectors of which align to some extent to the eigenvectors of UBUTUBU^{\sf T}. If instead f′(τ)=0f^{\prime}(\tau)=0, then L^′−f(0)−f(τ)f(τ)In\hat{L}^{\prime}-\frac{f(0)-f(\tau)}{f(\tau)}I_{n} is of maximum rank k+1k+1 and is fully deterministic, hence has eigenvalue-eigenvector pairs immediately related to UBUTUBU^{\sf T}.

From a spectral clustering aspect, observe that UU is importantly constituted by the vectors jaj_{a}, 1≤a≤k1\leq a\leq k, while BB contains the information about the inter-class mean deviations through MM, and about the inter-class covariance deviations through tt and TT. As such, some of the aforementioned isolated eigenvectors are expected to align to the canonical class basis JJ and we already intuit that this will be true all the more that the matrices MM, tt, TT have sufficient “energy” (i.e., are sufficiently away from zero matrices). Theorem 1 thus already prefigures the behavior of spectral clustering methods thoroughly detailed in Section 4.

A more detailed application-oriented analysis now sheds light on the behavior of the kernel function ff. Note that, if f′(τ)→0f^{\prime}(\tau)\to 0, L′L^{\prime} becomes essentially deterministic as f′(τ)PWTWP→0f^{\prime}(\tau)PW^{\sf T}WP\to 0, this having a positive effect of the alignment between L′L^{\prime} and JJ. However, when f′(τ)→0f^{\prime}(\tau)\to 0, MM vanishes from the expression of L^′\hat{L}^{\prime}, thus not allowing spectral clustering to rely on differences in means. Similarly, if f′′(τ)→0f^{\prime\prime}(\tau)\to 0, then TT vanishes, and thus differences in “shape” between the covariance matrices cannot be discriminated upon. Finally, if 5f′(τ)8f(τ)−f′′(τ)2f′(τ)→0\frac{5f^{\prime}(\tau)}{8f(\tau)}-\frac{f^{\prime\prime}(\tau)}{2f^{\prime}(\tau)}\to 0, then differences in covariance traces are seemingly not exploitable.

This observation leads to the following key remark on the optimal choice of a kernel.

An illustrative application of Theorem 1 is proposed in Figure 4, where a three-class example with Gaussian kernel function is considered. Note the extremely accurate spectrum approximation of L′L^{\prime} by L^′\hat{L}^{\prime} in this example. Anticipating slightly our coming results, note here that, aside from the eigenvalue zero, two isolated (spiked) eigenvalues are observed, which shall presently be related to the eigenvalues of the small rank matrix UBUTUBU^{\sf T}.

Before introducing our technical approach, a few further random matrix notions are needed.

where the (g1,…,gk)(g_{1},\ldots,g_{k}) is the unique vector of Stieltjes transforms solutions, for all such zz, to the implicit equations

and the notation An↔BnA_{n}\leftrightarrow B_{n} stands for the fact that, as n→∞n\to\infty, 1ntr⁡DnAn−1ntr⁡DnBn⟶a.s.0\frac{1}{n}\operatorname{tr}D_{n}A_{n}-\frac{1}{n}\operatorname{tr}D_{n}B_{n}\overset{\rm a.s.}{\longrightarrow}0 and d1,nT(An−Bn)d2,n⟶a.s.0d_{1,n}^{\sf T}(A_{n}-B_{n})d_{2,n}\overset{\rm a.s.}{\longrightarrow}0 for all deterministic Hermitian matrix DnD_{n} and deterministic vectors di,nd_{i,n} of bounded norms.

With those notations and remarks at hand, we are now ready to introduce our main results.

Main Results

Before delving into the investigation of the eigenvalues and eigenvectors of LL, recall from Theorem 1 that the behavior of LL is strikingly different if f′(τ)f^{\prime}(\tau) is away from zero or if instead f′(τ)→0f^{\prime}(\tau)\to 0. We shall then systematically study both cases independently. In practice, if f′(τ)f^{\prime}(\tau) only has limit points at zero (so is neither away nor converges to zero), then the following study will be valid up to extracting subsequences of pp.

Assume first that f′(τ)f^{\prime}(\tau) is away from zero, i.e., lim inf⁡p∣f′(τ)∣>0\liminf_{p}|f^{\prime}(\tau)|>0. In order to study the isolated eigenvalues and associated eigenvectors of the model, we follow standard random matrix approaches as developed in e.g., [BN12, HLMNV13]. That is, to determine the isolated eigenvalues, we shall solve

for ρ\rho away from Sp∪Gp\mathcal{S}_{p}\cup\mathcal{G}_{p} defined in Lemma 1. Such ρ\rho ensure the correct behavior of the resolvent Qρ=(PWTWP−ρIn)−1Q_{\rho}=(PW^{\sf T}WP-\rho I_{n})^{-1}. Factoring out PWTWP−ρInPW^{\sf T}WP-\rho I_{n} and using Sylverster’s identity, the above equation is then equivalent to

By Lemma 1 (and some arguments to handle the dependence between UU and QρQ_{\rho}), UTQρUU^{\sf T}Q_{\rho}U tends to be deterministic in the large nn limit, and thus, using a perturbation approach along with the argument principle, we find that the isolated eigenvalues of PWTWP+UBUTPW^{\sf T}WP+UBU^{\sf T} tend to be the values of ρ\rho for which BUTQρU+I2k+1BU^{\sf T}Q_{\rho}U+I_{2k+1} has a zero eigenvalue, the multiplicity of ρ\rho being asymptotically the same as that of the aforementioned zero eigenvalue.

All calculus made, we have the following first main results.

Let Assumptions 1 and 2 hold and define the k×kk\times k matrix

As it shall turn out, the isolated eigenvalues identified in Theorem 2 are the only ones of practical interest for spectral clustering as they are strongly related to JJ. However, some other isolated eigenvalues may be found which we discuss here for completion (and thoroughly in the proof section).

Under the conditions of Theorem 2, if there exists a ρ+\rho_{+} in a neighborhood of Hp\mathcal{H}_{p} such that det⁡Hρ+=0\det H_{\rho_{+}}=0 with HzH_{z} defined in (25), then there exist λjp≥…≥λj+mρ+−1p\lambda_{j}^{p}\geq\ldots\geq\lambda^{p}_{j+m_{\rho_{+}}-1} eigenvalues of LL satisfying

where mρ≥1m_{\rho}\geq 1 is the multiplicity of zero as an eigenvalue of HρH_{\rho}. Note in particular that, if t=0t=0 and Hp∩Spc≠∅\mathcal{H}_{p}\cap\mathcal{S}_{p}^{c}\neq\emptyset, then such ρ+\rho_{+} exists. Figure 7, commented later, provides an example where a ρ+\rho_{+} is found amongst the other isolated eigenvalues of LL (emphasized here in blue). Note that ρ+\rho_{+} only depends on a weighted sum of the tr⁡Ci2\operatorname{tr}C_{i}^{2} and may even exist when M=0M=0, t=0t=0, and T=0T=0. Intuitively, this already suggests that ρ+\rho_{+} is only marginally related to the spectral clustering problem.

Operating the variable change z↦−f′(τ)z/f(τ)z\mapsto-f^{\prime}(\tau)z/f(\tau) in the expression of GzG_{z}, we may form the matrix G−f(τ)z/(2f′(τ))G_{-f(\tau)z/(2f^{\prime}(\tau))} the null eigenvalues of which are achieved for the values −2f′(τ)ρ/f(τ)-2f^{\prime}(\tau)\rho/f(\tau) where ρ\rho is defined in Theorem 2. While GzG_{z} is ill-defined as f′(τ)→0f^{\prime}(\tau)\to 0, G−f(τ)z/(2f′(τ))G_{-f(\tau)z/(2f^{\prime}(\tau))} has a non trivial limit, which we denote Gz0G^{0}_{z} and that allows for an extension of Theorem 2 to the case f′(τ)→0f^{\prime}(\tau)\to 0. In particular, ga(−f(τ)z/(2f′(τ)))g_{a}(-f(\tau)z/(2f^{\prime}(\tau))) behaves similar to 2f′(τ)/(c0f(τ)z)2f^{\prime}(\tau)/(c_{0}f(\tau)z) for all a∈{1,…,k}a\in\{1,\ldots,k\} and we have the following simpler expression.

Let Assumptions 1–2 hold and define the k×kk\times k matrixThere, h0(τ,z)=lim⁡f′(τ)→0h(τ,z)h^{0}(\tau,z)=\lim_{f^{\prime}(\tau)\to 0}h(\tau,z), Γz0=lim⁡f′(τ)→0−f(τ)/(2f′(τ))Γ−f(τ)z/(2f′(τ))\Gamma^{0}_{z}=\lim_{f^{\prime}(\tau)\to 0}-f(\tau)/(2f^{\prime}(\tau))\Gamma_{-f(\tau)z/(2f^{\prime}(\tau))}, and Dτ,z0=lim⁡f′(τ)→0−2f′(τ)f(τ)Dτ,−f(τ)z/(2f′(τ))D^{0}_{\tau,z}=\lim_{f^{\prime}(\tau)\to 0}-\frac{2f^{\prime}(\tau)}{f(\tau)}D_{\tau,-f(\tau)z/(2f^{\prime}(\tau))}.

Define also Hp0={x ∣ h0(τ,x)=0}\mathcal{H}_{p}^{0}=\{x~{}|~{}h^{0}(\tau,x)=0\}. Then, for ρ0\rho^{0} at macroscopic distance from Hp0∪{(f(0)−f(τ))/f(τ)}\mathcal{H}_{p}^{0}\cup\{(f(0)-f(\tau))/f(\tau)\} such that Gρ00G^{0}_{\rho^{0}} has a zero eigenvalue of multiplicity mρ0m^{0}_{\rho}, there exist λjp≥⋯≥λj+mρ−1p\lambda_{j}^{p}\geq\cdots\geq\lambda_{j+m_{\rho}-1}^{p} (jj may depend on pp) eigenvalues of LL satisfying

Similar to Remark 4, under the conditions of Theorem 3, if there exists ρ+0\rho_{+}^{0} in a small neighborhood of Hp∘\mathcal{H}_{p}^{\circ} such that det⁡Hρ+00=0\det H^{0}_{\rho_{+}^{0}}=0 with Hz0H_{z}^{0} defined in (27), then there exist λjp≥…≥λj+mρ+0−1\lambda_{j}^{p}\geq\ldots\geq\lambda_{j+m_{\rho_{+}^{0}}-1}, eigenvalues of LL satisfying

with mρ+0m_{\rho_{+}^{0}} the multiplicity of the zero eigenvalue of Hρ+00H^{0}_{\rho_{+}^{0}}. Along with the eigenvalue nn and the eigenvalues identified in Theorem 3, this enumerates all the (asymptotic) isolated eigenvalues of LL.

The two theorems above exhibit quite involved expressions that do not easily allow for intuitive interpretations. We shall see in Section 5 that these results greatly simplify in some specific scenarios of practical interest. We may nonetheless already extrapolate some elementary properties.

