A Random Matrix Approach to Neural Networks

Cosme Louart, Zhenyu Liao, Romain Couillet

Introduction

In terms of practical applications, our findings shed light on the already incompletely understood extreme learning machines which have proved extremely efficient in handling machine learning problems involving large to huge datasets (Huang et al., 2012; Cambria et al., 2015) at a computationally affordable cost. But our objective is also to pave to path to the understanding of more involved neural network structures, featuring notably multiple layers and some steps of learning by means of backpropagation of the error.

These findings provide new insights into the roles played by the activation function σ(⋅)\sigma(\cdot) and the random distribution of the entries of WW in random feature maps as well as by the ridge-regression parameter γ\gamma in the neural network performance. We notably exhibit and prove some peculiar behaviors, such as the impossibility for the network to carry out elementary Gaussian mixture classification tasks, when either the activation function or the random weights distribution are ill chosen.

Besides, for the practitioner, the theoretical formulas retrieved in this work allow for a fast offline tuning of the aforementioned hyperparameters of the neural network, notably when TT is not too large compared to pp. The graphical results provided in the course of the article were particularly obtained within a 100100- to 500500-fold gain in computation time between theory and simulations.

The remainder of the article is structured as follows: in Section 2, we introduce the mathematical model of the system under investigation. Our main results are then described and discussed in Section 3, the proofs of which are deferred to Section 5. Section 4 discusses our main findings. The article closes on concluding remarks on envisioned extensions of the present work in Section 6. The appendix provides some intermediary lemmas of constant use throughout the proof section.

Reproducibility: Python 3 codes used to produce the results of Section 4 are available at https://github.com/Zhenyu-LIAO/RMT4ELM

Notations: The norm ∥⋅∥\|\cdot\| is understood as the Euclidean norm for vectors and the operator norm for matrices, while the norm ∥⋅∥F\|\cdot\|_{F} is the Frobenius norm for matrices. All vectors in the article are understood as column vectors.

System Model

From a neural network viewpoint, the nn neurons of the network are the virtual units operating the mapping Wi⋅x↦σ(Wi⋅x)W_{i\cdot}x\mapsto\sigma(W_{i\cdot}x) (Wi⋅W_{i\cdot} being the ii-th row of WW), for 1≤i≤n1\leq i\leq n. The neural network then operates in two phases: a training phase where the regression matrix β\beta is learned based on a known input-output dataset pair (X,Y)(X,Y) and a testing phase where, for β\beta now fixed, the network operates on a new input dataset X^\hat{X} with corresponding unknown output Y^\hat{Y}.

where we defined Σ≡σ(WX)\Sigma\equiv\sigma(WX). This follows from differentiating the mean square error along β\beta to obtain 0=γβ+1T∑i=1Tσ(Wxi)(βTσ(Wxi)−yi)T0=\gamma\beta+\frac{1}{T}\sum_{i=1}^{T}\sigma(Wx_{i})(\beta^{\sf T}\sigma(Wx_{i})-y_{i})^{\sf T}, so that (1TΣΣT+γIn)β=1TΣYT(\frac{1}{T}\Sigma\Sigma^{\sf T}+\gamma I_{n})\beta=\frac{1}{T}\Sigma Y^{\sf T} which, along with (1TΣΣT+γIn)−1Σ=Σ(1TΣTΣ+γIT)−1(\frac{1}{T}\Sigma\Sigma^{\sf T}+\gamma I_{n})^{-1}\Sigma=\Sigma(\frac{1}{T}\Sigma^{\sf T}\Sigma+\gamma I_{T})^{-1}, gives the result.

the resolvent of 1TΣTΣ\frac{1}{T}\Sigma^{\sf T}\Sigma. The matrix QQ naturally appears as a key quantity in the performance analysis of the neural network. Notably, the mean-square error EtrainE_{\rm train} on the training dataset XX is given by

Under the growth rate assumptions on n,p,Tn,p,T taken below, it shall appear that the random variable EtrainE_{\rm train} concentrates around its mean, letting then appear E[Q2]{\rm E}[Q^{2}] as a central object in the asymptotic evaluation of EtrainE_{\rm train}.

where Σ^=σ(WX^)\hat{\Sigma}=\sigma(W\hat{X}) and β\beta is the same as used in (1) (and thus only depends on (X,Y)(X,Y) and γ\gamma). One of the key questions in the analysis of such an elementary neural network lies in the determination of γ\gamma which minimizes EtestE_{\rm test} (and is thus said to have good generalization performance). Notably, small γ\gamma values are known to reduce EtrainE_{\rm train} but to induce the popular overfitting issue which generally increases EtestE_{\rm test}, while large γ\gamma values engender both large values for EtrainE_{\rm train} and EtestE_{\rm test}.

From a mathematical standpoint though, the study of EtestE_{\rm test} brings forward some technical difficulties that do not allow for as a simple treatment through the present concentration of measure methodology as the study of EtrainE_{\rm train}. Nonetheless, the analysis of EtrainE_{\rm train} allows at least for heuristic approaches to become available, which we shall exploit to propose an asymptotic deterministic approximation for EtestE_{\rm test}.

From a technical standpoint, we shall make the following set of assumptions on the mapping x↦σ(Wx)x\mapsto\sigma(Wx).

Under the notations of Assumption 1, we have in particular Wij∼N(0,1)W_{ij}\sim\mathcal{N}(0,1) if φ(t)=t\varphi(t)=t and Wij∼U(−1,1)W_{ij}\sim\mathcal{U}(-1,1) (the uniform distribution on $)if) if\varphi(t)=-1+2\frac{1}{\sqrt{2\pi}}\int_{t}^{\infty}e^{-x^{2}}dx((\varphiishereais here a\sqrt{2/\pi}$-Lipschitz map).

We further need the following regularity condition on the function σ\sigma.

The function σ\sigma is Lipschitz continuous with parameter λσ\lambda_{\sigma}.

This assumption holds for many of the activation functions traditionally considered in neural networks, such as sigmoid functions, the rectified linear unit σ(t)=max⁡(t,0)\sigma(t)=\max(t,0), or the absolute value operator.

When considering the interesting case of simultaneously large data and random features (or neurons), we shall then make the following growth rate assumptions.

while γ,λσ,λφ>0\gamma,\lambda_{\sigma},\lambda_{\varphi}>0 and dd are kept constant. In addition,

Main Results

As a standard preliminary step in the asymptotic random matrix analysis of the expectation E[Q]{\rm E}[Q] of the resolvent Q=(1TΣTΣ+γIT)−1Q=(\frac{1}{T}\Sigma^{\sf T}\Sigma+\gamma I_{T})^{-1}, a convergence of quadratic forms based on the row vectors of Σ\Sigma is necessary (see e.g., (Marc̆enko and Pastur, 1967; Silverstein and Bai, 1995)). Such results are usually obtained by exploiting the independence (or linear dependence) in the vector entries. This not being the case here, as the entries of the vector σ(XTw)\sigma(X^{\sf T}w) are in general not independent, we resort to a concentration of measure approach, as advocated in (El Karoui, 2009). The following lemma, stated here in a non-asymptotic random matrix regime (that is, without necessarily resorting to Assumption 3), and thus of independent interest, provides this concentration result. For this lemma, we need first to define the following key matrix

of size T×TT\times T, where w∼Nφ(0,Ip)w\sim\mathcal{N}_{\varphi}(0,I_{p}).

for t0≡∣σ(0)∣+λφλσ∥X∥pTt_{0}\equiv|\sigma(0)|+\lambda_{\varphi}\lambda_{\sigma}\|X\|\sqrt{\frac{p}{T}} and C,c>0C,c>0 independent of all other parameters. In particular, under the additional Assumption 3,

Note that this lemma partially extends concentration of measure results involving quadratic forms, see e.g., (Rudelson et al., 2013, Theorem 1.1), to non-linear vectors.

With this result in place, the standard resolvent approaches of random matrix theory apply, providing our main theoretical finding as follows.

Let Assumptions 1–3 hold and define Qˉ\bar{Q} as

where δ\delta is implicitly defined as the unique positive solution to δ=1Ttr⁡ΦQˉ\delta=\frac{1}{T}\operatorname{tr}\Phi\bar{Q}. Then, for all ε>0\varepsilon>0, there exists c>0c>0 such that

As a corollary of Theorem 1 along with a concentration argument on 1Ttr⁡Q\frac{1}{T}\operatorname{tr}Q, we have the following result on the spectral measure of 1TΣTΣ\frac{1}{T}\Sigma^{\sf T}\Sigma, which may be seen as a non-linear extension of (Silverstein and Bai, 1995) for which σ(t)=t\sigma(t)=t.

Let Assumptions 1–3 hold and, for λ1,…,λT\lambda_{1},\ldots,\lambda_{T} the eigenvalues of 1TΣTΣ\frac{1}{T}\Sigma^{\sf T}\Sigma, define μn=1T∑i=1Tδλi\mu_{n}=\frac{1}{T}\sum_{i=1}^{T}{\bm{\delta}}_{\lambda_{i}}. Then, for every bounded continuous function ff, with probability one

However, as shall be shown in Section 3.3, and contrary to empirical covariance matrix models of the type PTWTWPP^{\sf T}W^{\sf T}WP, Φ\Phi explicitly depends on the distribution of WijW_{ij} (that is, beyond its first two moments). Thus, the aforementioned linearization of 1TΣTΣ\frac{1}{T}\Sigma^{\sf T}\Sigma, and subsequently the deterministic equivalent for μn\mu_{n}, are not universal with respect to the distribution of zero-mean unit variance WijW_{ij}. This is in striking contrast to the many linear random matrix models studied to date which often exhibit such universal behaviors. This property too will have deep consequences in the performance of neural networks as shall be shown through Figure 3 in Section 4 for an example where inappropriate choices for the law of WW lead to network failure to fulfill the regression task.

