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 and the random distribution of the entries of in random feature maps as well as by the ridge-regression parameter 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 is not too large compared to . The graphical results provided in the course of the article were particularly obtained within a - to -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 is understood as the Euclidean norm for vectors and the operator norm for matrices, while the norm is the Frobenius norm for matrices. All vectors in the article are understood as column vectors.
System Model
From a neural network viewpoint, the neurons of the network are the virtual units operating the mapping ( being the -th row of ), for . The neural network then operates in two phases: a training phase where the regression matrix is learned based on a known input-output dataset pair and a testing phase where, for now fixed, the network operates on a new input dataset with corresponding unknown output .
where we defined . This follows from differentiating the mean square error along to obtain , so that which, along with , gives the result.
the resolvent of . The matrix naturally appears as a key quantity in the performance analysis of the neural network. Notably, the mean-square error on the training dataset is given by
Under the growth rate assumptions on taken below, it shall appear that the random variable concentrates around its mean, letting then appear as a central object in the asymptotic evaluation of .
where and is the same as used in (1) (and thus only depends on and ). One of the key questions in the analysis of such an elementary neural network lies in the determination of which minimizes (and is thus said to have good generalization performance). Notably, small values are known to reduce but to induce the popular overfitting issue which generally increases , while large values engender both large values for and .
From a mathematical standpoint though, the study of 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 . Nonetheless, the analysis of allows at least for heuristic approaches to become available, which we shall exploit to propose an asymptotic deterministic approximation for .
From a technical standpoint, we shall make the following set of assumptions on the mapping .
Under the notations of Assumption 1, we have in particular if and (the uniform distribution on $\varphi(t)=-1+2\frac{1}{\sqrt{2\pi}}\int_{t}^{\infty}e^{-x^{2}}dx\varphi\sqrt{2/\pi}$-Lipschitz map).
We further need the following regularity condition on the function .
The function is Lipschitz continuous with parameter .
This assumption holds for many of the activation functions traditionally considered in neural networks, such as sigmoid functions, the rectified linear unit , 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 and are kept constant. In addition,
Main Results
As a standard preliminary step in the asymptotic random matrix analysis of the expectation of the resolvent , a convergence of quadratic forms based on the row vectors of 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 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 , where .
for and 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 as
where is implicitly defined as the unique positive solution to . Then, for all , there exists such that
As a corollary of Theorem 1 along with a concentration argument on , we have the following result on the spectral measure of , which may be seen as a non-linear extension of (Silverstein and Bai, 1995) for which .
Let Assumptions 1–3 hold and, for the eigenvalues of , define . Then, for every bounded continuous function , with probability one
However, as shall be shown in Section 3.3, and contrary to empirical covariance matrix models of the type , explicitly depends on the distribution of (that is, beyond its first two moments). Thus, the aforementioned linearization of , and subsequently the deterministic equivalent for , are not universal with respect to the distribution of zero-mean unit variance . 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 lead to network failure to fulfill the regression task.
For convenience in the following, letting and be defined as in Theorem 1, we shall denote
Theorem 1 provides the central step in the evaluation of , for which not only but also 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 , be defined as in Theorem 1 and (3). Then, for all ,
Since and share the same orthogonal eigenvector basis, it appears that depends on the alignment between the right singular vectors of and the eigenvectors of , with weighting coefficients
where we denoted , , the eigenvalues of (which depend on through ). If , it is easily seen that as , in which case almost surely. However, in the more interesting case in practice where , as and 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 and its linear counterpart .
2 Testing performance
As previously mentioned, harnessing the asymptotic testing performance 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 , 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 . In particular, and .
With these notations in place, we are in position to state our claimed result.
Let Assumptions 1–2 hold and satisfy the same conditions as in Assumption 3. Then, for all ,
While not immediate at first sight, one can confirm (using notably the relation ) that, for , , 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 for various 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 and activation functions . The most popular activation functions in neural networks are sigmoid functions, such as , as well as the so-called rectified linear unit (ReLU) defined by 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, 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 for (i.e., for ) and for a set of functions not necessarily satisfying Assumption 2. Denoting , it is interesting to remark that, since , . Also, , a result reminiscent of (Rahimi and Recht, 2007).It is in particular not difficult to prove, based on our framework, that, as , a random neural network composed of neurons with activation function and neurons with activation function implements a Gaussian difference kernel. Finally, note that as , inducing that the extension by continuity of to propagates to their associated kernels.
where we defined .
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 —, for a polynomial of order two, and thus strongly depend on for . 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 are Bernoulli with zero mean and unit variance but succeed with possibly high performance if the are standard Gaussian (which is explained by the disappearance or not of the term and in (3.3) if ).