If an eigenvalue of Dτ,ρD_{\tau,\rho} diverges to infinity as n,p→∞n,p\to\infty, by the boundedness property of Stieltjes transforms, we find that h(τ,ρ)h(\tau,\rho) and Γρ\Gamma_{\rho} remain bounded and, thus, the value ρ\rho cancelling the determinant of GρG_{\rho} must go to infinity as well. This is the expected behavior of spiked models. This implies in particular that, if, for some i,ji,j, ∥μi∘∥→∞\|\mu_{i}^{\circ}\|\to\infty, or ti→∞t_{i}\to\infty, or Tij→∞T_{ij}\to\infty, as n,p→∞n,p\to\infty slowly (thus disrupting from our assumptions), there will exist an asymptotically unbounded eigenvalue in the spectrum of LL (aside from the eigenvalue nn). On the opposite, if for all i,ji,j those quantities vanish as n,p→∞n,p\to\infty, then Dτ,zD_{\tau,z} is essentially zero in the limit, and thus, aside from the ρ\rho’s solution to h(τ,ρ)=0h(\tau,\rho)=0 (and from the eigenvalue nn), no isolated eigenvalue can be found in the spectrum of LL.

As a confirmation of the intuition captured in Remark 2, it now clearly appears from Theorem 3 that, as f′(τ)=0f^{\prime}(\tau)=0, the matrix MM does not contribute to the isolated eigenvectors of LL and thus the μi\mu_{i}’s can be anticipated not to play any role in the resulting spectral clustering methods. Similarly, from Theorem 2, if f′′(τ)=0f^{\prime\prime}(\tau)=0, the cross-variances 1ptr⁡Ci∘Cj∘\frac{1}{p}\operatorname{tr}C_{i}^{\circ}C_{j}^{\circ} will not intervene and thus cannot be discriminated over. Finally, letting 5f′(τ)8f(τ)=f′′(τ)2f′(τ)\frac{5f^{\prime}(\tau)}{8f(\tau)}=\frac{f^{\prime\prime}(\tau)}{2f^{\prime}(\tau)} discards the impact of the traces 1ptr⁡Ci∘\frac{1}{\sqrt{p}}\operatorname{tr}C_{i}^{\circ}. This has interesting consequences in practice if one aims at discriminating data upon some specific properties.

2. Eigenvectors

Let us now turn to the central aspect of the article: the eigenvectors of LL (being the same as those of L′L^{\prime}, up to reordering).

To start with, note that, in both theorems, the eigenvalue nn is associated with the eigenvector D121nD^{\frac{1}{2}}1_{n}. Since the eigenvector is completely explicit (which shall not be the case of the next eigenvectors), it is fairly easy to study independently without resorting to any random matrix analysis. Precisely, we have the following result for it.

with φ∼N(0,In)\varphi\sim\mathcal{N}(0,I_{n}) and o(n−1)o(n^{-1}) is meant entry-wise.

We can make the value of φ\varphi explicit as follows. Recalling the definition (7) of ψ\psi,

Note that the eigenvector D121nD^{\frac{1}{2}}1_{n} may then be used directly for clustering, with increased efficiency when the entries ta=1ptr⁡Ca∘t_{a}=\frac{1}{\sqrt{p}}\operatorname{tr}C_{a}^{\circ} of tt grow large for fixed 1ptr⁡Ca2\frac{1}{p}\operatorname{tr}C_{a}^{2}. But the eigenvector (asymptotically) carries no information concerning MM or TT and is in particular of no use if all covariances CiC_{i} have the same trace.

For the other isolated eigenvectors, the study is much more delicate as we do not have an explicit expression as in Proposition 1. Instead, by statistical interchangeability of the class-Ca\mathcal{C}_{a} entries of, say, the ii-th isolated eigenvector u^i\hat{u}_{i} of LL, we may write

Assuming when needed unit multiplicity for the eigenvalue associated with u^i\hat{u}_{i}, our objective is now twofold:

Class-wise Eigenvector Means. We first wish to retrieve the values of the αai\alpha_{a}^{i}’s. For this, note that

We shall evaluate these quantities by obtaining an estimator for the k×kk\times k matrix 1pJTu^iTu^iTJ\frac{1}{p}J^{\sf T}\hat{u}_{i}^{\sf T}\hat{u}_{i}^{\sf T}J. The diagonal entries of the latter will allow us to retrieve ∣αai∣|\alpha_{a}^{i}| and the off-diagonal entries will be used to decide on the signs of α1i,…,αki\alpha_{1}^{i},\ldots,\alpha_{k}^{i} (up to a convention in the sign of u^i\hat{u}_{i}).

Class-wise Eigenvector Inner and Cross Fluctuations. Our second objective is to evaluate the quantities

between the fluctuations of two eigenvectors indexed by ii and jj on the subblock indexing Ca\mathcal{C}_{a}. In particular, letting i=ji=j, σai,i=(σai)2\sigma_{a}^{i,i}=(\sigma_{a}^{i})^{2} from the previous definition (8). For this, it is sufficient to exploit the previous estimates and to evaluate the quantities u^iTD(ja)u^j\hat{u}_{i}^{\sf T}\mathcal{D}(j_{a})\hat{u}_{j}. But, to this end, for lack of a better approach, we shall resort to estimating the more involved object 1pJTu^iu^iTD(ja)u^ju^jTJ\frac{1}{p}J^{\sf T}\hat{u}_{i}\hat{u}_{i}^{\sf T}\mathcal{D}(j_{a})\hat{u}_{j}\hat{u}_{j}^{\sf T}J, from which u^iTD(ja)u^j\hat{u}_{i}^{\sf T}\mathcal{D}(j_{a})\hat{u}_{j} can be extracted by division of any entry m,lm,l by αmiαli\alpha_{m}^{i}\alpha_{l}^{i}. The specific fluctuations of the eigenvector D121nD^{\frac{1}{2}}1_{n} as well as the cross-correlations between any eigenvector and D121nD^{\frac{1}{2}}1_{n} will be treated independently.

The two aforementioned steps are successively derived in the next sections, starting with the evaluation of the coefficients αai\alpha_{a}^{i}.

Consider the case where f′(τ)f^{\prime}(\tau) is away from zero. First observe that, for λjp,…,λj+mρ−1p\lambda^{p}_{j},\ldots,\lambda^{p}_{j+m_{\rho}-1} a group of the identified isolated eigenvalues of LL all converging to the same limit (as per Theorem 2 or Remark 4), the corresponding eigenspace is (asymptotically) the same as the eigenspace associated with the corresponding deterministic eigenvalue ρ\rho in the spectrum of PWTWP+UBUTPW^{\sf T}WP+UBU^{\sf T}. Denoting Π^ρ\hat{\Pi}_{\rho} a projector on the former eigenspace, we then have, by Cauchy’s formula and our approximation of Theorem 1,

for a small (positively oriented) closed path γρ\gamma_{\rho} circling around ρ\rho, this being valid for all large nn, almost surely.

Using matrix inversion lemmas, the right-hand side of (9) can be worked out and reduced to an expression involving the matrix GzG_{z} of Theorem 2. It then remains to perform a residue calculus on the final formulation which then leads to the following result.

Let Assumptions 1 and 2 hold and assume f′(τ)f^{\prime}(\tau) away from zero. Let also λjp,…,λj+mρ−1p\lambda^{p}_{j},\ldots,\lambda^{p}_{j+m_{\rho}-1} be a group of isolated eigenvalues of LL and ρ\rho the associated deterministic approximate (of multiplicity mρm_{\rho}) as per Theorem 2, and assume that ρ\rho is uniformly away from any other eigenvalue retrieved in Theorem 2. Further denote Π^ρ\hat{\Pi}_{\rho} the projector on the eigenspace of LL associated to these eigenvalues. Then,

Similarly, when f′(τ)→0f^{\prime}(\tau)\to 0, we obtain, with the same limiting approach as for Theorem 3, the following estimate.

Let Assumptions 1 and 2 hold and assume f′(τ)→0f^{\prime}(\tau)\to 0. Let λjp,…,λj+mρ−1p\lambda^{p}_{j},\ldots,\lambda^{p}_{j+m_{\rho}-1} be a group of isolated eigenvalues of LL and ρ0\rho^{0} the corresponding approximate (of multiplicity mρ0m_{\rho^{0}}) defined in Theorem 3, and assume that ρ0\rho^{0} is uniformly away from any other eigenvalue retrieved in Theorem 3. Further denote Π^ρ0\hat{\Pi}_{\rho^{0}} the projector on the eigenspace associated to these eigenvalues. Then,

almost surely, whereThere, Ξρ∘=lim⁡f′(τ)→0−2f′(τ)f(τ)Ξ−f(τ)ρ/(2f′(τ))\Xi_{\rho}^{\circ}=\lim_{f^{\prime}(\tau)\to 0}-\frac{2f^{\prime}(\tau)}{f(\tau)}\Xi_{-f(\tau)\rho/(2f^{\prime}(\tau))}.

Correspondingly to Remarks 4 and 5, we have the following complementary result for the isolated eigenvalues satisfying h(τ,ρ)→0h(\tau,\rho)\to 0.

In addition to Theorem 4, it can be shown (see the proof section) that, if ρ+\rho_{+} is an isolated eigenvalue as per Remark 4 having multiplicity one, then with similar notations as above

almost surely. The same holds for ρ+0\rho_{+}^{0} from Remark 5. As such, as far as spectral clustering is concerned, the eigenvectors forming the (dimension one) eigenspace Π^ρ+\hat{\Pi}_{\rho_{+}} cannot be used for unsupervised classification.

From this remark, we shall from now on adopt the following convention. The finitely many isolated eigenvalue-eigenvector pairs (ρi,u^i)(\rho_{i},\hat{u}_{i}) of LL, excluding those for which (at least on a subsequence) h(τ,ρ)→0h(\tau,\rho)\to 0, will be denoted in the order ρ1≥ρ2≥…\rho_{1}\geq\rho_{2}\geq\ldots, with possibly equal values of ρi\rho_{i}’s to account for multiplicity. In particular, u^1=D121n1nTD1n\hat{u}_{1}=\frac{D^{\frac{1}{2}}1_{n}}{\sqrt{1_{n}^{\sf T}D1_{n}}}. The eigenvalue-eigenvector pairs (ρ,u^)(\rho,\hat{u}) for which h(τ,ρ)→0h(\tau,\rho)\to 0 will no longer be listed.