For convenience in the following, letting δ\delta and Φ\Phi be defined as in Theorem 1, we shall denote

Theorem 1 provides the central step in the evaluation of EtrainE_{\rm train}, for which not only E[Q]{\rm E}[Q] but also E[Q2]{\rm E}[Q^{2}] needs be estimated. This last ingredient is provided in the following proposition.

As an immediate consequence of Proposition 1, we have the following result on the training mean-square error of single-layer random neural networks.

Let Assumptions 1–3 hold and Qˉ\bar{Q}, Ψ\Psi be defined as in Theorem 1 and (3). Then, for all ε>0\varepsilon>0,

Since Qˉ\bar{Q} and Φ\Phi share the same orthogonal eigenvector basis, it appears that EtrainE_{\rm train} depends on the alignment between the right singular vectors of YY and the eigenvectors of Φ\Phi, with weighting coefficients

where we denoted λi=λi(Ψ)\lambda_{i}=\lambda_{i}(\Psi), 1≤i≤T1\leq i\leq T, the eigenvalues of Ψ\Psi (which depend on γ\gamma through λi(Ψ)=nT(1+δ)λi(Φ)\lambda_{i}(\Psi)=\frac{n}{T(1+\delta)}\lambda_{i}(\Phi)). If lim inf⁡nn/T>1\liminf_{n}n/T>1, it is easily seen that δ→0\delta\to 0 as γ→0\gamma\to 0, in which case Etrain→0E_{\rm train}\to 0 almost surely. However, in the more interesting case in practice where lim sup⁡nn/T<1\limsup_{n}n/T<1, δ→∞\delta\to\infty as γ→0\gamma\to 0 and EtrainE_{\rm train} consequently does not have a simple limit (see Section 4.3 for more discussion on this aspect).

Theorem 3 is also reminiscent of applied random matrix works on empirical covariance matrix models, such as (Bai and Silverstein, 2007; Kammoun et al., 2009), then further emphasizing the strong connection between the non-linear matrix σ(WX)\sigma(WX) and its linear counterpart WΦ12W\Phi^{\frac{1}{2}}.

2 Testing performance

As previously mentioned, harnessing the asymptotic testing performance EtestE_{\rm test} seems, to the best of the authors’ knowledge, out of current reach with the sole concentration of measure arguments used for the proof of the previous main results. Nonetheless, if not fully effective, these arguments allow for an intuitive derivation of a deterministic equivalent for EtestE_{\rm test}, which is strongly supported by simulation results. We provide this result below under the form of a yet unproven claim, a heuristic derivation of which is provided at the end of Section 5.

where w∼Nφ(0,Ip)w\sim\mathcal{N}_{\varphi}(0,I_{p}). In particular, Φ=ΦXX\Phi=\Phi_{XX} and Ψ=ΨXX\Psi=\Psi_{XX}.

With these notations in place, we are in position to state our claimed result.

Let Assumptions 1–2 hold and X^,Y^\hat{X},\hat{Y} satisfy the same conditions as X,YX,Y in Assumption 3. Then, for all ε>0\varepsilon>0,

While not immediate at first sight, one can confirm (using notably the relation ΨQˉ+γQˉ=IT\Psi\bar{Q}+\gamma\bar{Q}=I_{T}) that, for (X^,Y^)=(X,Y)(\hat{X},\hat{Y})=(X,Y), Eˉtrain=Eˉtest\bar{E}_{\rm train}=\bar{E}_{\rm test}, as expected.

In order to evaluate practically the results of Theorem 3 and Conjecture 1, it is a first step to be capable of estimating the values of ΦAB\Phi_{AB} for various σ(⋅)\sigma(\cdot) activation functions of practical interest. Such results, which call for completely different mathematical tools (mostly based on integration tricks), are provided in the subsequent section.

The evaluation of (4) can be obtained through various integration tricks for a wide family of mappings φ(⋅)\varphi(\cdot) and activation functions σ(⋅)\sigma(\cdot). The most popular activation functions in neural networks are sigmoid functions, such as σ(t)=erf(t)≡2π∫0te−u2du\sigma(t)={\rm erf}(t)\equiv\frac{2}{\sqrt{\pi}}\int_{0}^{t}e^{-u^{2}}du, as well as the so-called rectified linear unit (ReLU) defined by σ(t)=max⁡(t,0)\sigma(t)=\max(t,0) which has been recently popularized as a result of its robust behavior in deep neural networks. In physical artificial neural networks implemented using light projections, σ(t)=∣t∣\sigma(t)=|t| is the preferred choice. Note that all aforementioned functions are Lipschitz continuous and therefore in accordance with Assumption 2.

In anticipation of these likely generalizations, we provide in Table 1 the values of Φab\Phi_{ab} for w∼N(0,Ip)w\sim\mathcal{N}(0,I_{p}) (i.e., for φ(t)=t\varphi(t)=t) and for a set of functions σ(⋅)\sigma(\cdot) not necessarily satisfying Assumption 2. Denoting Φ≡Φ(σ(t))\Phi\equiv\Phi(\sigma(t)), it is interesting to remark that, since arccos⁡(x)=−arcsin⁡(x)+π2\arccos(x)=-\arcsin(x)+\frac{\pi}{2}, Φ(max⁡(t,0))=Φ(12t)+Φ(12∣t∣)\Phi(\max(t,0))=\Phi(\frac{1}{2}t)+\Phi(\frac{1}{2}|t|). Also, [Φ(cos⁡(t))+Φ(sin⁡(t))]a,b=exp⁡(−12∥a−b∥2)[\Phi(\cos(t))+\Phi(\sin(t))]_{a,b}=\exp(-\frac{1}{2}\|a-b\|^{2}), a result reminiscent of (Rahimi and Recht, 2007).It is in particular not difficult to prove, based on our framework, that, as n/T→∞n/T\to\infty, a random neural network composed of n/2n/2 neurons with activation function σ(t)=cos⁡(t)\sigma(t)=\cos(t) and n/2n/2 neurons with activation function σ(t)=sin⁡(t)\sigma(t)=\sin(t) implements a Gaussian difference kernel. Finally, note that Φ(erf(κt))→Φ(sign(t))\Phi({\rm erf}(\kappa t))\to\Phi({\rm sign}(t)) as κ→∞\kappa\to\infty, inducing that the extension by continuity of erf(κt){\rm erf}(\kappa t) to sign(t){\rm sign}(t) propagates to their associated kernels.

where we defined (a2)≡[a12,…,ap2]T(a^{2})\equiv[a_{1}^{2},\ldots,a_{p}^{2}]^{\sf T}.

It is already interesting to remark that, while classical random matrix models exhibit a well-known universality property — in the sense that their limiting spectral distribution is independent of the moments (higher than two) of the entries of the involved random matrix, here WW —, for σ(⋅)\sigma(\cdot) a polynomial of order two, Φ\Phi and thus μn\mu_{n} strongly depend on E[Wijk]{\rm E}[W_{ij}^{k}] for k=3,4k=3,4. We shall see in Section 4 that this remark has troubling consequences. We will notably infer (and confirm via simulations) that the studied neural network may provably fail to fulfill a specific task if the WijW_{ij} are Bernoulli with zero mean and unit variance but succeed with possibly high performance if the WijW_{ij} are standard Gaussian (which is explained by the disappearance or not of the term (aTb)2(a^{\sf T}b)^{2} and (a2)T(b2)(a^{2})^{\sf T}(b^{2}) in (3.3) if m4=m22m_{4}=m_{2}^{2}).

Practical Outcomes

We discuss in this section the outcomes of our main results in terms of neural network application. The technical discussions on Theorem 1 and Proposition 1 will be made in the course of their respective proofs in Section 5.

We first provide in this section a simulation corroborating the findings of Theorem 3 and suggesting the validity of Conjecture 1. To this end, we consider the task of classifying the popular MNIST image database (LeCun, Cortes and Burges, 1998), composed of grayscale handwritten digits of size 28×2828\times 28, with a neural network composed of n=512n=512 units and standard Gaussian WW. We represent here each image as a p=784p=784-size vector; 1 0241\,024 images of sevens and 1 0241\,024 images of nines were extracted from the database and were evenly split in 512512 training and test images, respectively. The database images were jointly centered and scaled so to fall close to the setting of Assumption 3 on XX and X^\hat{X} (an admissible preprocessing intervention). The columns of the output values YY and Y^\hat{Y} were taken as unidimensional (d=1d=1) with Y1j,Y^1j∈{−1,1}Y_{1j},\hat{Y}_{1j}\in\{-1,1\} depending on the image class. Figure 1 displays the simulated (averaged over 100100 realizations of WW) versus theoretical values of EtrainE_{\rm train} and EtestE_{\rm test} for three choices of Lipschitz continuous functions σ(⋅)\sigma(\cdot), as a function of γ\gamma.

Note that a perfect match between theory and practice is observed, for both EtrainE_{\rm train} and EtestE_{\rm test}, which is a strong indicator of both the validity of Conjecture 1 and the adequacy of Assumption 3 to the MNIST dataset.

We subsequently provide in Figure 2 the comparison between theoretical formulas and practical simulations for a set of functions σ(⋅)\sigma(\cdot) which do not satisfy Assumption 2, i.e., either discontinuous or non-Lipschitz maps. The closeness between both sets of curves is again remarkably good, although to a lesser extent than for the Lipschitz continuous functions of Figure 1. Also, the achieved performances are generally worse than those observed in Figure 1.

It should be noted that the performance estimates provided by Theorem 3 and Conjecture 1 can be efficiently implemented at low computational cost in practice. Indeed, by diagonalizing Φ\Phi (which is a marginal cost independent of γ\gamma), Eˉtrain\bar{E}_{\rm train} can be computed for all γ\gamma through mere vector operations; similarly Eˉtest\bar{E}_{\rm test} is obtained by the marginal cost of a basis change of ΦX^X\Phi_{\hat{X}X} and the matrix product ΦXX^ΦX^X\Phi_{X\hat{X}}\Phi_{\hat{X}X}, all remaining operations being accessible through vector operations. As a consequence, the simulation durations to generate the aforementioned theoretical curves using the linked Python script were found to be 100100 to 500500 times faster than to generate the simulated network performances. Beyond their theoretical interest, the provided formulas therefore allow for an efficient offline tuning of the network hyperparameters, notably the choice of an appropriate value for the ridge-regression parameter γ\gamma.