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 , with a neural network composed of units and standard Gaussian . We represent here each image as a -size vector; images of sevens and images of nines were extracted from the database and were evenly split in training and test images, respectively. The database images were jointly centered and scaled so to fall close to the setting of Assumption 3 on and (an admissible preprocessing intervention). The columns of the output values and were taken as unidimensional () with depending on the image class. Figure 1 displays the simulated (averaged over realizations of ) versus theoretical values of and for three choices of Lipschitz continuous functions , as a function of .
Note that a perfect match between theory and practice is observed, for both and , 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 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 (which is a marginal cost independent of ), can be computed for all through mere vector operations; similarly is obtained by the marginal cost of a basis change of and the matrix product , 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 to 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 .
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 , which acts as a deterministic kernel on the dataset . This is in fact a well-known result found e.g., in (Williams, 1998) where it is shown that, as 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 are proposed as a computationally efficient proxy to evaluate kernels .
As discussed previously, the formulas for and suggest that good performances are achieved if the dominant eigenvectors of show a good alignment to (and similarly for and ). This naturally drives us to finding a priori simple regression tasks where ill-choices of 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 and where and are such that , are bounded, and . Accordingly, and . It is proved in the aforementioned articles that, under these conditions, it is theoretically possible, in the large 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 almost surely for all while , almost surely, irrespective of the class of , 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 corresponding to , , or ) exhibit a quadratic term.
More surprisingly maybe, recalling now Equation (3.3) which considers non-necessarily Gaussian with moments of order , a more refined analysis shows that the aforementioned Gaussian mixture classification task will fail if and , so for instance for Bernoulli with parameter . The performance comparison of this scenario is shown in the top part of Figure 3 for and , , for and (that is, Bernoulli ). The choice of with 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 , drops below one (the amplitude of the ), thereby indicating that non-trivial classification is performed. This is not so for the Bernoulli case where 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), contains structural information about the data classes through the term which induces an information-plus-noise model for as long as , i.e., (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 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 in such a way that 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 observed for , that is, following a Student-t distribution with degree of freedom normalized to unit variance (in this case and ). 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 to accommodate with higher order moments, an observation which is confirmed in simulations when letting be even smaller).
3 Limiting cases
We have suggested that contains, in its dominant eigenmodes, all the usable information describing . In the Gaussian mixture example above, it was notably shown that 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 containing useful information about , it is intuitive to expect that both and become smaller as and become large. It is in fact easy to see that, if is invertible (which is likely to occur in most cases if ), 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 becomes large, the effect of on flattens out. Therefore, a smart choice of 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 reduces to zero while saturates to a non-zero limit which becomes increasingly irrespective of . Note additionally the interesting phenomenon occurring for where too small values of induce important performance losses, thereby suggesting a strong importance of proper choices of in this regime.
A phase transition therefore exists whereby assumes a finite positive value in the small limit if , or scales like otherwise.
If instead (which is the most likely outcome in practice), as , and thus
where and .
These results suggest that neural networks should be designed both in a way that reduces the rank of while maintaining a strong alignment between the dominant eigenvectors of and the output matrix .
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 , the random vector distributed as any of the ’s, the random matrix distributed as any of the ’s, and with the random matrix distributed as any of the ’s.
where are independent of and . As a corollary (see e.g., (Ledoux, 2005, Proposition 1.10)), for every ,
Notations: In all subsequent lemmas and proofs, the letters will be used interchangeably as positive constants independent of the key equation parameters (notably and below) and may be reused from line to line. Additionally, the variable will denote any small positive number; the variables may depend on .
We start by recalling the first part of the statement of Lemma 1 and subsequently providing its proof.
for and independent of all other parameters.
The layout of the proof is as follows: since the application is “quadratic” in and thus not Lipschitz (therefore not allowing for a natural transfer of the concentration of to ), we first prove that satisfies a concentration inequality, which provides a high probability bound on . Conditioning on this event, the map can then be shown to be Lipschitz (by isolating one of the 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 independent of all parameters.
Finally, using again the Lipschitz character of ,
which, with the remark , may be equivalently stated as
As a side (but important) remark, note that, since
and thus, since , we have
Thus, in particular, under the additional Assumption 3, with high probability, the operator norm of cannot exceed a rate .
The aforementioned control of arises from the bound which may be quite loose (by as much as a factor ). Intuitively, under the supplementary Assumption 3, if , then is “dominated” by the matrix , the operator norm of which is indeed of order and the bound is tight. If and , we however know that (Bai and Silverstein, 1998). One is tempted to believe that, more generally, if , then should remain of this order. And, if instead , the contribution of should merely engender a single large amplitude isolate singular value in the spectrum of and the other singular values remain of order . These intuitions are not captured by our concentration of measure approach.