Let us consider the case where ρ\rho is an isolated eigenvalue of unit multiplicity with associated eigenvector u^i\hat{u}_{i} (thus Π^ρ=u^iu^iT\hat{\Pi}_{\rho}=\hat{u}_{i}\hat{u}_{i}^{\sf T}). According to (8), we may now obtain the expression of α1i,…,αki\alpha_{1}^{i},\ldots,\alpha_{k}^{i} as follows:

1n1[JTu^iu^iTJ]11=∣α1i∣\sqrt{\frac{1}{n_{1}}[J^{\sf T}\hat{u}_{i}\hat{u}_{i}^{\sf T}J]_{11}}=|\alpha_{1}^{i}| allows the retrieval of α1i\alpha_{1}^{i} up to a sign shift. We may conventionally call this nonnegative value α1i\alpha_{1}^{i} (if this turns out to be zero, we may proceed similarly with entry (2,2)(2,2) instead).

for all 1<a≤k1<a\leq k, 1na[JTu^iu^iTJ]aa×sign([JTu^iu^iTJ]1a)\sqrt{\frac{1}{n_{a}}[J^{\sf T}\hat{u}_{i}\hat{u}_{i}^{\sf T}J]_{aa}}\times{\rm sign}([J^{\sf T}\hat{u}_{i}\hat{u}_{i}^{\sf T}J]_{1a}) provides αai\alpha_{a}^{i} up to a sign shift which is consistent with the aforementioned convention, and thus we may redefine αai=1na[JTu^iu^iTJ]aa×sign([JTu^iu^iTJ]1a)\alpha_{a}^{i}=\sqrt{\frac{1}{n_{a}}[J^{\sf T}\hat{u}_{i}\hat{u}_{i}^{\sf T}J]_{aa}}\times{\rm sign}([J^{\sf T}\hat{u}_{i}\hat{u}_{i}^{\sf T}J]_{1a}).

An alignment metric between the span of Π^ρ\hat{\Pi}_{\rho} and the sought-for subspace span(j1,…,jk){\rm span}(j_{1},\ldots,j_{k}) may be given by

with (c−1)i=1/ci(c^{-1})_{i}=1/c_{i} and corresponds in practice to the extent to which the eigenvectors of LL are close to linear combinations of the base vectors j1n1,…,jknk\frac{j_{1}}{\sqrt{n_{1}}},\ldots,\frac{j_{k}}{\sqrt{n_{k}}}.

Remark 11 may be straightforwardly applied to observe a peculiar (and of fundamental application reach) phenomenon, when M=0M=0, t=0t=0 and the kernel is such that f′(τ)→0f^{\prime}(\tau)\to 0.

If M=0M=0, t=0t=0, and f′(τ)→0f^{\prime}(\tau)\to 0, note that Gx0=h0(τ,x)Ik+Dτ,x0Γx0G^{0}_{x}=h^{0}(\tau,x)I_{k}+D^{0}_{\tau,x}\Gamma^{0}_{x} satisfies Gx0′=h0(τ,x)′h0(τ,x)Gx0Γx0−1x(h0(τ,x)Ik−Gx0)G^{0\prime}_{x}=\frac{h^{0}(\tau,x)^{\prime}}{h^{0}(\tau,x)}G^{0}_{x}\Gamma^{0}_{x}-\frac{1}{x}(h^{0}(\tau,x)I_{k}-G^{0}_{x}) (the rightmost term arising from Dτ,x0Γx=Gx0−h0(τ,x)IkD^{0}_{\tau,x}\Gamma_{x}=G^{0}_{x}-h^{0}(\tau,x)I_{k}), so that, for x=ρ0x=\rho^{0}, since (Vl,ρ00)TGρ00′=0(V_{l,\rho^{0}}^{0})^{\sf T}G_{\rho^{0}}^{0\prime}=0, we find that

almost surely. It shall also be seen through an example in Section 5 that this is no longer true in general if f′(τ)f^{\prime}(\tau) is away from zero. As such, there is an asymptotic perfect alignment in the regime under consideration if only TT is non vanishing, provided one takes f′(τ)→0f^{\prime}(\tau)\to 0. In this case, it is theoretically possible, as n,p→∞n,p\to\infty, to correctly cluster all but a vanishing proportion of the xix_{i}.

Remark 12 is somewhat unsettling at first look as it suggests the possibility to obtain trivial clustering by setting f′(τ)=0f^{\prime}(\tau)=0, under some specific statistical conditions. This is in stark contradiction with Assumption 1 which was precisely laid out so to avoid trivial behaviors. As a matter of fact, a thorough investigation of the conditions of Remark 12 was recently performed in our follow-up work [CK16], where it is shown that clustering becomes non-trivial if now 1ptr⁡Ca∘Cb∘\frac{1}{p}\operatorname{tr}C_{a}^{\circ}C_{b}^{\circ} is of order O(p−14)O(p^{-\frac{1}{4}}) rather than O(1)O(1). This conclusion, supported by conclusive simulations, explicitly says that classical clustering methods (based on the Gaussian kernel for instance) necessarily fail in the regime where ∥T∥=O(p−14)\|T\|=O(p^{-\frac{1}{4}}) while by taking f′(τ)=0f^{\prime}(\tau)=0 non-trivial clustering is achievable. This observation is used to provide a novel subspace clustering algorithm with applications in particular to wireless communications. See [CK16] for more details.

Let us now turn to the evaluation of the fluctuations and cross-fluctuations of the isolated eigenvectors of LL around their projections onto span(j1,…,jk){\rm span}(j_{1},\ldots,j_{k}). As far as inner fluctuations are concerned, first remark that, from Proposition 1, we already know the class-wise fluctuations of the eigenvector D121nD^{\frac{1}{2}}1_{n} (these are proportional to 1ptr⁡Ca2\frac{1}{p}\operatorname{tr}C_{a}^{2} for class Ca\mathcal{C}_{a}), and thus we may simply work on the remaining eigenvectors. We are then left to evaluating (i) the inner and cross fluctuations involving eigenvectors u^i\hat{u}_{i}, u^j\hat{u}_{j}, for i,j>1i,j>1 (ii may equal jj), and (ii) the cross fluctuations between u^1\hat{u}_{1} (that is (1nTDn)−12D121n(1_{n}^{\sf T}D_{n})^{-\frac{1}{2}}D^{\frac{1}{2}}1_{n}) and eigenvectors u^i\hat{u}_{i}, i>1i>1.

For readability, from now on, we shall use the shortcut notation Da≜D(ja)\mathcal{D}_{a}\triangleq\mathcal{D}(j_{a}). For case (i), to estimate

we need to evaluate u^iTDau^j\hat{u}_{i}^{\sf T}\mathcal{D}_{a}\hat{u}_{j}. However, u^iTDau^j\hat{u}_{i}^{\sf T}\mathcal{D}_{a}\hat{u}_{j} may not be directly estimated using a mere Cauchy integral approach as previously (unless i=ji=j for which alternative approaches exist). To work this around, we propose instead to estimate

Indeed, if u^i\hat{u}_{i} has a non-trivial projection onto span(j1,…,jk){\rm span}(j_{1},\ldots,j_{k}) (in the other case, u^i\hat{u}_{i} is of no interest to clustering), then there exists at least one index a∈{1,…,k}a\in\{1,\ldots,k\} for which 1pjaTu^i=cac0αai\frac{1}{p}j_{a}^{\sf T}\hat{u}_{i}=\frac{c_{a}}{c_{0}}\alpha_{a}^{i} is non zero. The same holds for u^j\hat{u}_{j}, and thus u^iTDau^j\hat{u}_{i}^{\sf T}\mathcal{D}_{a}\hat{u}_{j} can be retrieved by dividing a specific entry (m,l)(m,l) of (10) by the appropriate αmi\alpha_{m}^{i} and αlj\alpha_{l}^{j}.

with obvious notations and with Qz=(PWTWP+UBUT−zIn)−1\mathcal{Q}_{z}=\left(PW^{\sf T}WP+UBU^{\sf T}-zI_{n}\right)^{-1}.

For case (ii), note from Proposition 1 that, in the first order, u^1\hat{u}_{1} is essentially the vector 1nn\frac{1_{n}}{\sqrt{n}} of norm 11 plus fluctuations of norm O(n−12)O(n^{-\frac{1}{2}}). If one were to evaluate u^1TDau^i\hat{u}_{1}^{\sf T}\mathcal{D}_{a}\hat{u}_{i}, i>1i>1, as previously done, this would thus provide an inaccurate estimate to capture the cross-fluctuations. However, since the fluctuating part of u^1\hat{u}_{1} is well understood by Remark 8, and is in particular directly related to ψ\psi, defined in (7), we shall here estimate instead ψTDau^i\psi^{\sf T}\mathcal{D}_{a}\hat{u}_{i}, which can be obtained from ψTDau^iu^iTJp\psi^{\sf T}\mathcal{D}_{a}\hat{u}_{i}\hat{u}_{i}^{\sf T}\frac{J}{\sqrt{p}}, the latter being in turn obtained, in case of unit multiplicity, from

Before presenting our results, we need an additional technical result, mostly borrowed from our companion article [BC16].

Under the conditions and notations of Lemma 1, for z1,z2z_{1},z_{2} (sequences of) complex numbers at macroscopic distance from the eigenvalues of PWTWPPW^{\sf T}WP, as n→∞n\to\infty,

In particular, as a consequence of Lemma 2, we have the following identities

The matrix Rz1z2R^{z_{1}z_{2}} is strongly related to the derivative of the ga(z)g_{a}(z)’s. In particular, we have that

With this lemma at hand, we are in position to introduce the following class-wise fluctuation results.

Under the setting and notations of Theorem 4, as n→∞n\to\infty,

Under the setting and notations of Theorem 5, as n→∞n\to\infty,

with [Ea;z1z20;J]ij≜cac01z1z2δiaδja[E_{a;z_{1}z_{2}}^{0;J}]_{ij}\triangleq\frac{c_{a}}{c_{0}}\frac{1}{z_{1}z_{2}}{\bm{\delta}}_{ia}{\bm{\delta}}_{ja} and Ea;z1z20;ψ≜cac02ptr⁡Ca21z1z2E_{a;z_{1}z_{2}}^{0;\psi}\triangleq\frac{c_{a}}{c_{0}}\frac{2}{p}\operatorname{tr}C_{a}^{2}\frac{1}{z_{1}z_{2}}.

These results are much more involved than those previously obtained and do not lead themselves to much insight. Nonetheless, we shall see in Section 5 that this greatly simplifies when considering special application cases.

For i,j>1i,j>1, from the convention on the signs of u^i\hat{u}_{i} and u^j\hat{u}_{j} given by Remark 10, we get immediately that

for any index b,d∈{1,…,k}b,d\in\{1,\ldots,k\} for which αbi,αdj≠0\alpha_{b}^{i},\alpha_{d}^{j}\neq 0, with in particular (σai)2=σaii(\sigma_{a}^{i})^{2}=\sigma_{a}^{ii}. As for the case i=1i=1, j>1j>1, corresponding to u^1=(1nTD1n)−12D121n\hat{u}_{1}=(1_{n}^{\sf T}D1_{n})^{-\frac{1}{2}}D^{\frac{1}{2}}1_{n}, we may similarly impose the convention that 1nTu^1>01_{n}^{\sf T}\hat{u}_{1}>0 (for all large nn), which is easily ensured as u^1=1nn+o(1)\hat{u}_{1}=\frac{1_{n}}{\sqrt{n}}+o(1) almost surely. Then we find that

again for all d∈{1,…,k}d\in\{1,\ldots,k\} for which αdj≠0\alpha_{d}^{j}\neq 0.

