Neural Network Approximation

Ronald DeVore, Boris Hanin, Guergana Petrova

Introduction

Approximation using Neural Networks (NNs) is the method of choice for building numerical algorithms in Machine Learning (ML) and Artificial Intelligence (AI). It is now being looked at as a possible platform for computation in many other areas. Although NNs have been around for over 70 years, starting with the work of Hebb in the late 1940’s (?) and Rosenblatt in the 1950’s (?), it is only recently that their popularity has surged as they have achieved state-of-the-art performance in a striking variety of machine learning problems. Examples of these are computer vision (?), employed for instance in self-driving cars, natural language processing (?), used in Google Translate, or reinforcement learning, such as superhuman performance at Go (?, ?), to name a few.

Nevertheless, it is generally agreed upon that there is still a lack of solid mathematical analysis to explain the reasons behind these empirical successes. As a start, the understanding of the approximation properties of NNs is of vital importance since approximation is one of the main components of any algorithmic design. A rigorous analysis of what special properties NNs hold as a method of approximation could lead to both significant practical improvements (?, ?) and a priori performance guarantees for computational algorithms based on NNs.

At the heart of providing such a rigorous theory is understanding the benefits of using NNs as an approximation tool when compared with other more classical methods of approximation such as polynomials, wavelets, splines, and sparse approximation from bases, frames, and dictionaries. Indeed, most applications of NNs are built on some form of function approximation. This includes not only learning theory and statistical estimation, but also the new forays of NNs into other application domains such as numerical methods for solving partial differential equations (PDEs).

An often cited theoretical feature of neural networks is that they produce universal function approximants (?, ?) in the sense that, given any continuous target function ff and a target accuracy ϵ>0\epsilon>0, neural networks with enough judiciously chosen parameters produce an approximation to ff within an error of size ϵ\epsilon. This universal approximation capacity has been known since the 19801980’s. But surely, this cannot be the main reason why neural networks are so effective in practice. Indeed, all families of functions used in numerical approximation such as polynomials, splines, wavelets, etc., produce universal approximants. What we need to understand is in what way NNs are more effective than other methods as an approximation tool.

The purpose of the present article is to describe the approximation properties of NNs as we presently understand them, and to compare their performance with other methods of approximation. To accomplish such a comparative analysis, we introduce, starting in §5, the tools by which various methods of approximation are evaluated. These include approximation rates on model classes, nn–widths, metric entropy, and approximation classes. Since NN approximation is a form of nonlinear manifold approximation, we make this particular form of approximation the focal point of our exposition. The ensuing sections of the paper examine the specific approximation properties of NNs. After making some remarks that apply to general activation functions σ\sigma, we turn our attention to the performance of Rectified Linear Unit (ReLU) networks. These are the most heavily used in numerical settings and fortunately also the NNs most amenable to analysis.

Since the output of a ReLU network is a continuous piecewise linear function (CPwL), it is important to understand what the class of outputs of a ReLU network depending on nn parameters looks like in terms of their allowable partitions and the correlation between the linear pieces. This topic is addressed in §3. This structure increases in complexity with the depth of the network. It turns out that deeper NNs give a richer set of outputs than shallow networks. Therefore, much of our analysis centers on deep ReLU networks.

The key takeaways from this paper are the following. For a fixed value of nn, the outputs of ReLU networks depending on nn parameters form a rich parametric family of CPwL functions. This manifold exhibits certain space filling properties (in the Banach space where we measure performance error), which are both a boon and a bottleneck. On one hand, space filling provides the possibility to approximate with relatively few parameters larger classes of functions than the classes that are currently approximated by classical methods. On the other hand, this flexibility comes at the expense of both the stability of the algorithm by which one selects the right parameters and the a priori performance guarantees and uncertainty quantifications of performance when using NNs in numerical algorithms. This points to the need for a comprehensive study of the trade-offs between stability of numerical algorithms based on NNs and their numerical efficiency.