2 The underlying kernel

Theorem 1 and the subsequent theoretical findings importantly reveal that the neural network performances are directly related to the Gram matrix Φ\Phi, which acts as a deterministic kernel on the dataset XX. This is in fact a well-known result found e.g., in (Williams, 1998) where it is shown that, as n→∞n\to\infty alone, the neural network behaves as a mere kernel operator (this observation is retrieved here in the subsequent Section 4.3). This remark was then put at an advantage in (Rahimi and Recht, 2007) and subsequent works, where random feature maps of the type x↦σ(Wx)x\mapsto\sigma(Wx) are proposed as a computationally efficient proxy to evaluate kernels (x,y)↦Φ(x,y)(x,y)\mapsto\Phi(x,y).

As discussed previously, the formulas for Eˉtrain\bar{E}_{\rm train} and Eˉtest\bar{E}_{\rm test} suggest that good performances are achieved if the dominant eigenvectors of Φ\Phi show a good alignment to YY (and similarly for ΦXX^\Phi_{X\hat{X}} and Y^\hat{Y}). This naturally drives us to finding a priori simple regression tasks where ill-choices of Φ\Phi may annihilate the neural network performance. Following recent works on the asymptotic performance analysis of kernel methods for Gaussian mixture models (Couillet and Benaych-Georges, 2016; Zhenyu Liao, 2017; Mai and Couillet, 2017) and (Couillet and Kammoun, 2016), we describe here such a task.

Let x1,…,xT/2∼N(0,1pC1)x_{1},\ldots,x_{T/2}\sim\mathcal{N}(0,\frac{1}{p}C_{1}) and xT/2+1,…,xT∼N(0,1pC2)x_{T/2+1},\ldots,x_{T}\sim\mathcal{N}(0,\frac{1}{p}C_{2}) where C1C_{1} and C2C_{2} are such that tr⁡C1=tr⁡C2\operatorname{tr}C_{1}=\operatorname{tr}C_{2}, ∥C1∥,∥C2∥\|C_{1}\|,\|C_{2}\| are bounded, and tr⁡(C1−C2)2=O(p)\operatorname{tr}(C_{1}-C_{2})^{2}=O(p). Accordingly, y1,…,yT/2+1=−1y_{1},\ldots,y_{T/2+1}=-1 and yT/2+1,…,yT=1y_{T/2+1},\ldots,y_{T}=1. It is proved in the aforementioned articles that, under these conditions, it is theoretically possible, in the large p,Tp,T limit, to classify the data using a kernel least-square support vector machine (that is, with a training dataset) or with a kernel spectral clustering method (that is, in a completely unsupervised manner) with a non-trivial limiting error probability (i.e., neither zero nor one). This scenario has the interesting feature that xiTxj→0x_{i}^{\sf T}x_{j}\to 0 almost surely for all i≠ji\neq j while ∥xi∥2−1ptr⁡(12C1+12C2)→0\|x_{i}\|^{2}-\frac{1}{p}\operatorname{tr}(\frac{1}{2}C_{1}+\frac{1}{2}C_{2})\to 0, almost surely, irrespective of the class of xix_{i}, thereby allowing for a Taylor expansion of the non-linear kernels as early proposed in (El Karoui, 2010).

where only the last three functions (only found in the expression of Φab\Phi_{ab} corresponding to σ(t)=max⁡(t,0)\sigma(t)=\max(t,0), ∣t∣|t|, or cos⁡(t)\cos(t)) exhibit a quadratic term.

More surprisingly maybe, recalling now Equation (3.3) which considers non-necessarily Gaussian WijW_{ij} with moments mkm_{k} of order kk, a more refined analysis shows that the aforementioned Gaussian mixture classification task will fail if m3=0m_{3}=0 and m4=m22m_{4}=m_{2}^{2}, so for instance for Wij∈{−1,1}W_{ij}\in\{-1,1\} Bernoulli with parameter 12\frac{1}{2}. The performance comparison of this scenario is shown in the top part of Figure 3 for σ(t)=−12t2+1\sigma(t)=-\frac{1}{2}t^{2}+1 and C1=diag⁡(Ip/2,4Ip/2)C_{1}=\operatorname{\rm diag}(I_{p/2},4I_{p/2}), C2=diag⁡(4Ip/2,Ip/2)C_{2}=\operatorname{\rm diag}(4I_{p/2},I_{p/2}), for Wij∼N(0,1)W_{ij}\sim\mathcal{N}(0,1) and Wij∼BernW_{ij}\sim{\rm Bern} (that is, Bernoulli {(−1,12),(1,12)}\{(-1,\frac{1}{2}),(1,\frac{1}{2})\}). The choice of σ(t)=ζ2t2+ζ1t+ζ0\sigma(t)=\zeta_{2}t^{2}+\zeta_{1}t+\zeta_{0} with ζ1=0\zeta_{1}=0 is motivated by (Couillet and Benaych-Georges, 2016; Couillet and Kammoun, 2016) where it is shown, in a somewhat different setting, that this choice is optimal for class recovery. Note that, while the test performances are overall rather weak in this setting, for Wij∼N(0,1)W_{ij}\sim\mathcal{N}(0,1), EtestE_{\rm test} drops below one (the amplitude of the Y^ij\hat{Y}_{ij}), thereby indicating that non-trivial classification is performed. This is not so for the Bernoulli Wij∼BernW_{ij}\sim{\rm Bern} case where EtestE_{\rm test} is systematically greater than |\hat{Y}_{ij}|{\color[rgb]{0,0,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0,0}\pgfsys@color@gray@stroke{0}\pgfsys@color@gray@fill{0}=1}. This is theoretically explained by the fact that, from Equation (3.3), Φij\Phi_{ij} contains structural information about the data classes through the term 2m22(xiTxj)2+(m4−3m22)(xi2)T(xj2)2m_{2}^{2}(x_{i}^{\sf T}x_{j})^{2}+(m_{4}-3m_{2}^{2})(x_{i}^{2})^{\sf T}(x_{j}^{2}) which induces an information-plus-noise model for Φ\Phi as long as 2m22+(m4−3m22)≠02m_{2}^{2}+(m_{4}-3m_{2}^{2})\neq 0, i.e., m4≠m22m_{4}\neq m_{2}^{2} (see (Couillet and Benaych-Georges, 2016) for details). This is visually seen in the bottom part of Figure 3 where the Gaussian scenario presents an isolated eigenvalue for Φ\Phi with corresponding structured eigenvector, which is not the case of the Bernoulli scenario. To complete this discussion, it appears relevant in the present setting to choose WijW_{ij} in such a way that m4−m22m_{4}-m_{2}^{2} is far from zero, thus suggesting the interest of heavy-tailed distributions. To confirm this prediction, Figure 3 additionally displays the performance achieved and the spectrum of Φ\Phi observed for Wij∼StudW_{ij}\sim{\rm Stud}, that is, following a Student-t distribution with degree of freedom ν=7\nu=7 normalized to unit variance (in this case m2=1m_{2}=1 and m4=5m_{4}=5). Figure 3 confirms the large superiority of this choice over the Gaussian case (note nonetheless the slight inaccuracy of our theoretical formulas in this case, which is likely due to too small values of p,n,Tp,n,T to accommodate WijW_{ij} with higher order moments, an observation which is confirmed in simulations when letting ν\nu be even smaller).

3 Limiting cases

We have suggested that Φ\Phi contains, in its dominant eigenmodes, all the usable information describing XX. In the Gaussian mixture example above, it was notably shown that Φ\Phi may completely fail to contain this information, resulting in the impossibility to perform a classification task, even if one were to take infinitely many neurons in the network. For Φ\Phi containing useful information about XX, it is intuitive to expect that both inf⁡γEˉtrain\inf_{\gamma}\bar{E}_{\rm train} and inf⁡γEˉtest\inf_{\gamma}\bar{E}_{\rm test} become smaller as n/Tn/T and n/pn/p become large. It is in fact easy to see that, if Φ\Phi is invertible (which is likely to occur in most cases if lim inf⁡nT/p>1\liminf_{n}T/p>1), then

and we fall back on the performance of a classical kernel regression. It is interesting in particular to note that, as the number of neurons nn becomes large, the effect of γ\gamma on EtestE_{\rm test} flattens out. Therefore, a smart choice of γ\gamma is only relevant for small (and thus computationally more efficient) neuron layers. This observation is depicted in Figure 4 where it is made clear that a growth of nn reduces EtrainE_{\rm train} to zero while EtestE_{\rm test} saturates to a non-zero limit which becomes increasingly irrespective of γ\gamma. Note additionally the interesting phenomenon occurring for n≤Tn\leq T where too small values of γ\gamma induce important performance losses, thereby suggesting a strong importance of proper choices of γ\gamma in this regime.

A phase transition therefore exists whereby δ\delta assumes a finite positive value in the small γ\gamma limit if r/n<1r/n<1, or scales like 1/γ1/\gamma otherwise.

If instead r>nr>n (which is the most likely outcome in practice), as γ→0\gamma\to 0, Qˉ∼1γ(nTΦΔ+IT)−1\bar{Q}\sim\frac{1}{\gamma}(\frac{n}{T}\frac{\Phi}{\Delta}+I_{T})^{-1} and thus

where ΨΔ=nTΦΔ\Psi_{\Delta}=\frac{n}{T}\frac{\Phi}{\Delta} and QΔ=(nTΦΔ+IT)−1Q_{\Delta}=(\frac{n}{T}\frac{\Phi}{\Delta}+I_{T})^{-1}.

These results suggest that neural networks should be designed both in a way that reduces the rank of Φ\Phi while maintaining a strong alignment between the dominant eigenvectors of Φ\Phi and the output matrix YY.