An illustration of the application of the results of Sections 4.2.1 and 4.2.2 to determine the class-wise means, fluctuations, and cross-fluctuations of the eigenvectors, as discussed in the early stage of Section 4.2, is depicted in Figure 5. There, under the same setting as in Figure 4 (that is, three classes with various means and covariances under Gaussian kernel), we display in class-wise colored crosses the nn couples ([u^i]a,[u^j]a)([\hat{u}_{i}]_{a},[\hat{u}_{j}]_{a}), a=1,…,na=1,\ldots,n, for the ii-th and jj-th dominant eigenvectors u^i\hat{u}_{i} and u^j\hat{u}_{j} of LL. The left figure is for (u^1,u^2)(\hat{u}_{1},\hat{u}_{2}) and the right figure for (u^2,u^3)(\hat{u}_{2},\hat{u}_{3}). On top of these values are drawn the ellipses corresponding to the one- and two-dimensional standard deviations of the fluctuations, obtained from the covariance matrix [(σi)a2(σij)a(σij)a(σj)a2]\left[\begin{smallmatrix}(\sigma_{i})_{a}^{2}&(\sigma_{ij})_{a}\\ (\sigma_{ij})_{a}&(\sigma_{j})_{a}^{2}\end{smallmatrix}\right].

In order to get a precise understanding of the behavior of the spectral clustering based on LL, we shall successively constrain the conditions of Assumption 1 so to obtain meaningful results.

Special cases

The results obtained in Section 4 above are particularly difficult to analyze for lack of tractability of the functions g1(z),…,gk(z)g_{1}(z),\ldots,g_{k}(z) (even though from a numerical point of view, these can be accurately estimated as the output of a provably converging fixed point algorithm; see [BC16]). In this section, we shall consider three scenarios for which all ga(z)g_{a}(z) assume a constant value:

We first assume C1=⋯=CkC_{1}=\cdots=C_{k}. In this setting, only MM can be discriminated over for spectral clustering. We shall show that, in this case, up to k−1k-1 isolated eigenvalues can be found in-between each pair of connected components in the limiting support of the empirical spectrum of PWTWPPW^{\sf T}WP, in addition to the isolated eigenvalue nn. But more importantly, we shall show that, as long as f′(τ)f^{\prime}(\tau) is away from zero, the kernel choice is asymptotically irrelevant (so one may take f(x)=xf(x)=x with the same asymptotic performance for instance).

Next, we shall consider μ1=⋯=μk\mu_{1}=\cdots=\mu_{k} and take Ca=(1+p−1/2γa)CC_{a}=(1+p^{-1/2}\gamma_{a})C for some fixed γ1,…,γk\gamma_{1},\ldots,\gamma_{k}. This ensures that TT vanishes and thus only tt can be used for clustering. There we shall surprisingly observe that a maximum of two isolated eigenvalues altogether can be found in the limiting spectrum and that u^1\hat{u}_{1} (associated with eigenvalue nn) and the hypothetical u^2\hat{u}_{2} are extremely correlated. This indicates here that clustering can be asymptotically performed based solely on u^1\hat{u}_{1}.

Finally, to underline the effect of TT alone, we shall enforce a model in which μ1=⋯=μk\mu_{1}=\cdots=\mu_{k}, n1=⋯=nk=n/kn_{1}=\cdots=n_{k}=n/k, and CaC_{a} is of the form D⁡(D1,…,D1,D2,D1,…,D1)\operatorname{\mathcal{D}}(D_{1},\ldots,D_{1},D_{2},D_{1},\ldots,D_{1}) with D2D_{2} in the aa-th position. There we shall observe that the hypothetical eigenvalues have multiplicity k−1k-1, thus precluding a detailed eigenvector analysis.

Assume that for all aa, Ca=CC_{a}=C (which we may further relax by merely requiring that t→0t\to 0 and T→0T\to 0 in the large pp limit). For simplicity of exposition, we shall require in that case the following.

As p→∞p\to\infty, the empirical spectral measure 1p∑i=1pδλi(C)\frac{1}{p}\sum_{i=1}^{p}{\bm{\delta}}_{\lambda_{i}(C)} converges weakly to ν\nu. Besides,

This assumption ensures, along with the results from [SC95] and [BS98], that g1(z),…,gk(z)g_{1}(z),\ldots,g_{k}(z) all converge towards a unique g(z)g(z), solution to the implicit equation

In this setting, only the matrix MM can be discriminated upon to perform clustering and thus we need to take here f′(τ)f^{\prime}(\tau) away from zero to obtain meaningful results which, since τ→2∫uν(du)\tau\to 2\int u\nu(du), merely requires that f′(2∫uν(du))≠0f^{\prime}(2\int u\nu(du))\neq 0. Starting then from Theorem 2 and using the fact that Mc=0Mc=0, we get

withThe o(1)o(1) term accounts for g(z)g(z) being here a limiting quantity rather than a finite pp deterministic equivalent.

The values of ρ∈S′=S∪{ρ;h(τ,ρ)=0}\rho\in\mathcal{S}^{\prime}=\mathcal{S}\cup\{\rho;h(\tau,\rho)=0\} for which GρG_{\rho} (asymptotically) has zero eigenvalues are such that Ik+MT[Ip+g(ρ)C]−1MD⁡(c)I_{k}+M^{\sf T}\left[I_{p}+g(\rho)C\right]^{-1}M\operatorname{\mathcal{D}}(c) is singular. By Sylverster’s identity, this is equivalent to looking for such ρ\rho satisfying

A visual representation of x(g)x({\bf g}) is provided in Figure 6. Now, since Mc=0Mc=0, MM has maximum rank k−1k-1 and thus, by Weyl’s interlacing inequalities and Assumption 3, there asymptotically exist up to k−1k-1 isolated eigenvalues in-between each connected component of supp(ν){\rm supp}(\nu).

Additionally, since t=0t=0, as per Remark 4, if there exists ρ+\rho_{+} away from S\mathcal{S} such that h(τ,ρ+)=0h(\tau,\rho_{+})=0, that is for which −g(ρ+)−1=(5f′(τ)4f(τ)−f′′(τ)f′(τ))∫u2ν(du)-g(\rho_{+})^{-1}=\left(\frac{5f^{\prime}(\tau)}{4f(\tau)}-\frac{f^{\prime\prime}(\tau)}{f^{\prime}(\tau)}\right)\int u^{2}\nu(du), then an additional isolated eigenvalue of LL may be found.

Gathering the above, we thus have the following corollary of Theorem 2.

then there exists an isolated eigenvalue of LL, which is asymptotically well approximated by −2f′(τ)f(τ)ρji+f(0)−f(τ)+τf′(τ)f(τ)-\frac{2f^{\prime}(\tau)}{f(\tau)}\rho_{j}^{i}+\frac{f(0)-f(\tau)+\tau f^{\prime}(\tau)}{f(\tau)}, where

there is an additional corresponding isolated eigenvalue in the spectrum of LL given by −2f′(τ)f(τ)ρ++f(0)−f(τ)+τf′(τ)f(τ)-\frac{2f^{\prime}(\tau)}{f(\tau)}\rho_{+}+\frac{f(0)-f(\tau)+\tau f^{\prime}(\tau)}{f(\tau)} with

These and nn characterize all the isolated eigenvalues of LL.

As a further corollary, for C=βIpC=\beta I_{p}, we obtain

which is a classical separability condition in standard spiked models [J01, BBP05, P07].

Before interpreting this result, let us next characterize the eigenvectors associated to these eigenvalues. The eigenvector attached to the eigenvalue nn is D121nD^{\frac{1}{2}}1_{n} and has already been analyzed and carries no information since t=0t=0. We also know that the hypothetical eigenvalue ρ+\rho_{+} does not carry any relevant clustering information. We are then left to study the eigenvalues ρji\rho_{j}^{i}. For those (assuming they remain distant from one another),

almost surely, where ρ=ρji\rho=\rho_{j}^{i} is understood to be any of the ρji\rho_{j}^{i} eigenvalues from Corollary 1. It is easier here to use the fact that Gˉρ≜GρD⁡(c−1)\bar{G}_{\rho}\triangleq G_{\rho}\operatorname{\mathcal{D}}(c^{-1}) is symmetric with Vρ≜D⁡(c−1)Vr,ρ=Vl,ρV_{\rho}\triangleq\operatorname{\mathcal{D}}(c^{-1})V_{r,\rho}=V_{l,\rho} as eigenvectors for its mρm_{\rho} zero eigenvalues. Thus

Regarding fluctuations, note that the leftmost inverse matrix (Ik−Ωz1z2)−1(I_{k}-\Omega^{z_{1}z_{2}})^{-1} in the definition of Rz1z2R^{z_{1}z_{2}} (Lemma 2) is merely a rank-one perturbation of the identity matrix, so that, after basic algebraic manipulations, we obtain

A careful (but straightforward) development of all the terms in Theorem 6, using the already made remarks, then allows one to obtain the following spectral clustering analysis for the setting under present concern.

It is interesting to note, from Corollary 1 and Corollary 2, that all expressions of the relevant quantities in this setting are here completely explicit. This allows for easy interpretations of the results. Quite a few remarks can in particular be made.

From the results of Corollaries 1 and 2, it appears that, aside from the hypothetical isolated eigenvalue ρ+\rho_{+} (the eigenvector of which carries in any case no information), when Ca=CC_{a}=C for all a∈{1,…,k}a\in\{1,\ldots,k\}, the choice of the kernel function ff is asymptotically of no avail, so long that f′(τ)↛0f^{\prime}(\tau)\not\to 0. This can be interpreted in practice by the fact that, since the data xix_{i} are linearly separable and that no difference aside location metrics can be exploited to discriminate them, the so-called “kernel trick”, which projects the data on a high dimensional space to improve separability, does not provide any additional gain for clustering.

Even though ν\nu would have unbounded support, (13) allows isolated eigenvalue-eigenvector pairs to emerge in-between successive clusters of eigenvalues and carry relevant clustering information, however necessarily with imperfect alignment to j1,…,jkj_{1},\ldots,j_{k}. This disrupts from the standard assumption that only extreme eigenvectors may be exploited for spectral clustering.

Similar to previously, we shall place ourselves for simplicity under Assumption 3. Although not necessary, it shall also be simpler to assume C∘=CC^{\circ}=C (which is always possible up to modifying C,γ1,…,γkC,\gamma_{1},\ldots,\gamma_{k}).And again, we may here relax these assumptions further by merely requiring that M→0M\to 0 and T→0T\to 0. In this case, both scenarios f′(τ)f^{\prime}(\tau) away or converging to zero are of interest. Let us focus first on the former. There GzG_{z} reduces to

It is easily checked that the former value, corresponding to h(τ,ρ)=0h(\tau,\rho)=0, does not bring a zero eigenvalue in HρH_{\rho} and thus, as per Remark 4, does not map an isolated eigenvalue of LL.