This exposition is far from providing a satisfactory theory for approximation by NNs, even when we restrict ourselves to ReLU networks. We highlight several fundamental questions that remain unanswered. Their solution would not only lead to a better understanding of NN approximation but would most likely guarantee better performance in numerical algorithms. These issues include:

matching upper and lower for the rate of approximation of standard model classes when using ReLU networks

how to precisely describe the types of function classes that benefit from NN approximation.

how to numerically impose stability in parameter selection;

how the imposition of stability limits the performance of the network;

What is a Neural Network?

This section begins by introducing feed-forward neural networks and their elementary properties. We begin with a general setting and then specialize to the case of fully connected networks. While the latter networks are generally not the architecture of choice in most targeted applications, their architecture provides the most convenient way to understand the trade-offs between approximation efficiency and the complexity of the network. They also allow for a clearer picture of the balance between width and depth in the assignment of parameters.

In its most general formulation, a feed-forward neural network N\mathcal{N} is associated with a directed acyclic graph (DAG),

called the architecture of N\mathcal{N}, determined by a finite set V{\cal V} of vertices and a finite set of directed edges E{\cal E}, in which every vertex v∈Vv\in{\cal V} must belong to at least one edge e∈Ee\in{\cal E}. The set V{\cal V} consists of three distinguished subsets. The first is the set I{\cal I} of input vertices. These vertices have no incoming edges and are placeholders for independent variables (i.e. network inputs). The second is the set O{\cal O} of output vertices. These vertices have no outgoing edges and will store, for given inputs, the corresponding value of the dependent variables (i.e. the network output). The third is the set of hidden vertices H=V\{I,O}{\cal H}={\cal V}\backslash\left\{{\cal I},{\cal O}\right\}. For a given input, hidden vertices store certain intermediate values used to compute the corresponding output. The vertices and edges also have the following adornments:

In going forward, we often refer to the vertices as nodes. The weights and biases are referred to as the trainable parameters of N{\cal N}. For a fixed network architecture, varying the values of these trainable parameters produces a family of output functions. The key to describing how these functions are constructed is that to each vertex v∈V∖Iv\in{\cal V}\setminus{\cal I} we associate a computational unit called a neuron. This unit takes as inputs the scalar outputs xv′x_{v^{\prime}} from vertices v′∈V∖Ov^{\prime}\in{\cal V}\setminus{\cal O} with an edge e=(v′,v)∈Ee=(v^{\prime},v)\in{\cal E} terminating at vv, and outputs the scalar

The word neuron comes from the fact that (1) can be viewed as a simple computational model for a single biological neuron. A neuron associated to a vertex v∈V∖Iv\in{\cal V}\setminus{\cal I} observes signals xv′x_{v^{\prime}} computed by upstream neurons associated to v′v^{\prime}, takes a superposition of these signals, mediated by synaptic weights wew_{e}, e=(v′,v)e=(v^{\prime},v), and outputs xvx_{v} which is then seen by the downstream neurons. For all neurons associated to vertices v∈Ov\in{\cal O}, the activation function σv\sigma_{v} is the identity. The neuron associated to the ii-th input vertex v∈Iv\in{\cal I}, i=1,…,di=1,\ldots,d, where d:=∣I∣d:=|{\cal I}|, observes a scalar incoming (i.e. externally provided) signal xix_{i} and outputs xix_{i}, which is then seen by the downstream neurons.

The preceding is a very general definition of neural networks and encompasses virtually all network architectures used in practice. In this article, however, we restrict our study to rather special examples of such networks, the so-called fully connected networks. The architecture of such a network is given by a directed acyclic graph whose vertices are organized into layers.

As is customary, we specify that there is a single activation function σ\sigma that is used at each hidden vertex v∈Hv\in{\cal H}, i.e., σv=σ\sigma_{v}=\sigma for all v∈Hv\in{\cal H}. Recall that we always take the activation σv\sigma_{v} at the output vertices v∈Ov\in{\cal O} to be the identity. In this way, each coordinate of SN(x)S_{{\cal N}}(x) is a linear combination of the xvx_{v}’s at layer LL plus a bias term, which is a constant.