Proof of the Main Results

In the remainder, we shall use extensively the following notations:

Finally, because of exchangeability, it shall often be convenient to work with the generic random vector w∼Nφ(0,IT)w\sim\mathcal{N}_{\varphi}(0,I_{T}), the random vector σ\sigma distributed as any of the σi\sigma_{i}’s, the random matrix Σ−\Sigma_{-} distributed as any of the Σ−i\Sigma_{-i}’s, and with the random matrix Q−Q_{-} distributed as any of the Q−iQ_{-i}’s.

where C,c>0C,c>0 are independent of dd and λf\lambda_{f}. As a corollary (see e.g., (Ledoux, 2005, Proposition 1.10)), for every k≥1k\geq 1,

Notations: In all subsequent lemmas and proofs, the letters c,ci,C,Ci>0c,c_{i},C,C_{i}>0 will be used interchangeably as positive constants independent of the key equation parameters (notably nn and tt below) and may be reused from line to line. Additionally, the variable ε>0\varepsilon>0 will denote any small positive number; the variables c,ci,C,Cic,c_{i},C,C_{i} may depend on ε\varepsilon.

We start by recalling the first part of the statement of Lemma 1 and subsequently providing its proof.

for t0≡∣σ(0)∣+λφλσ∥X∥pTt_{0}\equiv|\sigma(0)|+\lambda_{\varphi}\lambda_{\sigma}\|X\|\sqrt{\frac{p}{T}} and C,c>0C,c>0 independent of all other parameters.

The layout of the proof is as follows: since the application w↦1TσTAσw\mapsto\frac{1}{T}\sigma^{\sf T}A\sigma is “quadratic” in ww and thus not Lipschitz (therefore not allowing for a natural transfer of the concentration of ww to 1TσTAσ\frac{1}{T}\sigma^{\sf T}A\sigma), we first prove that 1T∥σ∥\frac{1}{\sqrt{T}}\|\sigma\| satisfies a concentration inequality, which provides a high probability O(1)O(1) bound on 1T∥σ∥\frac{1}{\sqrt{T}}\|\sigma\|. Conditioning on this event, the map w↦1TσTAσw\mapsto\frac{1}{\sqrt{T}}\sigma^{\sf T}A\sigma can then be shown to be Lipschitz (by isolating one of the σ\sigma terms for bounding and the other one for retrieving the Lipschitz character) and, up to an appropriate control of concentration results under conditioning, the result is obtained.

for some c,C>0c,C>0 independent of all parameters.

Finally, using again the Lipschitz character of σ(wTX)\sigma(w^{\sf T}X),

which, with the remark t≥4t0⇒(t−t0)2≥t2/2t\geq 4t_{0}\Rightarrow(t-t_{0})^{2}\geq t^{2}/2, may be equivalently stated as

As a side (but important) remark, note that, since

and thus, since ∥⋅∥F≥∥⋅∥\|\cdot\|_{F}\geq\|\cdot\|, we have

Thus, in particular, under the additional Assumption 3, with high probability, the operator norm of ΣT\frac{\Sigma}{\sqrt{T}} cannot exceed a rate T\sqrt{T}.

The aforementioned control of ∥Σ∥\|\Sigma\| arises from the bound ∥Σ∥≤∥Σ∥F\|\Sigma\|\leq\|\Sigma\|_{F} which may be quite loose (by as much as a factor T\sqrt{T}). Intuitively, under the supplementary Assumption 3, if E[σ]≠0{\rm E}[\sigma]\neq 0, then ΣT\frac{\Sigma}{\sqrt{T}} is “dominated” by the matrix 1TE[σ]1TT\frac{1}{\sqrt{T}}{\rm E}[\sigma]1_{T}^{\sf T}, the operator norm of which is indeed of order n\sqrt{n} and the bound is tight. If σ(t)=t\sigma(t)=t and E[Wij]=0{\rm E}[W_{ij}]=0, we however know that ∥ΣT∥=O(1)\|\frac{\Sigma}{\sqrt{T}}\|=O(1) (Bai and Silverstein, 1998). One is tempted to believe that, more generally, if E[σ]=0{\rm E}[\sigma]=0, then ∥ΣT∥\|\frac{\Sigma}{\sqrt{T}}\| should remain of this order. And, if instead E[σ]≠0{\rm E}[\sigma]\neq 0, the contribution of 1TE[σ]1TT\frac{1}{\sqrt{T}}{\rm E}[\sigma]1_{T}^{\sf T} should merely engender a single large amplitude isolate singular value in the spectrum of ΣT\frac{\Sigma}{\sqrt{T}} and the other singular values remain of order O(1)O(1). These intuitions are not captured by our concentration of measure approach.

Since Σ=σ(WX)\Sigma=\sigma(WX) is an entry-wise operation, concentration results with respect to the Frobenius norm are natural, where with respect to the operator norm are hardly accessible.

Back to our present considerations, let us define the probability space AK={w, ∥σ(wTX)∥≤KT}\mathcal{A}_{K}=\{w,~{}\|\sigma(w^{\sf T}X)\|\leq K\sqrt{T}\}. Conditioning the random variable of interest in Lemma 2 with respect to AK\mathcal{A}_{K} and its complementary AKc\mathcal{A}_{K}^{c}, for some K≥4t0K\geq 4t_{0}, gives

so that, with the same remark as before, for t≥4ΔKTt\geq\frac{4\Delta}{KT},

To avoid the condition t≥4ΔKTt\geq\frac{4\Delta}{KT}, we use the fact that, probabilities being lower than one, it suffices to replace CC by λC\lambda C with λ≥1\lambda\geq 1 such that

The above inequality holds if we take for instance λ=1Ce18C2c\lambda=\frac{1}{C}e^{\frac{18C^{2}}{c}} since then t≤4ΔKT≤24Cλφ2λσ2∥X∥2cKT≤6Cλφλσ∥X∥cpTt\leq\frac{4\Delta}{KT}\leq\frac{24C\lambda_{\varphi}^{2}\lambda_{\sigma}^{2}\|X\|^{2}}{cKT}\leq\frac{6C\lambda_{\varphi}\lambda_{\sigma}\|X\|}{c\sqrt{pT}} (using successively Δ≥6Ccλφ2λσ2∥X∥2\Delta\geq\frac{6C}{c}\lambda_{\varphi}^{2}\lambda_{\sigma}^{2}\|X\|^{2} and K≥4λσλφ∥X∥pTK\geq 4\lambda_{\sigma}\lambda_{\varphi}\|X\|\sqrt{\frac{p}{T}}) and thus

Therefore, setting λ=max⁡(1,1CeC′2c2)\lambda=\max(1,\frac{1}{C}e^{\frac{{C^{\prime}}^{2}c}{2}}), we get for every t>0t>0

which, together with the inequality P(AKc)≤Ce−cTK22λφ2λσ2∥X∥2P(\mathcal{A}_{K}^{c})\leq Ce^{-\frac{cTK^{2}}{2\lambda_{\varphi}^{2}\lambda_{\sigma}^{2}\|X\|^{2}}}, gives

Indeed, if 4t0≤t4t_{0}\leq\sqrt{t} then min⁡(t2/K2,K2)=t\min(t^{2}/K^{2},K^{2})=t, while if 4t0≥t4t_{0}\geq\sqrt{t} then min⁡(t2/K2,K2)=min⁡(t2/16t02,16t02)=t2/16t02\min(t^{2}/K^{2},K^{2})=\min(t^{2}/16t_{0}^{2},16t_{0}^{2})=t^{2}/16t_{0}^{2}. ∎

As a corollary of Lemma 2, we have the following control of the moments of 1TσTAσ\frac{1}{T}\sigma^{\sf T}A\sigma.

with t0=∣σ(0)∣+λσλφ∥X∥pTt_{0}=|\sigma(0)|+\lambda_{\sigma}\lambda_{\varphi}\|X\|\sqrt{\frac{p}{T}}, η=∥X∥λσλφ\eta=\|X\|\lambda_{\sigma}\lambda_{\varphi}, and C1,C2>0C_{1},C_{2}>0 independent of the other parameters. In particular, under the additional Assumption 3,

We use the fact that, for a nonnegative random variable YY, E[Y]=∫0∞P(Y>t)dt{\rm E}[Y]=\int_{0}^{\infty}P(Y>t)dt, so that

which, along with the boundedness of the integrals, concludes the proof. ∎

Beyond concentration results on functions of the vector σ\sigma, we also have the following convenient property for functions of the matrix Σ\Sigma.

for some C,c>0C,c>0. In particular, under the additional Assumption 3,

for some C,c>0C,c>0. Let’s consider in particular g:W↦f(Σ/T)g:W\mapsto f(\Sigma/\sqrt{T}) and remark that

We can apply Lemma 3 for f:R↦1Ttr⁡(RTR−zIT)−1f:R\mapsto\frac{1}{T}\operatorname{tr}(R^{\sf T}R-zI_{T})^{-1}, since we have

Lemma 3 also allows for an important application of Lemma 2 as follows.

for some C,c>0C,c>0 independent of the other parameters.

Let f:R↦1TσTA(RTR+γIT)−1Bσf:R\mapsto\frac{1}{T}\sigma^{\sf T}A(R^{\sf T}R+\gamma I_{T})^{-1}B\sigma. Reproducing the proof of Corollary 2, conditionally to 1T∥σ∥2≤K\frac{1}{T}\|\sigma\|^{2}\leq K for any arbitrary large enough K>0K>0, it appears that ff is Lipschitz with parameter of order O(1)O(1). Along with (7) and Assumption 3, this thus ensures that

for some C,c>0C,c>0. We may then apply Lemma 1 on the bounded norm matrix AE[Q−]BA{\rm E}[Q_{-}]B to further find that

As a further corollary of Lemma 3, we have the following concentration result on the training mean-square error of the neural network under study.

for some C,c>0C,c>0 independent of the other parameters.