Assuming now f′(τ)→0f^{\prime}(\tau)\to 0, a similar derivation leads to either ρ0=2f′′(τ)f(τ)∫u2ν(du)\rho^{0}=\frac{2f^{\prime\prime}(\tau)}{f(\tau)}\int u^{2}\nu(du), which corresponds to h0(τ,ρ0)=0h^{0}(\tau,\rho^{0})=0, hence not a solution, or to

These results can then be gathered as follows.

there exists an isolated eigenvalue in the spectrum of LL with value −2f′(τ)f(τ)ρ+f(0)+f(τ)−τf′(τ)f(τ)-2\frac{f^{\prime}(\tau)}{f(\tau)}\rho+\frac{f(0)+f(\tau)-\tau f^{\prime}(\tau)}{f(\tau)} where

This value, along with nn are all the isolated eigenvalues of LL. Otherwise, if f′(τ)→0f^{\prime}(\tau)\to 0, then the non-zero spectrum of LL is composed of the eigenvalue nn and the eigenvalue ρ0+f(0)+f(τ)f(τ)\rho^{0}+\frac{f(0)+f(\tau)}{f(\tau)} with

and, similarly, for f′(τ)→0f^{\prime}(\tau)\to 0,

The result of Corollary 3 is quite surprising when compared to Corollary 1. Indeed, while the latter allowed for up to k−1k-1 isolated eigenvalues to be found outside S′\mathcal{S}^{\prime}, here a maximum of one eigenvalue is available, irrespective of CC. This state of fact is obviously linked to ttTtt^{\sf T} being of unit rank while MMTMM^{\sf T} can be of rank up to k−1k-1. For practical purposes, there being no information diversity, the clustering task is increasingly difficult to achieve as kk increases. But this becomes even worse when considering the cross-correlations between D121nD^{\frac{1}{2}}1_{n} and (the hypothetical) eigenvector u^\hat{u} associated with ρ\rho. Precisely, after some calculus, we obtain the counter-part of Corollary 2 as follows.

This leads us to the following important remark.

Figure 8 provides an interpretation of Remark 19, by visually comparing the results of Section 5.3 and Section 5.2. Precisely here, we see, for the same choice of a kernel (tailored so that both cases exhibit the required number of informative eigenvectors), the distribution of the eigenvectors in the present scenario is quite concentrated along a one-dimensional direction, whereas the former scenario of different μa\mu_{a}’s exhibits a well scattered distribution for the data on the two-dimensional plane.Note that we voluntarily considered a quite noisy scenario by setting Ca=(1+2(a−1)p)IpC_{a}=(1+\frac{2(a-1)}{p})I_{p}, hence γa2=4(a−1)2\gamma_{a}^{2}=4(a-1)^{2}; using larger values for γa2\gamma_{a}^{2} rapidly leads γa2\gamma_{a}^{2} to be close to p\sqrt{p} for p=2048p=2048, hence providing undesired approximation errors.

This setting ensures that all gig_{i}’s are identical and are asymptotically equivalent, under Assumption 4, to the implicitly defined

In this scenario, M=0M=0 and t=0t=0, so that only TT can be used to perform data clustering. Precisely, we have

Letting first f′(τ)↛0f^{\prime}(\tau)\not\to 0, it is rather immediate to apply Theorem 2 in which

The case f′(τ)→0f^{\prime}(\tau)\to 0 is handled similarly.

Then nn, ρ0+f(0)−f(τ)f(τ)\rho^{0}+\frac{f(0)-f(\tau)}{f(\tau)} (with multiplicity k−1k-1) and ρ+0+f(0)−f(τ)f(τ)\rho_{+}^{0}+\frac{f(0)-f(\tau)}{f(\tau)} form the asymptotic isolated spectrum of LL.

In terms of eigenvectors, the result is also quite immediate from the form of GzG_{z} and we have the following result.

Under the assumptions and notations of Corollary 5, if f′(τ)↛0f^{\prime}(\tau)\not\to 0, 1pJTΠ^ρ+J=o(1)\frac{1}{p}J^{\sf T}\hat{\Pi}_{\rho_{+}}J=o(1) while

If instead f′(τ)→0f^{\prime}(\tau)\to 0, 1pJTΠ^ρ+0J=o(1)\frac{1}{p}J^{\sf T}\hat{\Pi}_{\rho^{0}_{+}}J=o(1) and

From Corollary 6, we then now have, for f′(τ)≠0f^{\prime}(\tau)\neq 0

which is all the closer to k−1k-1 that f′′(τ)f′(τ)\frac{f^{\prime\prime}(\tau)}{f^{\prime}(\tau)} is small or that 1ptr⁡((D1−D2)2)\frac{1}{p}\operatorname{tr}\left((D_{1}-D_{2})^{2}\right) is large (for a given tr⁡((k−1)D1+D2)\operatorname{tr}((k-1)D_{1}+D_{2})). Thus, here the Frobenius norm of D1−D2D_{1}-D_{2} is the discriminative attribute. For f′(τ)→0f^{\prime}(\tau)\to 0, we obtain simply tr⁡D⁡(c−1)1nJTΠ^ρJ=(k−1)+o(1)\operatorname{tr}\operatorname{\mathcal{D}}(c^{-1})\frac{1}{n}J^{\sf T}\hat{\Pi}_{\rho}J=(k-1)+o(1), hence a perfect alignment to j1,…,jkj_{1},\ldots,j_{k}, consistently with Remark 12.

Concluding Remarks

Echoing Remarks 2 and 7, one important practical outcome of our study lies in the observation that clustering can be performed selectively on either MM, tt, or TT by properly setting the kernel function ff. That is, assume the following hierarchical scenario in which a superclass Ci\mathcal{C}_{i} is identified via a constant mean μi\mu_{i} but different subclasses of covariances Ci,jC_{i,j}, j=1,…,ikj=1,\ldots,i_{k} for some iki_{k}. If the objective is to discriminate only the superclasses and not each individual class, then one may design ff in such a way that both 5f′(τ)8f(τ)−f′′(τ)2f′(τ)\frac{5f^{\prime}(\tau)}{8f(\tau)}-\frac{f^{\prime\prime}(\tau)}{2f^{\prime}(\tau)} and f′′(τ)f′(τ)\frac{f^{\prime\prime}(\tau)}{f^{\prime}(\tau)} are sufficiently small. Alternatively, if differences in mean appear due to an improper centering of the data, and that the relevant information is carried in the covariance structure, then it is useful to take f′(τ)=0f^{\prime}(\tau)=0. This may be useful in image classification for images with different lightness and contrast.

These considerations however assume the possibility to tailor the function ff according to the value taken by its successive derivatives at τ\tau. To ensure this is possible, note that, under Assumption 1,

and it is thus possible to consistently estimate τ\tau and, hence, to design ff to one’s purposes.

A further practical consideration arises when it comes to selecting a kernel function that may engender negative or large positive values (such as with polynomial kernels). While theoretically valid on Gaussian inputs, for robustness reasons in practical scenarios, it seems appropriate to rather consider more stable families of kernels such as generalized Gaussian kernels of the type f(t)=aexp⁡(−b(t−c)2)f(t)=a\exp(-b(t-c)^{2}) (which can be tuned to meet the derivative constraints).

2. Extension to non-Gaussian settings

The present work strongly relies (mostly for mathematical tractability) on the Gaussian assumption on the data xix_{i}. Nonetheless, as is often the case in random matrix theory, the results can be generalized to some extent beyond the Gaussian assumption. In particular, assume now that, for xix_{i} in class Ca\mathcal{C}_{a}, we take xi=μa+Ca12zix_{i}=\mu_{a}+C_{a}^{\frac{1}{2}}z_{i}, where ziz_{i} is a random vector with independent zero mean unit variance entries zijz_{ij} having at least finite kurtosis κ≜E[zij4]−3\kappa\triangleq{\rm E}[z_{ij}^{4}]-3. Then our results may be generalized by noticing that

almost surely, for xix_{i} in class Ca\mathcal{C}_{a}, with diag(C){\rm diag}(C) the operator which sets to zero all off-diagonal elements of CC. Since κ≥−2\kappa\geq-2, the right-hand term can take any nonnegative value, which shall impact (positively or negatively) the detectability. In particular, this will impact the performances of both scenarios where M=0M=0 studied in Section 5.

Moving to more general statistical models requires to completely rework the proof of all theorems. An interesting choice for the law of xix_{i}, modelling heavy tailed distributions, are elliptical laws with different location and scatter matrices according to classes. These have been widely studied in the recent random matrix literature [K09, CPS15]. In this case, xix_{i} can be written under the form xi=tiCa1/2zix_{i}=\sqrt{t_{i}}C_{a}^{1/2}z_{i} with ziz_{i} uniformly distributed on the pp-dimensional sphere and ti>0t_{i}>0 a scalar independent of ziz_{i}. By a similar concentration of measure argument, it is expected that ∥xi−xj∥2\|x_{i}-x_{j}\|^{2} shall now converge to (ti+tj)τ(t_{i}+t_{j})\tau instead of τ\tau. This implies that the kernel function ff will be exploited beyond its value at τ\tau, opening a wide scope of theoretical and applied investigation. Such considerations are left to future work.

3. On the growth rate

To better understand our data setting, it is interesting to recall the intuition of Ng–Jordan–Weiss spelled out earlier in Section 1. In a perfectly discriminable setting and for an appropriate choice of ff, LL would have kk eigenvalues equal to nn with associated eigenspace the span of {j1,…,jk}\{j_{1},\ldots,j_{k}\} while all other eigenvalues would typically remain of order O(1)O(1). When the data become less discriminable, k−1k-1 of these eigenvalues will become smaller with associated eigenvectors only partially aligning to {j1,…,jk}\{j_{1},\ldots,j_{k}\}. This remains valid until the k−1k-1 eigenvalues become so small that they merge with the remaining spectrum. This therefore places our study at the cluster detectability limit beyond which clustering becomes (asymptotically) theoretically infeasible. Theorem 2 thus provides here the necessary and sufficient conditions for asymptotic detectability of classes in the Gaussian data setting, which are made explicit in Section 5 in several simple scenarios.

Proofs

As far as multidimensional objects are concerned, let us make the notation O( ⋅ )O(\,\cdot\,) a bit more precise.

When vv is a vector or a diagonal matrix, v=O(un)v=O(u_{n}) means that the maximal entry of vv in absolute value is O(un)O(u_{n}).

When MM is a square matrix, M=O(un)M=O(u_{n}) means that the operator norm of MM is O(un)O(u_{n}).

When MM is a square matrix, we shall write M=O1n(un)M=O_{1_{n}}(u_{n}) when the operator norm of MM is O(un)O(u_{n}) and the vector M1nM1_{n} is O(un)O(u_{n}) in the sense defined above.

At last, for xx a vector or a matrix, x=o(un)x=o(u_{n}) means that there is α>0\alpha>0 such that x=O(n−αun)x=O(n^{-\alpha}u_{n}).

Note that definition c) below is quite surprising, as ∥1n∥=n\|1_{n}\|=\sqrt{n}, but is in fact perfectly adapted to our context, where we have some matrix error terms which, thanks to some classical probabilistic phenomena, are of smaller order when observed through the vector 1n1_{n} than through their maximal eigenvector.