Thus, for a fully connected network N{\cal N}, the output function SNS_{\cal N} can be succinctly described by weight matrices and bias vectors

We will almost always consider only fully connected feed-forward NNs whose hidden layer widths are all the same, namely, n1=⋯=nL=Wn_{1}=\dots=n_{L}=W. Note that we can embed any fully connected feed-forward NN into a network with constant width W:=max⁡j=1,…,LnjW:=\max_{j=1,\ldots,L}n_{j} by inserting (W−nj)(W-n_{j}) additional zero bias vertices to layer jj and adding new edges with weights set to between these vertices and those in the next layer if these vertices are in the first layer, we also add new edges with weights set to between them and the input vertices). We use this fact frequently in what follows, sometimes without mentioning it.

We refer to WW as the width of the network and to LL as its depth. In such networks, each vertex vv from a hidden layer can be associated with a pair of indices (i,j)(i,j), where jj is the layer index and ii is the row index of the location of vv. We commonly refer to all vertices from a fixed row as a channel, and those from a fixed column as a layer. It is useful to introduce for every vertex vv from the hidden layers the function zv:=zi,jz_{v}:=z_{i,j} which records how the value at this neuron depends on the original input x=(x1,…,xd)x=(x_{1},\dots,x_{d}) before the activation σ\sigma is applied. It follows that,

which is the value of the ii-th coordinate of the vector X(j)X^{(j)} defined in (4).

For a fully connected feed-forward network N{\cal N} with width WW, depth LL, activation function σ\sigma, input dimension dd, and output dimension d′d^{\prime}, we define the set

Notice that ΥW,L\Upsilon^{W,L} is closed under addition of weights and biases in the output layer. This follows immediately from (3). However, it is not closed under addition of functions because we can find two outputs SN1,SN2S_{{\cal N}_{1}},S_{{\cal N}_{2}} from ΥW,L\Upsilon^{W,L} with SN1+SN2∉ΥW,LS_{{\cal N}_{1}}+S_{{\cal N}_{2}}\not\in\Upsilon^{W,L}. This will become apparent even in our discussion of one layer ReLU networks, see §3. Therefore ΥW,L\Upsilon^{W,L} is not a linear space. Each function SN∈ΥW,LS_{\cal N}\in\Upsilon^{W,L} is determined by

parameters consisting of the entries of its weight matrices W(1),…,W(L+1)W^{(1)},\ldots,W^{(L+1)} and bias vectors b(1),…,b(L+1).b^{(1)},\ldots,b^{(L+1)}. We note in passing that it is possible that distinct choices of trainable parameters end up describing the same outputs.

Our main focus in this paper is to understand the approximation power of NNs and thus we work under the assumption that we have full access to the target function ff. However, in the last two sections, we do make forays into the more realistic (numerical) settings where we are only provided (partial) information about ff in terms of data observations, or we are only allowed to query ff to gain information. This separation between the approximation setting and the numerical setting is important since it may be that we could approximate ff well if we had unlimited access to ff, but in reality we are limited by the information provided to us.

Fully connected feed-forward NNs are an important approximation tool that is amenable to theoretical analysis. In practice, the most common choice of activation function σ\sigma is the so-called rectified linear unit

This will constitute the main example of activation function studied in this article.

3 Fundamental Operations with Neural Networks

In this section, we discuss some fundamental operations that one can implement with NNs. Recall that ΥW,L=ΥW,L(σ;d,d′)\Upsilon^{W,L}=\Upsilon^{W,L}(\sigma;d,d^{\prime}) is the set of functions that are outputs of a NN with the activation function σ\sigma, input dimension dd, output dimension d′d^{\prime}, and LL hidden layers each of fixed width WW.