We apply Lemma 3 to the mapping f:R↦1Ttr⁡YTY(RTR+γIT)−2f:R\mapsto\frac{1}{T}\operatorname{tr}Y^{\sf T}Y(R^{\sf T}R+\gamma I_{T})^{-2}. Denoting Q=(RTR+γIT)−1Q=(R^{\sf T}R+\gamma I_{T})^{-1} and QH=((R+H)T(R+H)+γIT)−1Q^{H}=((R+H)^{\sf T}(R+H)+\gamma I_{T})^{-1}, remark indeed that

As ∥QH(R+H)T∥=∥QH(R+H)T(R+H)QH∥\|Q^{H}(R+H)^{\sf T}\|=\sqrt{\|Q^{H}(R+H)^{\sf T}(R+H)Q^{H}\|} and ∥RQ∥=∥QRTRQ∥\|RQ\|=\sqrt{\|QR^{\sf T}RQ\|} are bounded and 1Ttr⁡YTY\frac{1}{T}\operatorname{tr}Y^{\sf T}Y is also bounded by Assumption 3, this implies

for some C>0C>0. The function ff is thus Lipschitz with parameter independent of nn, which allows us to conclude using Lemma 3. ∎

The aforementioned concentration results are the building blocks of the proofs of Theorem 1–3 which, under all Assumptions 1–3, are established using standard random matrix approaches.

2 Asymptotic Equivalents

This section is dedicated to a first characterization of E[Q]{\rm E}[Q], in the “simultaneously large” n,p,Tn,p,T regime. This preliminary step is classical in studying resolvents in random matrix theory as the direct comparison of E[Q]{\rm E}[Q] to Qˉ\bar{Q} with the implicit δ\delta may be cumbersome. To this end, let us thus define the intermediary deterministic matrix

with α≡1Ttr⁡ΦE[Q−]\alpha\equiv\frac{1}{T}\operatorname{tr}\Phi{\rm E}[Q_{-}], where we recall that Q−Q_{-} is a random matrix distributed as, say, (1TΣTΣ−1Tσ1σ1T+γIT)−1(\frac{1}{T}\Sigma^{\sf T}\Sigma-\frac{1}{T}\sigma_{1}\sigma_{1}^{\sf T}+\gamma I_{T})^{-1}.

First note that, since 1Ttr⁡Φ=E[1T∥σ∥2]\frac{1}{T}\operatorname{tr}\Phi={\rm E}[\frac{1}{T}\|\sigma\|^{2}] and, from (7) and Assumption 3, P(1T∥σ∥2>t)≤Ce−cnt2P(\frac{1}{T}\|\sigma\|^{2}>t)\leq Ce^{-cnt^{2}} for all large tt, we find that 1Ttr⁡Φ=∫0∞t2P(1T∥σ∥2>t)dt≤C′\frac{1}{T}\operatorname{tr}\Phi=\int_{0}^{\infty}t^{2}P(\frac{1}{T}\|\sigma\|^{2}>t)dt\leq C^{\prime} for some constant C′C^{\prime}. Thus, α≤∥E[Q−]∥1Ttr⁡Φ≤C′γ\alpha\leq\|{\rm E}[Q_{-}]\|\frac{1}{T}\operatorname{tr}\Phi\leq\frac{C^{\prime}}{\gamma} is uniformly bounded.

which, from Lemma 6, gives, for Q−i=(1TΣTΣ−1TσiσiT+γIT)−1Q_{-i}=(\frac{1}{T}\Sigma^{\sf T}\Sigma-\frac{1}{T}\sigma_{i}\sigma_{i}^{\sf T}+\gamma I_{T})^{-1},

Note now, from the independence of Q−iQ_{-i} and σiσiT\sigma_{i}\sigma_{i}^{\sf T}, that the second right-hand side expectation is simply E[Q−i]Φ{\rm E}[Q_{-i}]\Phi. Also, exploiting Lemma 6 in reverse on the rightmost term, this gives

We study the two right-hand side terms of (5.2.1) independently.

For the first term, since Q−Q−i=−Q1TσiσiTQ−iQ-Q_{-i}=-Q\frac{1}{T}\sigma_{i}\sigma_{i}^{\sf T}Q_{-i},

where we used again Lemma 6 in reverse. Denoting D=diag⁡({1+1TσiTQ−iσi}i=1n)D=\operatorname{\rm diag}(\{1+\frac{1}{T}\sigma_{i}^{\sf T}Q_{-i}\sigma_{i}\}_{i=1}^{n}), this can be compactly written

for some C,c>0C,c>0, so in particular, recalling that α≤C′\alpha\leq C^{\prime} for some constant C′>0C^{\prime}>0,

As a consequence of all the above (and of the boundedness of α\alpha), we have that, for some c>0c>0,

where D2=diag({1TσiTQ−iσi−α}i=1n)D_{2}={\rm diag}(\{\frac{1}{T}\sigma_{i}^{\sf T}Q_{-i}\sigma_{i}-\alpha\}_{i=1}^{n}). Of course, since we also have −aaT−bbT⪯abT+baT-aa^{\sf T}-bb^{\sf T}\preceq ab^{\sf T}+ba^{\sf T} (from (a+b)(a+b)T⪰0(a+b)(a+b)^{\sf T}\succeq 0), we have symmetrically

so that, with a similar reasoning as in the proof of Corollary 1,

where we additionally used ∥QΣ∥≤T\|Q\Sigma\|\leq\sqrt{T} in the first inequality.

Together with (5.2.1), we thus conclude that

where the first equality holds by exchangeability arguments.

where |\frac{1}{T}\operatorname{tr}\Phi({\rm E}[Q_{-}]-{\rm E}[Q])|\leq{\color[rgb]{0,0,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0,0}\pgfsys@color@gray@stroke{0}\pgfsys@color@gray@fill{0}\frac{c}{n}}. And thus, by the previous result,

We have proved in the beginning of the section that 1Ttr⁡Φ\frac{1}{T}\operatorname{tr}\Phi is bounded and thus we finally conclude that

2.2 Second Equivalent for E​[Q]Edelimited-[]𝑄{\rm E}[Q]

In this section, we show that E[Q]{\rm E}[Q] can be approximated by the matrix Qˉ\bar{Q}, which we recall is defined as

where δ>0\delta>0 is the unique positive solution to δ=1Ttr⁡ΦQˉ\delta=\frac{1}{T}\operatorname{tr}\Phi\bar{Q}. The fact that δ>0\delta>0 is well defined is quite standard and has already been proved several times for more elaborate models. Following the ideas of (Hoydis, Couillet and Debbah, 2013), we may for instance use the framework of so-called standard interference functions (Yates, 1995) which claims that, if a map f:[0,∞)→(0,∞)f:[0,\infty)\to(0,\infty), x↦f(x)x\mapsto f(x), satisfies x≥x′⇒f(x)≥f(x′)x\geq x^{\prime}\Rightarrow f(x)\geq f(x^{\prime}), ∀a>1,af(x)>f(ax)\forall a>1,af(x)>f(ax) and there exists x0x_{0} such that x0≥f(x0)x_{0}\geq f(x_{0}), then ff has a unique fixed point (Yates, 1995, Th 2). It is easily shown that δ↦1Ttr⁡ΦQˉ\delta\mapsto\frac{1}{T}\operatorname{tr}\Phi\bar{Q} is such a map, so that δ\delta exists and is unique.

to prove that ∣α−δ∣≤cnε−12|\alpha-\delta|\leq cn^{\varepsilon-\frac{1}{2}}. To this end, note that, by Cauchy–Schwarz’s inequality,

so that it is sufficient to bound the limsup of both terms under the square root strictly by one. Next, remark that

But at the same time, since ∥(nTΦ+γIT)−1∥≤γ−1\|(\frac{n}{T}\Phi+\gamma I_{T})^{-1}\|\leq\gamma^{-1},

the limsup of which is bounded. We thus conclude that

Similarly, α\alpha, which is known to be bounded, satisfies

which completes to prove that ∣α−δ∣≤cnε−12|\alpha-\delta|\leq cn^{\varepsilon-\frac{1}{2}}.

and we have thus proved that ∥E[Q]−Qˉ∥≤cn−12+ε\|{\rm E}[Q]-\bar{Q}\|\leq cn^{-\frac{1}{2}+\varepsilon} for some c>0c>0.

From this result, along with Corollary 2, we now have that

The evaluation of the second order statistics of the neural network under study requires, beside E[Q]{\rm E}[Q], to evaluate the more involved form E[QAQ]{\rm E}[QAQ], where AA is a symmetric matrix either equal to Φ\Phi or of bounded norm (so in particular ∥QˉA∥\|\bar{Q}A\| is bounded). To evaluate this quantity, first write

Of course, since QAQQAQ is symmetric, we may write

which will reveal more practical to handle.