Note also that for M=[mij]i,j=1nM=[m_{ij}]_{i,j=1}^{n} a random matrix, as ∥M∥2≤tr⁡MM∗\|M\|^{2}\leq\operatorname{tr}MM^{*}, we have

In the remainder of the proof, to make our expressions shorter and more readable, we shall regularly use the following conventions. Matrices will be indexed by blocks according to the partition C1,…,Ck\mathcal{C}_{1},\ldots,\mathcal{C}_{k}, with (a,b)(a,b) being used for block aa in rows and bb in columns. In particular

2. Proof of Theorem 1

The main idea of the proof is to exploit the fact that, due to pp going to infinity, all off-diagonal entries of KK converge to the same limit in the regime of Assumption 1, which we shall demonstrate in the course of the proof to be the only non-trivial one. This will allow us to Taylor-expand each entry of KK to two non-vanishing orders, whereby “non-vanishing” means that the full matrix contribution (and not only its individual entries) in this order expansion has non-vanishing operator norm. It shall in particular appear that, while on the onset one may assume that higher Taylor orders ought to contribute less than smaller orders, the structure of the full matrix expansions underlies a more subtle reasoning.

To start, we shall operate a seemingly irrelevant centering operation on the xix_{i}’s which shall considerably help simplifying the proof. Precisely, it will turn out convenient in the following to systematically recenter the vectors xix_{i} and wiw_{i} around their empirical mean. As such, we shall define, for i=1,…,ni=1,\ldots,n,

and W∘≜[w1∘,…,wn∘]=WPW^{\circ}\triangleq[w^{\circ}_{1},\ldots,w^{\circ}_{n}]=WP.

This centering procedure leads naturally one to introduce τ∘=n+1n2ptr⁡C∘=τ+O(n−1)\tau^{\circ}=\frac{n+1}{n}\frac{2}{p}\operatorname{tr}C^{\circ}=\tau+O(n^{-1}), i.e., the expected value of ∥wi∘∥2\|w_{i}^{\circ}\|^{2}, as well as ψ∘\psi^{\circ} defined by ψi∘=∥wi∘∥2−E[∥wi∘∥2]=ψi+o(n−1)\psi_{i}^{\circ}=\|w_{i}^{\circ}\|^{2}-{\rm E}[\|w_{i}^{\circ}\|^{2}]=\psi_{i}+o(n^{-1}).

Using the fact that wj−wi=wj∘−wi∘w_{j}-w_{i}=w_{j}^{\circ}-w_{i}^{\circ}, we have, for xi∈Cax_{i}\in\mathcal{C}_{a} and xj∈Cbx_{j}\in\mathcal{C}_{b},

It is easy to see, using for example Lemmas 3 and 4, that

Let us then Taylor-expand f(1p∥xj−xi∥2)f(\frac{1}{p}\|x_{j}-x_{i}\|^{2}) around τ∘\tau^{\circ} and control, in operator norm, the order of each resulting matrix term in

First, by (20), (19) allows one to claim that the error term of the entry-wise Taylor expansion will give rise to an error term, in KK, with operator norm O(n−1/2)O(n^{-1/2}). Following this argument, let us precisely identify the non-vanishing terms in the Taylor expansion of KK. By (19), the terms associated with the entries F2,G2F^{2},G^{2}, (A+B+C+D+E)(F+G)(A+B+C+D+E)(F+G) and (A+B+C+D)E(A+B+C+D)E will all give rise to a O1n(n−1/2)O_{1_{n}}(n^{-1/2}) error term. Besides, similar to (20), we get

where we denoted Wa≜[wn1+⋯+na−1+1,…,wn1+⋯+na]W_{a}\triangleq[w_{n_{1}+\cdots+n_{a-1}+1},\ldots,w_{n_{1}+\cdots+n_{a}}] the restriction of WW to class Ca\mathcal{C}_{a} elements, (ψ∘)2≜[(ψ∘)12,…,(ψ∘)n2]T(\psi^{\circ})^{2}\triangleq[(\psi^{\circ})^{2}_{1},\ldots,(\psi^{\circ})^{2}_{n}]^{\sf T}, and we recall that t={1ptr⁡Ca∘}a=1kt=\{\frac{1}{\sqrt{p}}\operatorname{tr}C_{a}^{\circ}\}_{a=1}^{k}.

We shall now differentiate the study of the cases f′(τ∘)f^{\prime}(\tau^{\circ}) away from zero and f′(τ∘)→0f^{\prime}(\tau^{\circ})\to 0.

As a consequence of the above, under the assumption that f′(τ∘)≠0f^{\prime}(\tau^{\circ})\neq 0, we may write

where VV is the n×(2k+4)n\times(2k+4) matrix defined by

and A≜An+An+A1A\triangleq A_{n}+A_{\sqrt{n}}+A_{1}, with AnA_{n}, AnA_{\sqrt{n}} and A1A_{1} are the symmetric matrices

The division of AA into AnA_{n}, AnA_{\sqrt{n}}, and A1A_{1} is obviously related here to the fact that AnA_{n} has operator norm O(n)O(n), AnA_{\sqrt{n}} has operator norm O(n)O(\sqrt{n}), while A1A_{1} is of order O(1)O(1). It is already interesting to note that, from the result above, KK is asymptotically equivalent to a type of spiked models in the sense that VAVTVAV^{\sf T} is of finite rank and is summed up to PWTWPPW^{\sf T}WP which, under reasonable conditions, does not exhibit spikes by itself.

We next address the expansion of n−1D=n−1D⁡(K1n)n^{-1}D=n^{-1}\operatorname{\mathcal{D}}(K1_{n}). For this, using Equation (21) and the convention for O1n( ⋅ )O_{1_{n}}(\,\cdot\,), we write

We shall importantly use in what follows the fact that P1n=0P1_{n}=0 which shall help discard quite a few terms (and which is the main motivation for centering xix_{i} and wiw_{i} in the first place).

Let us first provide estimates for the quantities involving AA and VV that we shall develop. In particular, with the estimate

Besides, applying 1nT1_{n}^{\sf T} to the above estimates gives

Finally, recalling that WWT=1p∑a=1kCa12ZaZaTCa12WW^{\sf T}=\frac{1}{p}\sum_{a=1}^{k}C_{a}^{\frac{1}{2}}Z_{a}Z_{a}^{\sf T}C_{a}^{\frac{1}{2}}, with ∥Ca∥\|C_{a}\| bounded and ZaZ_{a} standard Gaussian independent across kk, we get from [BS98] that ∥WWT∥≤∑a=1k∥Ca12ZaZaTCa12∥=O(1)\|WW^{\sf T}\|\leq\sum_{a=1}^{k}\|C_{a}^{\frac{1}{2}}Z_{a}Z_{a}^{\sf T}C_{a}^{\frac{1}{2}}\|=O(1).

Getting back to n−1Dn^{-1}D, with the above estimates, identifying D⁡(VAnVT1n)=−f(τ∘)2f′(τ∘)In\operatorname{\mathcal{D}}(VA_{n}V^{\sf T}1_{n})=-\frac{f(\tau^{\circ})}{2f^{\prime}(\tau^{\circ})}I_{n} as the leading order term, we have

where D⁡2\operatorname{\mathcal{D}}^{2} stands for the squared diagonal matrix.

With the Taylor expansions of KK and D−12D^{-\frac{1}{2}} in hand, we may now obtain the Taylor expansion of their left- and right-products, so to retrieve that of LL. Using the sub-multiplicativity of the operator norm, we precisely find from (21) and (23)

With the same strategy, we then have finally

At this point, it is worth mentioning that, although absolutely not fathomable from the expression above, computer simulations suggest that the spectrum of L=nD−12KD−12L=nD^{-\frac{1}{2}}KD^{-\frac{1}{2}} is composed of an isolated eigenvalue of magnitude O(n)O(n) and importantly of n−1n-1 eigenvalues of order O(1)O(1). Nonetheless, surprisingly at first, the above approximation of LL still contains terms of order O(n)O(\sqrt{n}); this is explained by the fact that those terms result from the Taylor expansion of the leading eigenspace of dimension one. Fortunately, we precisely know the leading eigenvector of LL to be D121nD^{\frac{1}{2}}1_{n}, and thus we may project LL orthogonally to it without affecting the eigenvalue-eigenvector pairs, but for this single isolated eigenvector. This will allow us to retrieve a matrix, L′L^{\prime}, the eigenvalues of which are expected to be all of order O(1)O(1).

Let us start by evaluating the vector D121nD^{\frac{1}{2}}1_{n} (which is simply the diagonal matrix D12D^{\frac{1}{2}} turned to a vector). We have

Then, applying 1nT1_{n}^{\sf T} and 1n1_{n} on each side of DD (or alternatively, taking the squared norm of the above), we get

From the above and the previously derived expression of L=nD−12KD−12L=nD^{-\frac{1}{2}}KD^{-\frac{1}{2}}, we finally retrieve the expression for L′=nD−12KD−12−nD121n1nD121n′D1nL^{\prime}=nD^{-\frac{1}{2}}KD^{-\frac{1}{2}}-n\frac{D^{\frac{1}{2}}1_{n}1_{n}D^{\frac{1}{2}}}{1_{n}^{\prime}D1_{n}}. Before proceeding to the full calculus, let us focus on the terms of operator norm of order nn and n\sqrt{n}.

The only term of order nn arises from −2f′(τ)VAnV′=f(τ)1n1n′-2f^{\prime}(\tau)VA_{n}V^{\prime}=f(\tau)1_{n}1_{n}^{\prime}, which is present in both LL and nD121n1nD121n′D1nn\frac{D^{\frac{1}{2}}1_{n}1_{n}D^{\frac{1}{2}}}{1_{n}^{\prime}D1_{n}} and thus vanishes in L′L^{\prime}. More interesting are the terms of order n12n^{\frac{1}{2}}. These sum in L′L^{\prime} as

We thus obtain a first conclusion, which corroborate the aforementioned simulations results, about the spectrum of L′L^{\prime} being almost surely of operator norm O(1)O(1). And thus, the spectrum of LL is composed of an isolated eigenvalue equal to nn and of n−1n-1 remaining eigenvalues of order O(1)O(1).

Let us now clarify the resulting expression for L′L^{\prime}. Although the terms to be considered are apparently numerous, similar to KK, they all contribute to a small rank matrix but for PWTWPPW^{\sf T}WP, and thus we shall write

for a small rank perturbation matrix UBUTUBU^{\sf T}, BB symmetric, with importantly O(1)O(1) operator norm. As such, note already that, since τ∘=τ+o(1)\tau^{\circ}=\tau+o(1) and ψi∘=ψi+o(n−1)\psi^{\circ}_{i}=\psi_{i}+o(n^{-1}), we may freely replace τ∘\tau^{\circ} by τ\tau and ψi∘\psi^{\circ}_{i} by ψi\psi_{i} in what follows, to the expanse of o(1)o(1) in operator norm. We shall use this simpler notation from now on.

With this remark in mind, let us establish minimal descriptions for UU and BB. After development of the remaining subparts of LL, excluding the term proportional to PWTWPPW^{\sf T}WP, we obtain

and for the remaining subparts of nD121n1nTD121nTD1nn\frac{D^{\frac{1}{2}}1_{n}1_{n}^{\sf T}D^{\frac{1}{2}}}{1_{n}^{\sf T}D1_{n}},

Altogether, recalling the notations ca=nanc_{a}=\frac{n_{a}}{n}, c={ca}a=1kc=\{c_{a}\}_{a=1}^{k}, and c0=pnc_{0}=\frac{p}{n}, this is finally

This concludes the proof for the case where f′(τ∘)f^{\prime}(\tau^{\circ}) is away from zero.