Let us begin by pointing out that deep neural networks naturally allow for two fundamental operations – parallelization and concatenation – which we will often use. Parallelization: If the NNs Nj{\cal N}_{j} have width WjW_{j}, depth LL, input dimension dd, output dimension d′d^{\prime}, and an activation function σj\sigma_{j}, j=1,…,mj=1,\dots,m, then the parallelization of these networks is a new network PAR(N1,…,Nm){\rm PAR}({\cal N}_{1},\ldots,{\cal N}_{m}) with width W=W1+…+WmW=W_{1}+\ldots+W_{m}, depth LL, input dimension dd and output dimension d′d^{\prime}. Its graph is obtained by placing the hidden layers of Nj{\cal N}_{j} on the top of each other. The parallelized network can output any linear combination S=∑j=1mαjSjS=\sum_{j=1}^{m}\alpha_{j}S_{j}, where Sj∈ΥWj,L(σj;d,d′)S_{j}\in\Upsilon^{W_{j},L}(\sigma_{j};d,d^{\prime}), j=1,…,mj=1,\dots,m.

As described above, the network PAR(SN1,…,SNm){\rm PAR}(S_{{\cal N}_{1}},\ldots,S_{{\cal N}_{m}}) does not have full connectivity since the nodes of Nj{\cal N}_{j} are not connected to the nodes of Ni{\cal N}_{i}, i≠ji\neq j. However, we can view the resulting network as a fully connected network by completing it, that is, by adding the missing edges and assigning to them zero weights.

where the composition is performed m−1m-1 times. Concatenation: If the NNs Nj{\cal N}_{j} have width W0W_{0}, depth LjL_{j}, input dimension djd_{j}, output dimension dj+1d_{j+1}, and activation functions σj\sigma_{j}, j=1,…,mj=1,\dots,m, then the concatenation of these networks is a network CONC(N1,…,Nm){\rm CONC}({\cal N}_{1},\ldots,{\cal N}_{m}) with width W0W_{0}, depth L=∑j=1mLjL=\sum_{j=1}^{m}L_{j}, input dimension d1d_{1} and output dimension dm+1d_{m+1}. Its graph is obtained by placing the hidden layers of these networks side by side with full connectivity between the hidden layers of Nj{\cal N}_{j} and Nj+1{\cal N}_{j+1}. The concatenated NN can output any composition S=Sm∘Sm−1∘⋯∘S1S=S_{m}\circ S_{m-1}\circ\cdots\circ S_{1}, where the functions Sj∈ΥW0,Lj(σj;dj,dj+1)S_{j}\in\Upsilon^{W_{0},L_{j}}(\sigma_{j};d_{j},d_{j+1}), j=1,…,mj=1,\ldots,m. It does this by assigning weights and biases, associated to edges connecting the last hidden layer of an Nj{\cal N}_{j} to a node of the first hidden layer of the neighbor Nj+1{\cal N}_{j+1}, using the output weights and biases of Nj{\cal N}_{j} and input weights and biases of Nj+1{\cal N}_{j+1}.

Parallelization and concatenation of neural networks allow us to perform the following operations between their outputs. Addition by increasing width: It follows from Parallelization that for any L≥1L\geq 1 and Sj∈ΥWj,L(σ;d,d′)S_{j}\in\Upsilon^{W_{j},L}(\sigma;d,d^{\prime}), j=1,…,mj=1,\dots,m, the linear combination

Composition: It follows from Concatenation that for any W≥1W\geq 1 and S∈ΥW,L1(σ;m,d′)S\in\Upsilon^{W,L_{1}}(\sigma;m,d^{\prime}), T∈ΥW,L2(σ;d,m)T\in\Upsilon^{W,L_{2}}(\sigma;d,m), the composition