Since 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 . Conditioning the random variable of interest in Lemma 2 with respect to and its complementary , for some , gives
so that, with the same remark as before, for ,
To avoid the condition , we use the fact that, probabilities being lower than one, it suffices to replace by with such that
The above inequality holds if we take for instance since then (using successively and ) and thus
Therefore, setting , we get for every
which, together with the inequality , gives
Indeed, if then , while if then . ∎
As a corollary of Lemma 2, we have the following control of the moments of .
with , , and independent of the other parameters. In particular, under the additional Assumption 3,
We use the fact that, for a nonnegative random variable , , so that
which, along with the boundedness of the integrals, concludes the proof. ∎
Beyond concentration results on functions of the vector , we also have the following convenient property for functions of the matrix .
for some . In particular, under the additional Assumption 3,
for some . Let’s consider in particular and remark that
We can apply Lemma 3 for , since we have
Lemma 3 also allows for an important application of Lemma 2 as follows.
for some independent of the other parameters.
Let . Reproducing the proof of Corollary 2, conditionally to for any arbitrary large enough , it appears that is Lipschitz with parameter of order . Along with (7) and Assumption 3, this thus ensures that
for some . We may then apply Lemma 1 on the bounded norm matrix 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 independent of the other parameters.
We apply Lemma 3 to the mapping . Denoting and , remark indeed that
As and are bounded and is also bounded by Assumption 3, this implies
for some . The function is thus Lipschitz with parameter independent of , 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 , in the “simultaneously large” regime. This preliminary step is classical in studying resolvents in random matrix theory as the direct comparison of to with the implicit may be cumbersome. To this end, let us thus define the intermediary deterministic matrix
with , where we recall that is a random matrix distributed as, say, .
First note that, since and, from (7) and Assumption 3, for all large , we find that for some constant . Thus, is uniformly bounded.
which, from Lemma 6, gives, for ,
Note now, from the independence of and , that the second right-hand side expectation is simply . 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 ,
where we used again Lemma 6 in reverse. Denoting , this can be compactly written
for some , so in particular, recalling that for some constant ,
As a consequence of all the above (and of the boundedness of ), we have that, for some ,
where . Of course, since we also have (from ), we have symmetrically
so that, with a similar reasoning as in the proof of Corollary 1,
where we additionally used 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 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 can be approximated by the matrix , which we recall is defined as
where is the unique positive solution to . The fact that 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 , , satisfies , and there exists such that , then has a unique fixed point (Yates, 1995, Th 2). It is easily shown that is such a map, so that exists and is unique.
to prove that . 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 ,
the limsup of which is bounded. We thus conclude that
Similarly, , which is known to be bounded, satisfies
which completes to prove that .
and we have thus proved that for some .
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 , to evaluate the more involved form , where is a symmetric matrix either equal to or of bounded norm (so in particular is bounded). To evaluate this quantity, first write
Of course, since is symmetric, we may write
which will reveal more practical to handle.
First note that, since and is such that is bounded, , 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 , observe that
which, reusing , is further decomposed as
(where in the previous to last line, we have merely reorganized the terms conveniently) and our interest is in handling . Let us first treat term . Since is bounded, by Lemma 4, concentrates around ; but, as is bounded, we also have . 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 , the operator norm of which is bounded as O(1). So finally,
We now move to term . Using the relation ,
and the symmetrical lower bound (equal to the opposite of the upper bound), where . For the same reasons as above, the first right-hand side term is bounded by . As for the second term, for , it is clearly bounded; for , using , can be expressed in terms of and for , all of which have been shown to be bounded (at most by ). We thus conclude that
Finally, term can be handled similarly as term and is shown to be of norm bounded by .
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 ,
with , and a similar reasoning is performed to control and . For bounded, is bounded as , and thus is of order . So in particular, taking of bounded norm, we find that
Take now . Then, from the relation in the order of symmetric matrices,
The first norm in the parenthesis is bounded by and it thus remains to control the second norm. To this end, similar to the control of , by writing for independent vectors with the same law as , and exploiting the exchangeability, we obtain after some calculus that can be expressed as the sum of terms of the form or for diagonal matrices of norm bounded as , while and are similar as and , only for replaced by . All these terms are bounded as and we finally obtain that is bounded and thus
With the additional control on and , 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 , exploiting the fact that , we have the simplification
We have already shown in (11) that and thus
which proves immediately Proposition 1 and Theorem 3.