First note that, since ∥E[Q]−Qˉ∥≤Cnε−12\left\|{\rm E}[Q]-\bar{Q}\right\|\leq Cn^{\varepsilon-\frac{1}{2}} and AA is such that ∥QˉA∥\|\bar{Q}A\| is bounded, ∥E[QˉAQ]−QˉAQˉ]∥≤∥QˉA∥∥E[Q]−Qˉ∥≤C′nε−12\|{\rm E}[\bar{Q}AQ]-\bar{Q}A\bar{Q}]\|\leq\|\bar{Q}A\|\|{\rm E}[Q]-\bar{Q}\|\leq C^{\prime}n^{\varepsilon-\frac{1}{2}}, which provides an estimate for the first expectation. We next evaluate the last right-hand side expectation above. With the same notations as previously, from exchangeability arguments and using Q=Q−−Q1TσσTQ−Q=Q_{-}-Q\frac{1}{T}\sigma\sigma^{\sf T}Q_{-}, observe that

which, reusing Q=Q−−Q1TσσTQ−Q=Q_{-}-Q\frac{1}{T}\sigma\sigma^{\sf T}Q_{-}, is further decomposed as

(where in the previous to last line, we have merely reorganized the terms conveniently) and our interest is in handling Z1+Z1T+Z2+Z2T+Z3+Z3T+Z4+Z4TZ_{1}+Z_{1}^{\sf T}+Z_{2}+Z_{2}^{\sf T}+Z_{3}+Z_{3}^{\sf T}+Z_{4}+Z_{4}^{\sf T}. Let us first treat term Z2Z_{2}. Since QˉAQ−\bar{Q}AQ_{-} is bounded, by Lemma 4, 1TσTQˉAQ−σ\frac{1}{T}\sigma^{\sf T}\bar{Q}AQ_{-}\sigma concentrates around 1Ttr⁡ΦQˉAE[Q−]\frac{1}{T}\operatorname{tr}\Phi\bar{Q}AE[Q_{-}]; but, as ∥ΦQˉ∥\|\Phi\bar{Q}\| is bounded, we also have ∣1Ttr⁡ΦQˉAE[Q−]−1Ttr⁡ΦQˉAQˉ∣≤cnε−12|\frac{1}{T}\operatorname{tr}\Phi\bar{Q}AE[Q_{-}]-\frac{1}{T}\operatorname{tr}\Phi\bar{Q}A\bar{Q}|\leq cn^{\varepsilon-\frac{1}{2}}. We thus deduce, with similar arguments as previously, that

with probability exponentially close to one, in the order of symmetric matrices. Taking expectation and norms on both sides, and conditioning on the aforementioned event and its complementary, we thus have that

with D=diag⁡({1+1TσiTQ−σi})D=\operatorname{\rm diag}(\{1+\frac{1}{T}\sigma_{i}^{\sf T}Q_{-}\sigma_{i}\}), the operator norm of which is bounded as O(1). So finally,

We now move to term Z3+Z3TZ_{3}+Z_{3}^{\sf T}. Using the relation abT+baT⪯aaT+bbTab^{\sf T}+ba^{\sf T}\preceq aa^{\sf T}+bb^{\sf T},

and the symmetrical lower bound (equal to the opposite of the upper bound), where D3=diag⁡((δ−1TσiTQ−iσi)/(1+1TσiTQ−iσi))D_{3}=\operatorname{\rm diag}((\delta-\frac{1}{T}\sigma_{i}^{\sf T}Q_{-i}\sigma_{i})/(1+\frac{1}{T}\sigma_{i}^{\sf T}Q_{-i}\sigma_{i})). For the same reasons as above, the first right-hand side term is bounded by Cnε−12Cn^{\varepsilon-\frac{1}{2}}. As for the second term, for A=ITA=I_{T}, it is clearly bounded; for A=ΦA=\Phi, using nTQˉΦ1+δ=IT−γQˉ\frac{n}{T}\frac{\bar{Q}\Phi}{1+\delta}=I_{T}-\gamma\bar{Q}, E[Q−AQˉΦQˉAQ−]{\rm E}[Q_{-}A\bar{Q}\Phi\bar{Q}AQ_{-}] can be expressed in terms of E[Q−ΦQ−]{\rm E}[Q_{-}\Phi Q_{-}] and E[Q−QˉkΦQ−]{\rm E}[Q_{-}\bar{Q}^{k}\Phi Q_{-}] for k=1,2k=1,2, all of which have been shown to be bounded (at most by CnεCn^{\varepsilon}). We thus conclude that

Finally, term Z4Z_{4} can be handled similarly as term Z2Z_{2} and is shown to be of norm bounded by Cnε−12Cn^{\varepsilon-\frac{1}{2}}.

As a consequence of all the above, we thus find that

It is attractive to feel that the sum of the second and third terms above vanishes. This is indeed verified by observing that, for any matrix BB,

with D=diag⁡(1+1TσiTQ−iσi)D=\operatorname{\rm diag}(1+\frac{1}{T}\sigma_{i}^{\sf T}Q_{-i}\sigma_{i}), and a similar reasoning is performed to control E[Q−BQ]−E[Q−BQ−]{\rm E}[Q_{-}BQ]-{\rm E}[Q_{-}BQ_{-}] and E[QBQ−]−E[Q−BQ−]{\rm E}[QBQ_{-}]-{\rm E}[Q_{-}BQ_{-}]. For BB bounded, ∥E[Q1TΣTDΣQBQ]∥\|{\rm E}[Q\frac{1}{T}\Sigma^{\sf T}D\Sigma QBQ]\| is bounded as O(1)O(1), and thus ∥E[QBQ]−E[Q−BQ−]∥\|{\rm E}[QBQ]-{\rm E}[Q_{-}BQ_{-}]\| is of order O(n−1)O(n^{-1}). So in particular, taking AA of bounded norm, we find that

Take now B=ΦB=\Phi. Then, from the relation ABT+BAT⪯AAT+BBTAB^{\sf T}+BA^{\sf T}\preceq AA^{\sf T}+BB^{\sf T} in the order of symmetric matrices,

The first norm in the parenthesis is bounded by CnεCn^{\varepsilon} and it thus remains to control the second norm. To this end, similar to the control of E[QΦQ]{\rm E}[Q\Phi Q], by writing E[QΦQΦQ]=E[Qσ1σ1TQσ2σ2TQ]{\rm E}[Q\Phi Q\Phi Q]={\rm E}[Q\sigma_{1}\sigma_{1}^{\sf T}Q\sigma_{2}\sigma_{2}^{\sf T}Q] for σ1,σ2\sigma_{1},\sigma_{2} independent vectors with the same law as σ\sigma, and exploiting the exchangeability, we obtain after some calculus that E[QΦQ]{\rm E}[Q\Phi Q] can be expressed as the sum of terms of the form E[Q++1TΣ++TDΣ++Q++]{\rm E}[Q_{++}\frac{1}{T}\Sigma_{++}^{\sf T}D\Sigma_{++}Q_{++}] or E[Q++1TΣ++TDΣ++Q++1TΣ++TD2Σ++Q++]{\rm E}[Q_{++}\frac{1}{T}\Sigma_{++}^{\sf T}D\Sigma_{++}Q_{++}\frac{1}{T}\Sigma_{++}^{\sf T}D_{2}\Sigma_{++}Q_{++}] for D,D2D,D_{2} diagonal matrices of norm bounded as O(1)O(1), while Σ++\Sigma_{++} and Q++Q_{++} are similar as Σ\Sigma and QQ, only for nn replaced by n+2n+2. All these terms are bounded as O(1)O(1) and we finally obtain that E[QΦQΦQ]{\rm E}[Q\Phi Q\Phi Q] is bounded and thus

With the additional control on QΦQ−−Q−ΦQ−Q\Phi Q_{-}-Q_{-}\Phi Q_{-} and Q−ΦQ−Q−ΦQ−Q_{-}\Phi Q-Q_{-}\Phi Q_{-}, together, this implies that {\rm E}[Q\Phi Q]={\rm E}[Q_{-}\Phi Q_{-}]+O_{\|\cdot\|}({\color[rgb]{0,0,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0,0}\pgfsys@color@gray@stroke{0}\pgfsys@color@gray@fill{0}n^{-1}}). Hence, for A=ΦA=\Phi, exploiting the fact that nT11+δΦQˉΦ=Φ−γQˉΦ\frac{n}{T}\frac{1}{1+\delta}\Phi\bar{Q}\Phi=\Phi-\gamma\bar{Q}\Phi, we have the simplification

We have already shown in (11) that lim sup⁡nnT1Ttr⁡Φ2Qˉ2(1+δ)2<1\limsup_{n}\frac{n}{T}\frac{\frac{1}{T}\operatorname{tr}\Phi^{2}\bar{Q}^{2}}{(1+\delta)^{2}}<1 and thus

which proves immediately Proposition 1 and Theorem 3.

In this section, we evaluate the terms Φab\Phi_{ab} provided in Table 1. The proof for the term corresponding to σ(t)=erf(t)\sigma(t)={\rm erf}(t) can be already be found in (Williams, 1998, Section 3.1) and is not recalled here. For the other functions σ(⋅)\sigma(\cdot), we follow a similar approach as in (Williams, 1998), as detailed next.

The evaluation of Φab\Phi_{ab} for w∼N(0,Ip)w\sim\mathcal{N}(0,I_{p}) requires to estimate

Assume that aa and bb and not linearly dependent. It is convenient to observe that this integral can be reduced to a two-dimensional integration by considering the basis e1,…,epe_{1},\ldots,e_{p} defined (for instance) by

The case where aa and bb would be linearly dependent can then be obtained by continuity arguments.

It is worth noticing that this may be more compactly written as

which is minimum for ∠(a,b)→−1\angle(a,b)\to-1 (since arccos⁡(−x)≥0\arccos(-x)\geq 0 on $)andtakestherethelimitingvaluezero.Hence) and takes there the limiting value zero. Hence\mathcal{I}>0forforaandandb$ not linearly dependent.

For aa and bb linearly dependent, we simply have I=0\mathcal{I}=0 for ∠(a,b)=−1\angle(a,b)=-1 and I=12∥a∥∥b∥\mathcal{I}=\frac{1}{2}\|a\|\|b\| for ∠(a,b)=1\angle(a,b)=1.

Since ∣t∣=max⁡(t,0)+max⁡(−t,0)|t|=\max(t,0)+\max(-t,0), we have

Hence, reusing the results above, we have here

Using the identity acos⁡(−x)−acos⁡(x)=2asin⁡(x)\operatorname{acos}(-x)-\operatorname{acos}(x)=2\operatorname{asin}(x) provides the expected result.

With the same notations as in the case σ(t)=max⁡(t,0)\sigma(t)=\max(t,0), we have to evaluate

After a polar coordinate change of variable, this is

Here it suffices to note that sign(t)=1t≥0−1−t≥0{\rm sign}(t)=1_{t\geq 0}-1_{-t\geq 0} so that

and to apply the result of the previous section, with either (a,b)(a,b), (−a,b)(-a,b), (a,−b)(a,-b) or (−a,−b)(-a,-b). Since arccos⁡(−x)=−arccos⁡(x)+π\arccos(-x)=-\arccos(x)+\pi, we conclude that

Let us first consider σ(t)=cos⁡(t)\sigma(t)=\cos(t). We have here to evaluate

For σ(t)=sin⁡(t)\sigma(t)=\sin(t), it suffices to appropriately adapt the signs in the expression of I\mathcal{I} (using the relation sin⁡(t)=12ı(et+e−t)\sin(t)=\frac{1}{2\imath}(e^{t}+e^{-t})) to obtain in the end

4 Polynomial σ​(⋅)𝜎⋅\sigma(\cdot) and generic w𝑤w

where we recall the definition (a2)=[a12,…,ap2]T(a^{2})=[a_{1}^{2},\ldots,a_{p}^{2}]^{\sf T}. Gathering all the terms for appropriate selections of c,dc,d leads to (3.3).