In particular, it follows from Parallelization and Concatenation that given the outputs Tj∈ΥWj,L1(σ;d,1)T_{j}\in\Upsilon^{W_{j},L_{1}}(\sigma;d,1), j=1,…,mj=1,\ldots,m, and S∈ΥW,L2(σ;m,d′)S\in\Upsilon^{W,L_{2}}(\sigma;m,d^{\prime}), with W=∑j=1mWjW=\sum_{j=1}^{m}W_{j}, then the function

4 One Layer Neural Networks

The function SN∈ΥW,1(σ;d,1)S_{\cal N}\in\Upsilon^{W,1}(\sigma;d,1) produced by a single hidden layer, fully connected feed-forward neural network N\mathcal{N} with activation function σ\sigma, dd inputs and one output has the representation

where WW is the width of the first (and only) hidden layer and b0b_{0} is the bias of the output node. The above can equivalently be written as

where for the current discussion the distance is measured in the uniform norm ∥f∥C(Ω):=sup⁡x∈Ω∣f(x)∣\|f\|_{C(\Omega)}:=\sup_{x\in\Omega}|f(x)|. This question is discussed in detail in (?), see also (?), (?). Here we only point out some key results.

is not identically zero, then the density condition (12) holds. This condition can be used to prove the following examples of activation functions for which (12) holds.

For each such σ\sigma the density statement (12) holds, see (?) for one of the first proofs in this case.

ReLU Networks

In this section, we summarize what is known about the outputs of NNs with ReLU activation (ReLU networks). We begin by making general remarks that hold for any ReLU network and then turn to special cases, especially those that form our main interest of study in this paper.

Perhaps the most important structural property of ReLU networks is that any output of such a network is a continuous piecewise linear function. To describe this precisely, we start with the following definitions.

Each such convex polytope is the intersection of a finite number of closed half spaces. We refer to the polytopes PjP_{j} of such a partition as cells.

We then say that SS is subordinate to the polytope partition P.{\cal P}.

Let N{\cal N} be a ReLU network with dd inputs, one output node, and mm hidden neurons. Then, the output SNS_{\cal N} of N{\cal N} is a CPwL function subordinate to a partition PN{\cal P}_{\cal N} with at most 3m3^{m} cells, i.e., #PN≤3m\#{\cal P}_{\cal N}\leq 3^{m}.

Proof: Let us denote by z1(x),…,zm(x)z_{1}(x),\ldots,z_{m}(x) the pre-activations of the network’s neurons, that is the values stored at the neurons for input xx before ReLU is applied. For every activation pattern

Our purpose in the remainder of this section is to explore the properties of both the polytope partitions created by ReLU networks and the complexity of the CPwL functions that they output. We start in §3.1 by studying in detail ReLU networks with input and output dimension 11, postponing a discussion of higher input dimensions to §3.2.

For the set ΥW,1:=ΥW,1(ReLU;1,1)\Upsilon^{W,1}:=\Upsilon^{W,1}({\rm ReLU};1,1), we have the simple inclusion, see (?),

HpH_{\bf p} is a CPwL function that takes the value one at p2p_{2}, zero at p1p_{1} and p3p_{3}, is linear on [p1,p2][p_{1},p_{2}] and [p2,p3][p_{2},p_{3}], and vanishes outside of [p1,p3][p_{1},p_{3}]. Note that since Hp≡0H_{\bf p}\equiv 0 outside [p1,p3][p_{1},p_{3}], we have

and hence Hp∈Υ3,1(ReLU;1,1)H_{\bf p}\in\Upsilon^{3,1}({\rm ReLU};1,1). In particular, the hat function HH, defined as H:=H(0,1/2,1)H:=H_{(0,1/2,1)} and viewed as a function on $$ has the representation

Thus, H∈Υ2,1(ReLU;1,1)H\in\Upsilon^{2,1}({\rm ReLU};1,1) when considered only on $$.