Reproducing similar step as above (without factoring f′(τ∘)f^{\prime}(\tau^{\circ}) in both AnA_{n} and AnA_{\sqrt{n}}), when f′(τ∘)→0f^{\prime}(\tau^{\circ})\to 0, we have the simpler following expression (which happens to correspond to the f′(τ)→0f^{\prime}(\tau)\to 0 limit of the previous formula).

3. Proof of Proposition 1

Recall from our previous computations that

where the RHS dominant term is a random vector of independent entries with mean

Besides, each entry is asymptotically Gaussian (possibly with null variance) by the central limit theorem under Lindberg’s condition. Here again, since τ∘=τ+o(1)\tau^{\circ}=\tau+o(1), the result still holds if we replace τ∘\tau^{\circ} by τ\tau, and we obtain the sought for statement of Proposition 1.

As a next step for the understanding of the inner structure of LL, we need to explore the behavior of PWTWPPW^{\sf T}WP, which is provided by Lemma 1 and further by Lemma 2, which are proved next.

4. Proofs of Lemma 1 and Lemma 2

5. Proof of Theorem 2

which, up to multiplication by −2f′(τ)f(τ)-\frac{2f^{\prime}(\tau)}{f(\tau)} and addition of 2f′(τ)f(τ)F(τ)\frac{2f^{\prime}(\tau)}{f(\tau)}F(\tau), provides the isolated eigenvalues of L^′\hat{L}^{\prime}. Factoring out PWTWP−zInPW^{\sf T}WP-zI_{n} (of smallest absolute eigenvalue away from zero) and using Sylverster’s identity, this is equivalent to solving for all large nn, almost surely

The main technical difficulty arises for ψ\psi which depends clearly on WW, but which in fact behaves, as far as our estimators are concerned, as if it were independent. From Proposition 1 and Remark 8, denoting D=D⁡(1ptr⁡Ca21na)a=1k\mathcal{D}=\operatorname{\mathcal{D}}(\sqrt{\frac{1}{p}\operatorname{tr}C_{a}^{2}}1_{n_{a}})_{a=1}^{k}, ψTQzψ=φTDQzDφ+o(1)\psi^{\sf T}Q_{z}\psi=\varphi^{\sf T}\mathcal{D}Q_{z}\mathcal{D}\varphi+o(1) for some φ\varphi having i.i.d. zero mean, 1/p1/p-variance entries. Although φ\varphi is not independent of WW, we can show that φTDQzDφ=φTDQˉzDφ+o(1)\varphi^{\sf T}\mathcal{D}Q_{z}\mathcal{D}\varphi=\varphi^{\sf T}\mathcal{D}\bar{Q}_{z}\mathcal{D}\varphi+o(1), which, by the independence of the entries of φ\varphi, all of variance 1/p1/p, leads to φTDQzDφ=1ptr⁡DQˉzD+o(1)\varphi^{\sf T}\mathcal{D}Q_{z}\mathcal{D}\varphi=\frac{1}{p}\operatorname{tr}\mathcal{D}\bar{Q}_{z}\mathcal{D}+o(1), which is simply ∑i=1kcic0gi(z)1ptr⁡Ci2+o(1)\sum_{i=1}^{k}\frac{c_{i}}{c_{0}}g_{i}(z)\frac{1}{p}\operatorname{tr}C_{i}^{2}+o(1). To obtain this fact rigorously, we may, as in the proof of Lemmas 1 and 2 (see details in [BC16]), exploit the Gaussian integration-by-parts and Nash–Poincaré inequality method [PS11]; precisely, we obtain that E[ψTQzψ]=1ptr⁡DQˉzD+O(p−1){\rm E}[\psi^{\sf T}Q_{z}\psi]=\frac{1}{p}\operatorname{tr}\mathcal{D}\bar{Q}_{z}\mathcal{D}+O(p^{-1}) and E[(ψTQzψ−E[ψTQzψ])m]=O(p−m2){\rm E}[(\psi^{\sf T}Q_{z}\psi-{\rm E}[\psi^{\sf T}Q_{z}\psi])^{m}]=O(p^{-\frac{m}{2}}), from which the result unfolds. The calculus is however painstaking and is not further detailed.

Finally we show that all (block) cross-terms of UTQzUU^{\sf T}Q_{z}U vanish. To this end, with W=p−12[C112Z1,…,Ck12Zk]W=p^{-\frac{1}{2}}[C_{1}^{\frac{1}{2}}Z_{1},\ldots,C_{k}^{\frac{1}{2}}Z_{k}], one may use the polar decomposition Za=Or,aΔaOl,aTZ_{a}=O_{r,a}\Delta_{a}O_{l,a}^{\sf T} with Or,aO_{r,a}, Δa\Delta_{a}, Ol,aO_{l,a} independent and Ol,aO_{l,a}, Or,aO_{r,a} Haar-distributed on the orthogonal group. With this notation, it is easily shown by conditioning over the Δa\Delta_{a} and Ol,aTO_{l,a}^{\sf T} that uTQzWTvu^{\sf T}Q_{z}W^{\sf T}v can be written as the inner product of a bounded norm deterministic vector and a unitarily invariant random vector, as long as u,vu,v are independent of Or,aO_{r,a}, with ∥u∥=O(1)\|u\|=O(1), ∥v∥=O(1)\|v\|=O(1). This implies by standard results that uTQzWTv=o(1)u^{\sf T}Q_{z}W^{\sf T}v=o(1). This readily implies that 1pJTQzWTM=o(1)\frac{1}{\sqrt{p}}J^{\sf T}Q_{z}W^{\sf T}M=o(1). Similarly, with the same extra care as above to account for the dependence between ψ\psi and WW, we get ψTQzWTM=o(1)\psi^{\sf T}Q_{z}W^{\sf T}M=o(1), as well as 1pψTQzJ=o(1)\frac{1}{\sqrt{p}}\psi^{\sf T}Q_{z}J=o(1).

Proceeding to the complete calculus of the deterministic approximation for I2k+1+BUTQzUI_{2k+1}+BU^{\sf T}Q_{z}U, we obtain I2k+1+BUTQzU=Hz+o(1)I_{2k+1}+BU^{\sf T}Q_{z}U=H_{z}+o(1), where

Our objective is now to find the solutions to det⁡Hz=0\det H_{z}=0 to then prove that the eigenvalues of PWTWP+UBUTPW^{\sf T}WP+UBU^{\sf T} are asymptotically those real zz’s cancelling the determinant of HzH_{z}.

At this point, two cases must be differentiated, according to whether h(τ,z)→0h(\tau,z)\to 0 or not. Let us start with the more interesting h(τ,z)h(\tau,z) away from zero case.

In this scenario, using the Schur complement formula, with obvious block-wise notations following the structure of (25), we have

The k×kk\times k matrix G‾z≜H11H33−H12H21H33−H13H31\underline{G}_{z}\triangleq H_{11}H_{33}-H_{12}H_{21}H_{33}-H_{13}H_{31} is explicitly given by

in the notations of Theorem 2. Note now that G‾z\underline{G}_{z} has right eigenvector 1k1_{k} and left eigenvector cTc^{\sf T} both associated with the eigenvalue h(τ,z)(1−z−1F(τ))h(\tau,z)(1-z^{-1}F(\tau)). Thus, provided such a zz is away from Sp\mathcal{S}_{p}, det⁡Hz=0\det H_{z}=0 when z=F(τ)z=F(\tau), that is, when −2f′(τ)f(τ)z+2f′(τ)f(τ)F(τ)=0-\frac{2f^{\prime}(\tau)}{f(\tau)}z+\frac{2f^{\prime}(\tau)}{f(\tau)}F(\tau)=0. Therefore, we recover here precisely the (possibly isolated) zero eigenvalue of L′L^{\prime} (as we should).

Now, note that, for all zz’s distant from F(τ)F(\tau), G‾z1k=h(τ,z)(1−z−1F(τ))1k\underline{G}_{z}1_{k}=h(\tau,z)(1-z^{-1}F(\tau))1_{k} is away from zero, so that 1k1_{k} is always a right eigenvector associated with a non-zero eigenvalue. Similarly, since cTDτ,z=0c^{\sf T}D_{\tau,z}=0, cTG‾z=h(τ,z)(1−z−1F(τ))cTc^{\sf T}\underline{G}_{z}=h(\tau,z)(1-z^{-1}F(\tau))c^{\sf T} and cTc^{\sf T} is always a left eigenvector with the same eigenvalue. Thus, since all other left-eigenvectors must be orthogonal to 1k1_{k} and all other right-eigenvectors orthogonal to cTc^{\sf T}, the zero eigenvalues of G‾z\underline{G}_{z} must be the same as those of (Ik−1kcT)G‾z(I_{k}-1_{k}c^{\sf T})\underline{G}_{z} which is precisely GzG_{z}, except for the eigenvalue having eigenvectors cTc^{\sf T} and 1k1_{k}. But Gz1k=h(τ,z)1kG_{z}1_{k}=h(\tau,z)1_{k} and cTGz=h(τ,z)cTc^{\sf T}G_{z}=h(\tau,z)c^{\sf T}, which is away from zero. To conclude, the sought-for isolated eigenvalues of L′L^{\prime} (distinct from zero) correspond to those zz’s away from Sp\mathcal{S}_{p}, distant from F(τ)F(\tau) and such that h(τ,z)h(\tau,z) is away from zero, which are such that GzG_{z} has zero eigenvalues.

5.2. h​(τ,z)→0→ℎ𝜏𝑧0h(\tau,z)\to 0

In this scenario, as H331−kH_{33}^{1-k} diverges without bound, the study performed in the previous paragraph will no longer be valid in the final arguments of the proof (see next paragraph). As such, we are left with studying det⁡(Hz)\det(H_{z}) from (25) directly. Although not easy to fully investigate, a few results already come. For instance, in the case where t=0t=0, note that if Hp\mathcal{H}_{p} is not empty and thus contains at least a ρ+\rho_{+}, det⁡(Hρ+)=0\det(H_{\rho_{+}})=0 with multiplicity one unless the same ρ+\rho_{+} coincidentally induces the upper-left 2k×2k2k\times 2k submatrix of Hρ+H_{\rho_{+}} to be singular.

5.3. Completion of the proof

almost surely. As both sides are integers and correspond to the number of zeros of the respective denominators (which have no pole away from Sp∪Gp\mathcal{S}_{p}\cup\mathcal{G}_{p}), we find that the multiplicity of an eigenvalue λ\lambda of PWTWP+UBUTPW^{\sf T}WP+UBU^{\sf T} is the same as that of its deterministic limit ρ\rho leading to a root of HzH_{z}. Such ρ\rho, if satisfying h(τ,ρ)↛0h(\tau,\rho)\not\to 0, must then have the same multiplicity as a root of GρG_{\rho}. If instead h(τ,ρ)→0h(\tau,\rho)\to 0, then the multiplicity of ρ\rho is the multiplicity of zero as an eigenvalue of HρH_{\rho} (which in general will be one).