5 Heuristic derivation of Conjecture 1

Conjecture 1 essentially follows as an aftermath of Remark 1. We believe that, similar to Σ\Sigma, Σ^\hat{\Sigma} is expected to be of the form Σ^=Σ^∘+σˉ^1T^T\hat{\Sigma}=\hat{\Sigma}^{\circ}+\hat{\bar{\sigma}}1_{\hat{T}}^{\sf T}, where σˉ^=E[σ(wTX^)]T\hat{\bar{\sigma}}={\rm E}[\sigma(w^{\sf T}\hat{X})]^{\sf T}, with ∥Σ^∘T∥≤nε\|\frac{\hat{\Sigma}^{\circ}}{\sqrt{T}}\|\leq n^{\varepsilon} with high probability. Besides, if X,X^X,\hat{X} were chosen as constituted of Gaussian mixture vectors, with non-trivial growth rate conditions as introduced in (Couillet and Benaych-Georges, 2016), it is easily seen that σˉ=c1p+v\bar{\sigma}=c1_{p}+v and σˉ^=c1p+v^\hat{\bar{\sigma}}=c1_{p}+\hat{v}, for some constant cc and ∥v∥,∥v^∥=O(1)\|v\|,\|\hat{v}\|=O(1).

This subsequently ensures that ΦXX^\Phi_{X\hat{X}} and ΦX^X^\Phi_{\hat{X}\hat{X}} would be of a similar form ΦXX^∘+σˉσˉ^T\Phi_{X\hat{X}}^{\circ}+\bar{\sigma}\hat{\bar{\sigma}}^{\sf T} and ΦX^X^∘+σˉ^σˉ^T\Phi_{\hat{X}\hat{X}}^{\circ}+\hat{\bar{\sigma}}\hat{\bar{\sigma}}^{\sf T} with ΦXX^∘\Phi_{X\hat{X}}^{\circ} and ΦX^X^∘\Phi_{\hat{X}\hat{X}}^{\circ} of bounded norm. These facts, that would require more advanced proof techniques, let envision the following heuristic derivation for Conjecture 1.

Recall that our interest is on the test performance EtestE_{\rm test} defined as

If Σ^=Σ^∘+σˉ^1T^T\hat{\Sigma}=\hat{\Sigma}^{\circ}+\hat{\bar{\sigma}}1_{\hat{T}}^{\sf T} follows the aforementioned claimed operator norm control, reproducing the steps of Corollary 3 leads to a similar concentration for EtestE_{\rm test}, which we shall then admit. We are therefore left to evaluating E[Z2]{\rm E}[Z_{2}] and E[Z3]{\rm E}[Z_{3}].

We start with the term E[Z2]{\rm E}[Z_{2}], which we expand as

with D=diag⁡({δ−1TσiTQ−iσi})D=\operatorname{\rm diag}(\{\delta-\frac{1}{T}\sigma_{i}^{\sf T}Q_{-i}\sigma_{i}\}), the operator norm of which is bounded by nε−12n^{\varepsilon-\frac{1}{2}} with high probability. Now, observe that, again with the assumption that Σ^=Σ^∘+σˉ1T^T\hat{\Sigma}=\hat{\Sigma}^{\circ}+\bar{\sigma}1_{\hat{T}}^{\sf T} with controlled Σ^∘\hat{\Sigma}^{\circ}, Z22Z_{22} may be decomposed as

In the display above, the first right-hand side term is now of order O(nε−12)O(n^{\varepsilon-\frac{1}{2}}). As for the second right-hand side term, note that DσˉD\bar{\sigma} is a vector of independent and identically distributed zero mean and variance O(n−1)O(n^{-1}) entries; while note formally independent of YQΣTYQ\Sigma^{\sf T}, it is nonetheless expected that this independence “weakens” asymptotically (a behavior several times observed in linear random matrix models), so that one expects by central limit arguments that the second right-hand side term be also of order O(nε−12)O(n^{\varepsilon-\frac{1}{2}}).

where we used ∥E[Q−]−Qˉ∥≤Cnε−12\|{\rm E}[Q_{-}]-\bar{Q}\|\leq Cn^{\varepsilon-\frac{1}{2}} and the definition ΨXX^=nTΦXX^1+δ\Psi_{X\hat{X}}=\frac{n}{T}\frac{\Phi_{X\hat{X}}}{1+\delta}.

We then move on to E[Z3]{\rm E}[Z_{3}] of Equation (12), which can be developed as

In the term Z32Z_{32}, reproducing the proof of Lemma 1 with the condition ∥X^∥\|\hat{X}\| bounded, we obtain that σ^iTσ^iT^\frac{\hat{\sigma}_{i}^{\sf T}\hat{\sigma}_{i}}{\hat{T}} concentrates around 1T^tr⁡ΦX^X^\frac{1}{\hat{T}}\operatorname{tr}\Phi_{\hat{X}\hat{X}}, which allows us to write

with D=diag⁡({1T^σiTσ^i−1T^tr⁡ΦT^T^}i=1n)D=\operatorname{\rm diag}(\{\frac{1}{\hat{T}}\sigma_{i}^{\sf T}\hat{\sigma}_{i}-\frac{1}{\hat{T}}\operatorname{tr}\Phi_{\hat{T}\hat{T}}\}_{i=1}^{n}) and thus Z322Z_{322} can be rewritten as

while for Z321Z_{321}, following the same arguments as previously, we have

where D=diag⁡({(1+δ)2−(1+1TσiTQ−iσi)2}i=1n)D=\operatorname{\rm diag}(\{(1+\delta)^{2}-(1+\frac{1}{T}\sigma_{i}^{\sf T}Q_{-i}\sigma_{i})^{2}\}_{i=1}^{n}).

Since E[Q−AQ−]=E[QAQ]+O∥⋅∥(nε−12){\rm E}[Q_{-}AQ_{-}]={\rm E}[QAQ]+O_{\|\cdot\|}(n^{\varepsilon-\frac{1}{2}}), we are free to plug in the asymptotic equivalent of E[QAQ]{\rm E}[QAQ] derived in Section 5.2.3, and we deduce

The term Z31Z_{31} of the double sum over ii and jj (j≠ij\neq i) needs more efforts. To handle this term, we need to remove the dependence of both σi\sigma_{i} and σj\sigma_{j} in QQ in sequence. We start with jj as follows:

where in the previous to last inequality we used the relation

For Z311Z_{311}, we replace 1+1TσjTQ−jσj1+\frac{1}{T}\sigma_{j}^{\sf T}{Q_{-j}}\sigma_{j} by 1+δ1+\delta and take expectation over wjw_{j}

The idea to handle Z3112Z_{3112} is to retrieve forms of the type ∑j=1ndjσ^jσjT=Σ^TDΣ\sum_{j=1}^{n}d_{j}\hat{\sigma}_{j}\sigma_{j}^{\sf T}=\hat{\Sigma}^{\sf T}D\Sigma for some DD satisfying ∥D∥≤nε−12\|D\|\leq n^{\varepsilon-\frac{1}{2}} with high probability. To this end, we use

and thus Z3112Z_{3112} can be expanded as the sum of three terms that shall be studied in order:

where D=diag⁡({δ−1TσjTQ−jσj}i=1n)D=\operatorname{\rm diag}(\{\delta-\frac{1}{T}\sigma_{j}^{\sf T}Q_{-j}\sigma_{j}\}_{i=1}^{n}). First, Z31121Z_{31121} is of order O(nε−12)O(n^{\varepsilon-\frac{1}{2}}) since QΣTΣ^TQ\frac{\Sigma^{\sf T}\hat{\Sigma}}{T} is of bounded operator norm. Subsequently, Z31122Z_{31122} can be rewritten as

The same arguments apply for Z31123Z_{31123} but for

which completes to show that ∣Z3112∣≤Cnε−12|Z_{3112}|\leq Cn^{\varepsilon-\frac{1}{2}} and thus

It remains to handle Z3111Z_{3111}. Under the same claims as above, we have

where we introduced the notation Q−ij=(1TΣTΣ−1TσiσiT−1TσjσjT+γIT)−1Q_{-ij}=(\frac{1}{T}\Sigma^{\sf T}\Sigma-\frac{1}{T}\sigma_{i}\sigma_{i}^{\sf T}-\frac{1}{T}\sigma_{j}\sigma_{j}^{\sf T}+\gamma I_{T})^{-1}. For Z31111Z_{31111}, we replace 1TσiTQ−ijσi\frac{1}{T}\sigma_{i}^{\sf T}{Q_{-ij}}\sigma_{i} by δ\delta, and take the expectation over wiw_{i}, as follows

with Q−−Q_{--} having the same law as Q−ijQ_{-ij}, D=diag⁡({δ−1TσiTQ−ijσi}i=1n)D=\operatorname{\rm diag}(\{\delta-\frac{1}{T}\sigma_{i}^{\sf T}{Q_{-ij}}\sigma_{i}\}_{i=1}^{n}) and D′=diag⁡{(δ−1TσiTQ−ijσi)1Ttr⁡(ΦX^XQ−ijΦXX^)(1−1TσiTQ−jσi)(1+1TσiTQ−ijσi)}i=1nD^{\prime}=\operatorname{\rm diag}\left\{\frac{(\delta-\frac{1}{T}\sigma_{i}^{\sf T}{Q_{-ij}}\sigma_{i})\frac{1}{T}\operatorname{tr}\left(\Phi_{\hat{X}{X}}{Q_{-ij}}\Phi_{X\hat{X}}\right)}{(1-\frac{1}{T}\sigma_{i}^{\sf T}{Q_{-j}}\sigma_{i})(1+\frac{1}{T}\sigma_{i}^{\sf T}{Q_{-ij}}\sigma_{i})}\right\}_{i=1}^{n}, both expected to be of order O(nε−12)O(n^{\varepsilon-\frac{1}{2}}). Using again the asymptotic equivalent of E[QAQ]{\rm E}[QAQ] devised in Section 5.2.3, we then have