1.2 Deep Univariate ReLU Networks

When L=1L=1, any selection of weights and biases produces as output a CPwL function SS with at most WW breakpoints. Indeed, SS can be expressed as S=b0+∑j=1Wajηj(t)S=b_{0}+\sum_{j=1}^{W}a_{j}\eta_{j}(t), where the functions ηj(t)=(±t+bj)+\eta_{j}(t)=(\pm t+b_{j})_{+}. Obviously the bound WW cannot be improved. Although ΥW,1\Upsilon^{W,1} does not contain all of ΣW+1,1\Sigma_{W+1,1}, it does contain all of ΣW,1\Sigma_{W,1}, see (14).

When L>1L>1, the situation gets much more complicated. Even though there is no precise characterization of the set of outputs, we can provide some important insight. When LL grows, two important things happen:

the number breakpoints of functions from ΥW,L\Upsilon^{W,L} can be exponential in LL;

not every CPwL function with this large number of breakpoints is in ΥW,L\Upsilon^{W,L}, in fact, far from it.

There is a set Λ\Lambda, #(Λ)≤m(L)\#(\Lambda)\leq m(L) such that each of the SkS_{k} have their breakpoints in Λ\Lambda. Fix kk and consider the function [Sk]+[S_{k}]_{+}. It has two types of breakpoints. One are those it inherited from Λ\Lambda and the second is the set Λk′\Lambda_{k}^{\prime} of new breakpoints that arose after the application of ReLU. We have #(Λk′)≤#(Λ)+1≤m(L)+1\#(\Lambda_{k}^{\prime})\leq\#(\Lambda)+1\leq m(L)+1, k=1,…,Wk=1,\dots,W. Hence, SS has at most m(L)+W(m(L)+1)m(L)+W(m(L)+1) breakpoints.It follows that

This recursion with the starting value m(1)=Wm(1)=W gives the bound

This bound can be improved somewhat at the expense of a more involved argument.

2 Multivariate ReLU Networks

We now turn to studying the properties of ReLU networks with input dimension d>1d>1, starting with those networks that have one hidden layer. Deeper multivariate ReLU networks are discussed in §3.2.2.

A ReLU network N\mathcal{N} with input dimension d>1d>1, output dimension 1,1, and one hidden layer of width WW outputs a function of the form

and the collection H:={H1,…,HW}{\cal H}:=\left\{H_{1},\ldots,H_{W}\right\}, associated to the network N{\cal N}. This collection is an example of a hyperplane arrangement, a classical subject in combinatorics (?).

In fact, Zaslavsky’s theorem shows that away from a co-dimension 11 set of weights and biases (i.e. when the hyperplanes are in general position), this upper bound is attained.

where LL is an affine function. Since LL and ηj\eta_{j} are linearly independent on BjB_{j}, this implies aj=0a_{j}=0. Hence, all aja_{j} are zero and SS is a constant. Since SS was assumed to have compact support, this constant is zero.

However, when d>1d>1, Zaslavsky’s theorem shows that the number of cells in P{\cal P} can grow as fast as CWdCW^{d} when W≥dW\geq d. Hence, in general, the set of all CPwL functions subordinate to P{\cal P} is a linear space with dimension much larger than 2W+12W+1.

if and only if the following condition holds:

2.2 Deep Multivariate ReLU Networks

which have a nonempty interior. We continue to write zj(x)z_{j}(x) for the CPwL function computed by the jthj^{th} neuron in N\mathcal{N} before ReLU is applied, and we have assumed for simplicity that for every neuron zjz_{j} the sets

have co-dimension at least 11. It is important to note that the HjH_{j}’s are no longer hyperplanes since the functions x↦zj(x)x\mapsto z_{j}(x) are not affine. Instead, HjH_{j} is the zero level set of zjz_{j} and, following the language in (?), we refer to the HjH_{j} as bent hyperplanes and

as a bent hyperplane arrangement. We can now describe the cells in the partition P{\cal P},