In this section, we evaluate the terms provided in Table 1. The proof for the term corresponding to can be already be found in (Williams, 1998, Section 3.1) and is not recalled here. For the other functions , we follow a similar approach as in (Williams, 1998), as detailed next.
The evaluation of for requires to estimate
Assume that and and not linearly dependent. It is convenient to observe that this integral can be reduced to a two-dimensional integration by considering the basis defined (for instance) by
The case where and 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 (since on $\mathcal{I}>0ab$ not linearly dependent.
For and linearly dependent, we simply have for and for .
Since , we have
Hence, reusing the results above, we have here
Using the identity provides the expected result.
With the same notations as in the case , we have to evaluate
After a polar coordinate change of variable, this is
Here it suffices to note that so that
and to apply the result of the previous section, with either , , or . Since , we conclude that
Let us first consider . We have here to evaluate
For , it suffices to appropriately adapt the signs in the expression of (using the relation ) to obtain in the end
4 Polynomial σ(⋅)𝜎⋅\sigma(\cdot) and generic w𝑤w
where we recall the definition . Gathering all the terms for appropriate selections of 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 , is expected to be of the form , where , with with high probability. Besides, if 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 and , for some constant and .
This subsequently ensures that and would be of a similar form and with and 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 defined as
If follows the aforementioned claimed operator norm control, reproducing the steps of Corollary 3 leads to a similar concentration for , which we shall then admit. We are therefore left to evaluating and .
We start with the term , which we expand as
with , the operator norm of which is bounded by with high probability. Now, observe that, again with the assumption that with controlled , may be decomposed as
In the display above, the first right-hand side term is now of order . As for the second right-hand side term, note that is a vector of independent and identically distributed zero mean and variance entries; while note formally independent of , 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 .
where we used and the definition .
We then move on to of Equation (12), which can be developed as
In the term , reproducing the proof of Lemma 1 with the condition bounded, we obtain that concentrates around , which allows us to write
with and thus can be rewritten as
while for , following the same arguments as previously, we have
where .
Since , we are free to plug in the asymptotic equivalent of derived in Section 5.2.3, and we deduce
The term of the double sum over and () needs more efforts. To handle this term, we need to remove the dependence of both and in in sequence. We start with as follows:
where in the previous to last inequality we used the relation
For , we replace by and take expectation over
The idea to handle is to retrieve forms of the type for some satisfying with high probability. To this end, we use
and thus can be expanded as the sum of three terms that shall be studied in order:
where . First, is of order since is of bounded operator norm. Subsequently, can be rewritten as
The same arguments apply for but for
which completes to show that and thus
It remains to handle . Under the same claims as above, we have
where we introduced the notation . For , we replace by , and take the expectation over , as follows
with having the same law as , and , both expected to be of order . Using again the asymptotic equivalent of devised in Section 5.2.3, we then have
Following the same principle, we deduce for that
with , also believed to be of order . Recalling the fact that , we can thus conclude for that
Since is expected to be of bounded norm, using the concentration inequality of the quadratic form , we infer
We again replace by and take expectation over to obtain
with , which eventually brings the second term to vanish, and we thus get
For the term we apply again the concentration inequality to get
with high probability, where , the norm of which is of order . This entails
with high probability. Once more plugging the asymptotic equivalent of deduced in Section 5.2.3, we conclude for that
Combining the estimates of as well as and , we finally have the estimates for the test error defined in (12) as
Since by definition, , 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 ), 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 (here a Lipschitz function of a Gaussian vector) to transfer concentration to all vector (or matrix ) being Lipschitz functions of . This induces that Lipschitz functionals of (or ) further satisfy concentration inequalities and thus, if the Lipschitz parameter scales with , convergence results as . With this in mind, note that we could have generalized our input-output model 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 for and differentiable polynomially bounded ) can only be used on products involving the linear component , 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 which, in our present analysis, was shown to be bounded in the order of symmetric matrices by with high probability. Thus, if no matrix (such as ) pre-multiplies , since can grow as large as , cannot be shown to vanish. But such a bound does not account for the fact that would in general be unbounded because of the term in the display , where . Intuitively, the “mean” contribution of , being post-multiplied in by (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 to prove that vanishes (for , it is simple to show that ). In addition, Stein’s lemma-based methods only require the differentiability of , 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 . 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 ), 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 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 itself; we believe that 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 ) 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 into for a random variable different for each neuron. This has the effect of mitigating the negative impact of the mean , which is independent of the neuron index .
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 , .
where is the Hausdorff distance of a point to a set. In particular, for , and .