Following the same principle, we deduce for Z31112Z_{31112} that

with Di=1Ttr⁡(ΦX^XQ−ijΦXX^)[(1+δ)2−(1+1TσiTQ−ijσi)2]D_{i}=\frac{1}{T}\operatorname{tr}\left(\Phi_{\hat{X}{X}}Q_{-ij}\Phi_{X\hat{X}}\right)\left[(1+\delta)^{2}-(1+\frac{1}{T}\sigma_{i}^{\sf T}{Q_{-ij}}\sigma_{i})^{2}\right], also believed to be of order O(nε−12)O(n^{\varepsilon-\frac{1}{2}}). Recalling the fact that Z311=Z3111+O(nε−12)Z_{311}=Z_{3111}+O(n^{\varepsilon-\frac{1}{2}}), we can thus conclude for Z311Z_{311} that

Since Q−j1TΣ−jTΣ^−jQ_{-j}\frac{1}{T}\Sigma_{-j}^{\sf T}\hat{\Sigma}_{-j} is expected to be of bounded norm, using the concentration inequality of the quadratic form 1TσjTQ−jΣ−jTΣ^−jTσ^j\frac{1}{T}\sigma_{j}^{\sf T}{Q_{-j}}\frac{\Sigma_{-j}^{\sf T}\hat{\Sigma}_{-j}}{T}\hat{\sigma}_{j}, we infer

We again replace 1TσjTQ−jσj\frac{1}{T}\sigma_{j}^{\sf T}{Q_{-j}}\sigma_{j} by δ\delta and take expectation over wjw_{j} to obtain

with Dj=(1+δ)2−(1+1TσjTQ−jσj)2=O(nε−12)D_{j}=(1+\delta)^{2}-(1+\frac{1}{T}\sigma_{j}^{\sf T}Q_{-j}\sigma_{j})^{2}=O(n^{\varepsilon-\frac{1}{2}}), which eventually brings the second term to vanish, and we thus get

For the term 1T2tr⁡(Q−Σ−TΣ^−ΦX^X)\frac{1}{T^{2}}\operatorname{tr}\left(Q_{-}\Sigma_{-}^{\sf T}\hat{\Sigma}_{-}\Phi_{\hat{X}{X}}\right) we apply again the concentration inequality to get

with high probability, where D=diag⁡({δ−1TσiTQ−ijσi}i=1n)D=\operatorname{\rm diag}(\{\delta-\frac{1}{T}\sigma_{i}^{\sf T}{Q_{-ij}}\sigma_{i}\}_{i=1}^{n}), the norm of which is of order O(nε−12)O(n^{\varepsilon-\frac{1}{2}}). This entails

with high probability. Once more plugging the asymptotic equivalent of E[QAQ]{\rm E}[QAQ] deduced in Section 5.2.3, we conclude for Z312Z_{312} that

Combining the estimates of E[Z2]{\rm E}[Z_{2}] as well as Z31Z_{31} and Z32Z_{32}, we finally have the estimates for the test error defined in (12) as

Since by definition, Qˉ=(ΨX+γIT)−1\bar{Q}=\left(\Psi_{X}+\gamma{I_{T}}\right)^{-1}, we may use

in the second term in brackets to finally retrieve the form of Conjecture 1.

Concluding Remarks

This article provides a possible direction of exploration of random matrices involving entry-wise non-linear transformations (here through the function σ(⋅)\sigma(\cdot)), as typically found in modelling neural networks, by means of a concentration of measure approach. The main advantage of the method is that it leverages the concentration of an initial random vector ww (here a Lipschitz function of a Gaussian vector) to transfer concentration to all vector σ\sigma (or matrix Σ\Sigma) being Lipschitz functions of ww. This induces that Lipschitz functionals of σ\sigma (or Σ\Sigma) further satisfy concentration inequalities and thus, if the Lipschitz parameter scales with nn, convergence results as n→∞n\to\infty. With this in mind, note that we could have generalized our input-output model z=βTσ(Wx)z=\beta^{\sf T}\sigma(Wx) of Section 2 to

Despite its simplicity, the concentration method also has some strong limitations that presently do not allow for a sufficiently profound analysis of the testing mean square error. We believe that Conjecture 1 can be proved by means of more elaborate methods. Notably, we believe that the powerful Gaussian method advertised in (Pastur and Ŝerbina, 2011) which relies on Stein’s lemma and the Poincaré–Nash inequality could provide a refined control of the residual terms involved in the derivation of Conjecture 1. However, since Stein’s lemma (which states that E[xϕ(x)]=E[ϕ′(x)]{\rm E}[x\phi(x)]={\rm E}[\phi^{\prime}(x)] for x∼N(0,1)x\sim\mathcal{N}(0,1) and differentiable polynomially bounded ϕ\phi) can only be used on products xϕ(x)x\phi(x) involving the linear component xx, the latter is not directly accessible; we nonetheless believe that appropriate ansatzs of Stein’s lemma, adapted to the non-linear setting and currently under investigation, could be exploited.

As a striking example, one key advantage of such a tool would be the possibility to evaluate expectations of the type Z=E[σσT(1TσTQ−σ−α)]Z={\rm E}[\sigma\sigma^{\sf T}(\frac{1}{T}\sigma^{\sf T}Q_{-}\sigma-\alpha)] which, in our present analysis, was shown to be bounded in the order of symmetric matrices by ΦCnε−12\Phi Cn^{\varepsilon-\frac{1}{2}} with high probability. Thus, if no matrix (such as Qˉ\bar{Q}) pre-multiplies ZZ, since ∥Φ∥\|\Phi\| can grow as large as O(n)O(n), ZZ cannot be shown to vanish. But such a bound does not account for the fact that Φ\Phi would in general be unbounded because of the term σˉσˉT\bar{\sigma}\bar{\sigma}^{\sf T} in the display Φ=σˉσˉT+E[(σ−σˉ)(σ−σˉ)T]\Phi=\bar{\sigma}\bar{\sigma}^{\sf T}+{\rm E}[(\sigma-\bar{\sigma})(\sigma-\bar{\sigma})^{\sf T}], where σˉ=E[σ]\bar{\sigma}={\rm E}[\sigma]. Intuitively, the “mean” contribution σˉσˉT\bar{\sigma}\bar{\sigma}^{\sf T} of σσT\sigma\sigma^{\sf T}, being post-multiplied in ZZ by 1TσTQ−σ−α\frac{1}{T}\sigma^{\sf T}Q_{-}\sigma-\alpha (which averages to zero) disappears; and thus only smaller order terms remain. We believe that the aforementioned ansatzs for the Gaussian tools would be capable of subtly handling this self-averaging effect on ZZ to prove that ∥Z∥\|Z\| vanishes (for σ(t)=t\sigma(t)=t, it is simple to show that ∥Z∥≤Cn−1\|Z\|\leq Cn^{-1}). In addition, Stein’s lemma-based methods only require the differentiability of σ(⋅)\sigma(\cdot), which need not be Lipschitz, thereby allowing for a larger class of activation functions.

As suggested in the simulations of Figure 2, our results also seem to extend to non continuous functions σ(⋅)\sigma(\cdot). To date, we cannot envision a method allowing to tackle this setting.

In terms of neural network applications, the present article is merely a first step towards a better understanding of the “hardening” effect occurring in large dimensional networks with numerous samples and large data points (that is, simultaneously large n,p,Tn,p,T), which we exemplified here through the convergence of mean-square errors. The mere fact that some standard performance measure of these random networks would “freeze” as n,p,Tn,p,T grow at the predicted regime and that the performance would heavily depend on the distribution of the random entries is already in itself an interesting result to neural network understanding and dimensioning. However, more interesting questions remain open. Since neural networks are today dedicated to classification rather than regression, a first question is the study of the asymptotic statistics of the output z=βTσ(Wx)z=\beta^{\sf T}\sigma(Wx) itself; we believe that zz satisfies a central limit theorem with mean and covariance allowing for assessing the asymptotic misclassification rate.

A further extension of the present work would be to go beyond the single-layer network and include multiple layers (finitely many or possibly a number scaling with nn) in the network design. The interest here would be on the key question of the best distribution of the number of neurons across the successive layers.

It is also classical in neural networks to introduce different (possibly random) biases at the neuron level, thereby turning σ(t)\sigma(t) into σ(t+b)\sigma(t+b) for a random variable bb different for each neuron. This has the effect of mitigating the negative impact of the mean E[σ(wiTxj)]{\rm E}[\sigma(w_{i}^{\sf T}x_{j})], which is independent of the neuron index ii.

Finally, neural networks, despite their having been recently shown to operate almost equally well when taken random in some very specific scenarios, are usually only initiated as random networks before being subsequently trained through backpropagation of the error on the training dataset (that is, essentially through convex gradient descent). We believe that our framework can allow for the understanding of at least finitely many steps of gradient descent, which may then provide further insights into the overall performance of deep learning networks.

Appendix A Intermediary Lemmas

This section recalls some elementary algebraic relations and identities used throughout the proof section.

For invertible matrices A,BA,B, A−1−B−1=A−1(B−A)B−1A^{-1}-B^{-1}=A^{-1}(B-A)B^{-1}.

where dist(x,A){\rm dist}(x,\mathcal{A}) is the Hausdorff distance of a point to a set. In particular, for γ>0\gamma>0, ∥(A+γIT)−1∥≤γ−1\|(A+\gamma I_{T})^{-1}\|\leq\gamma^{-1} and ∥A(A+γIT)−1∥≤1\|A(A+\gamma I_{T})^{-1}\|\leq 1.

References