Assuming now f′(τ)→0f^{\prime}(\tau)\to 0, Theorem 1 gives

Up to a shift by the constant f(0)−f(τ)f(τ)\frac{f(0)-f(\tau)}{f(\tau)}, we are then to solve

which, again by Sylverster’s identity, is equivalent to solving, for zz away from zero,

If h0(τ,z)h^{0}(\tau,z) is at macroscopic distance from zero, this is asymptotically the same as finding zz for which Hz0H_{z}^{0} has a zero eigenvalue, where

6. Proof of Theorem 4

By Woodbury’s identity, this further reads

As I\mathcal{I} is away from Sp∪Gp\mathcal{S}_{p}\cup\mathcal{G}_{p}, which asymptotically contains all the spectrum of PWTWPPW^{\sf T}WP, the left right-hand side term is asymptotically zero, almost surely. We are then left with studying the rightmost term. This term comprises 1pJTQzU\frac{1}{\sqrt{p}}J^{\sf T}Q_{z}U which is a submatrix of UTQzUU^{\sf T}Q_{z}U evaluated in (24) in the previous section, and (I2k+1+BUTQzU)−1B(I_{2k+1}+BU^{\sf T}Q_{z}U)^{-1}B which we know also from the previous section to be Hz−1B+o(1)H_{z}^{-1}B+o(1) (with HzH_{z} defined in (25)). We shall next evaluate Hz−1BH_{z}^{-1}B.

with G‾z\underline{G}_{z} defined in (26) as G‾z=H11H33−H12H21H33−H13H31\underline{G}_{z}=H_{11}H_{33}-H_{12}H_{21}H_{33}-H_{13}H_{31}. Making these terms explicit and post multiplying by BB then gives, in block definition

where, for Dτ,zD_{\tau,z} given in the statement of Theorem 4, we defined D‾τ,z=Dτ,z+h(τ,z)c0F(τ)1k1kT\underline{D}_{\tau,z}=D_{\tau,z}+h(\tau,z)c_{0}F(\tau)1_{k}1_{k}^{\sf T}.

With BB (in the statement of Theorem 2), (24), and (29) at hand (at this point, since 1pJTQzU\frac{1}{p}J^{\sf T}Q_{z}U vanishes outside the first block, we only need the blocks 1111, 1212, and 1313 of Hz−1BH_{z}^{-1}B), we then explicitly evaluate 1pJTQzUHz−1BUTQJ\frac{1}{p}J^{\sf T}Q_{z}UH_{z}^{-1}BU^{\sf T}QJ as

As this is the integrand of the term of interest in (7.6), one must evaluate the associated residue and thus we are interested here in the values of zz lying within γI\gamma_{\mathcal{I}} such that (h(τ,z))−1G‾z(h(\tau,z))^{-1}\underline{G}_{z} is singular. Let us first consider those zz’s for which h(τ,z)h(\tau,z) remains away from zero. As seen in the proof of Theorem 2, the poles of interest here are either z=F(τ)z=F(\tau), which is directly associated with the eigenvalue nn of LL and thus not of interest here, or the zz’s such that G‾z\underline{G}_{z} has a zero eigenvalue with left-eigenvector orthogonal to 1k1_{k} (and right-eigenvector orthogonal to cTc^{\sf T}). Such left- and right-eigenvectors associated with the zero eigenvalues of G‾z\underline{G}_{z} are also those of GzG_{z} associated with the same eigenvalues. We therefore conclude that

almost surely, where in the second equality we used the fact that the residue of Gz−1G_{z}^{-1} must have right-eigenvectors orthogonal to cTc^{\sf T}, i.e., writing Gz=VrΛVlT+h(τ,z)1kcTG_{z}=V_{r}\Lambda V_{l}^{\sf T}+h(\tau,z)1_{k}c^{\sf T} in eigenvalue decomposition, cTVr=0c^{\sf T}V_{r}=0 and thus, since h(τ,z)h(\tau,z) is not close to zero, cTRes(Gz−1)=0c^{\sf T}{\rm Res}(G_{z}^{-1})=0. Our result is then concluded by noticing that, for ρ\rho such that GρG_{\rho} has a zero eigenvalue with multiplicity mρm_{\rho}, and with the previous notation (recalling also that [Vr 1k]=[Vl c]−1[V_{r}~{}1_{k}]=[V_{l}~{}c]^{-1})

The derivative in the denominator above is (∂z(Vl,z)iT)Gz(Vr,z)i+(Vl,z)iTGz(∂z(Vr,z)i)+(Vl,z)iT)(∂zGz)(Vr,z)i(\partial_{z}(V_{l,z})_{i}^{\sf T})G_{z}(V_{r,z})_{i}+(V_{l,z})_{i}^{\sf T}G_{z}(\partial_{z}(V_{r,z})_{i})+(V_{l,z})_{i}^{\sf T})(\partial_{z}G_{z})(V_{r,z})_{i}. But Gρ(Vr,ρ)i=0G_{\rho}(V_{r,\rho})_{i}=0 and (Vl,ρ)iTGρ=0(V_{l,\rho})_{i}^{\sf T}G_{\rho}=0, so that finally

with Gρ′=[∂zGz]z=ρG^{\prime}_{\rho}=[\partial_{z}G_{z}]_{z=\rho}. This concludes the proof in the case where no zz satisfying h(τ,z)=0h(\tau,z)=0 is found close to I\mathcal{I}.

Let us now consider the residue associated to the hypothetical (real) ρ\rho’s for which h(τ,ρ)=0h(\tau,\rho)=0. Then, if ∥t∥\|t\| is away from zero, as z→ρz\to\rho, G‾z\underline{G}_{z} tends to a rank-one matrix proportional to ttTΓρtt^{\sf T}\Gamma_{\rho}. Thus, with the same reasoning as previously,

with (Pr,z)i(P_{r,z})_{i} and (Pl,z)i(P_{l,z})_{i} the eigenvectors of G‾z\underline{G}_{z} associated to its vanishing eigenvalues. In the limit, the denominator is well defined, unless ρ\rho coincides (or gets asymptotically close) to another of the ρ\rho’s identified in Theorem 2. Discarding this situation, and realizing that the denominator must tend to zero, we thus find that the residue associated to ρ\rho is zero. If instead ∥t∥→0\|t\|\to 0, h(τ,z)G‾z−1h(\tau,z)\underline{G}_{z}^{-1} is well defined by extension by continuity in z=ρz=\rho, and there is again no residue.

This completes the proof of Theorem 4 since, as ρ\rho in the statement of the theorem is isolated from the other eigenvalues, one can set I\mathcal{I} to be a segment containing solely ρ\rho, all other eigenvalues being kept away.

The proof of Theorem 5 follows straightforwardly from the previous proof and is thus not commented any further.

7. Proof of Theorem 6

The first part of the proof follows the arguments for the proof of Theorem 4. Precisely, we have here, for I\mathcal{I} a contour neither enclosing ρ\rho such that h(τ,ρ)=0h(\tau,\rho)=0 nor enclosing the eigenvalue nn of LL,

where we only need to evaluate the new term ψTDaQzU\psi^{\sf T}\mathcal{D}_{a}Q_{z}U since both Hz−1BH_{z}^{-1}B and UTQzJpU^{\sf T}Q_{z}\frac{J}{\sqrt{p}} (as a submatrix of UTQzUU^{\sf T}Q_{z}U) are known. For the former, as in previous derivations, we can show that ψ\psi behaves as if it were independent of WW when it comes to evaluating such bilinear forms. Since ψ\psi has independent zero mean entries and Daψ\mathcal{D}_{a}\psi is supported on the indices of class Ca\mathcal{C}_{a} and there has i.i.d. entries of variance 2tr⁡Ca2/p22\operatorname{tr}C_{a}^{2}/p^{2}, applying Lemma 1 along with a quadratic-form-close-to-the-trace argument, we obtain

Together with the previous results on Hz−1BH_{z}^{-1}B and UTQzJpU^{\sf T}Q_{z}\frac{J}{\sqrt{p}}, this finally gives

Since I\mathcal{I} does not contain the eigenvalue nn of LL, we may once more replace G‾z−1\underline{G}_{z}^{-1} by Gz−1G_{z}^{-1} and D‾(τ,z)\underline{D}(\tau,z) by D(τ,z)D(\tau,z), to obtain

which, by the relation Gz−1D(τ,z)Γz=−h(τ,z)Gz−1+IkG_{z}^{-1}D(\tau,z)\Gamma_{z}=-h(\tau,z)G_{z}^{-1}+I_{k} (the latter leading to no residue), gives the result.

where Qz=(PWTWP+UBUT−zIn)−1\mathcal{Q}_{z}=\left(PW^{\sf T}WP+UBU^{\sf T}-zI_{n}\right)^{-1}. This is further written as

The integrand is essentially composed of the term UTQz1DaQz2UU^{\sf T}Q_{z_{1}}\mathcal{D}_{a}Q_{z_{2}}U which is obtained from Lemma 2 as

(where Ea;z1z2JE_{a;z_{1}z_{2}}^{J}, Ea;z1z2ME_{a;z_{1}z_{2}}^{M}, and Ea;z1z2ψE_{a;z_{1}z_{2}}^{\psi} are defined in (11)), and of the terms Hz1−1BH_{z_{1}}^{-1}B and Hz2−1BH_{z_{2}}^{-1}B, obtained from (29). After a straightforward calculus and additionally using the fact that ΓzGz−1=(Gz−1)TΓz\Gamma_{z}G_{z}^{-1}=(G_{z}^{-1})^{\sf T}\Gamma_{z} or Gz−1Dτ,z=Dτ,z(Gz−1)TG_{z}^{-1}D_{\tau,z}=D_{\tau,z}(G_{z}^{-1})^{\sf T}, as well as Gz−1D(τ,z)Γz+h(τ,z)Gz−1=IkG_{z}^{-1}D(\tau,z)\Gamma_{z}+h(\tau,z)G_{z}^{-1}=I_{k}, we find

Taking the residues Res(Gz1−1){\rm Res}\left(G_{z_{1}}^{-1}\right) and Res(Gz2−1){\rm Res}\left(G_{z_{2}}^{-1}\right) over γI1\gamma_{\mathcal{I}_{1}} and γI2\gamma_{\mathcal{I}_{2}} successively, we retrieve the sought-for result. The same derivations can be performed for the case where f′(τ)→0f^{\prime}(\tau)\to 0.

Appendix: concentration lemmas

The following lemma is extracted from [E11, Lemma 2.12].

Let us fix α,C>0\alpha,C>0 and consider y1,…,ypy_{1},\ldots,y_{p} some independent complex centered random variables with variance 11 such that for each ii, for all x≥0x\geq 0,

where C′C^{\prime} is a constant depending only on α\alpha and CC.

The following lemma can be found in [RV13] (see also [HS71]). It states roughly that XTAX−tr⁡AX^{\sf T}AX-\operatorname{tr}A has order at most max⁡{tr⁡AAT,∥A∥}=tr⁡AAT\max\{\sqrt{\operatorname{tr}AA^{\sf T}},\|A\|\}=\sqrt{\operatorname{tr}AA^{\sf T}}.

References