To understand this setting more clearly, let us consider a neuron zz in the second hidden layer of N\mathcal{N}. Note that the function x↦z(x)x\mapsto z(x) is the output of an element of ΥW,1\Upsilon^{W,1}. Hence, it is CPwL subordinate to the partition defined by the hyperplane arrangement

created by the neurons z1,…,zWz_{1},\ldots,z_{W} in the first hidden layer of N\mathcal{N}. On each cell C{\cal C} of the arrangement H(1){\cal H}^{(1)}, the function x↦z(x)x\mapsto z(x) is affine. Let HzH_{z} denote the bent hyperplane associated with this neuron zz from the second layer. We see that Hz∩CH_{z}\cap{\cal C} is given by the (possibly empty) intersection of a single hyperplane with C{\cal C}. However, because x↦z(x)x\mapsto z(x) is a different affine function on different cells, its zero set HzH_{z} may “bend” at the boundary between two cells and is not given globally by a single hyperplane. More is true: while in every cell HzH_{z} coincides with a single hyperplane, globally, it may have several connected components.

Just as in the case of univariate ReLU networks considered in §3.1, the number of cells defined by the bent hyperplane arrangement HH in a deep ReLU network with any input dimension can grow exponentially with depth. In fact, see (?, Theorem 5), there are ReLU networks of depth LL and width W≥dW\geq d giving rise to partitions with at least

cells. Similarly to the univariate case, the exponential growth in the number of pieces of the CPwL functions produced by deep networks is a consequence of composition.

3 Properties of deep ReLU networks

In a special network, we reserve the top dd channels to simply push forward the input values of xx. Namely, channel i∈{1,…,d}i\in\{1,\dots,d\} has

where x=(x1,…,xd)x=(x_{1},\dots,x_{d}) is the initial input. This allows us to use xx as an input to the computation performed at any later layer of the network. We refer to such channels as source channels (SC).

In a special network, we also designate some channels, called collation channels (CC), to simply aggregate the value of certain intermediate computations. In a collation channel the ReLU activation may or may not be applied. The key point here is that nodes from both collation and source channels may be ReLU free. Therefore, such networks are not true ReLU networks.

We denote the set of functions SS which are the outputs of a special network of width WW and depth LL by Υ‾‾W,L\overline{\underline{\Upsilon}}^{W,L}. A useful observation made in (?) is that the functions that are outputs of a special network, when restricted to a bounded domain, are in ΥW,L\Upsilon^{W,L}, that is,

This is proved using the following observations.

Given any configuration of weights and biases in any collation channel of a special network and any fixed compact set KK of inputs, we may choose a sufficiently large value bi,jb_{i,j} associated to the (i,j)th(i,j)^{th} node so that zi,j(x)+bi,j>0z_{i,j}(x)+b_{i,j}>0 for all x∈Kx\in K. Then, we construct the true ReLU network by assigning to this node the function ηi,j′\eta^{\prime}_{i,j}, given by ηi,j′(x)=[zi,j(x)+bi,j]+=zi,j(x)+bi,j\eta^{\prime}_{i,j}(x)=[z_{i,j}(x)+b_{i,j}]_{+}=z_{i,j}(x)+b_{i,j}. The effect of bi,jb_{i,j} on any subsequent computation is then eliminated by adding an extra bias (to the bias present from the special network) for any neuron from the next layer to which the output ηi,j′(x)\eta^{\prime}_{i,j}(x) is passed to. We perform this procedure to every ReLU free node from the collation channels.

Similar treatment as above is done for all nodes in all source channels.

The ReLU network that has been constructed has the same output as that of the special network we started with.

This specific trick works only when KK is compact. Alternatively, at the expense of increasing the width, we can create a true ReLU network of width W=W0+2d+2kW=W_{0}+2d+2k, where W0+d+kW_{0}+d+k is the width of the special network with dd source and kk collation channels by using the identity t=t+−(−t)+t=t_{+}-(-t)_{+}. This approach works for arbitrary inputs but at the expense of increasing the width of the network.

In what follows, we use extensively special networks to derive some important properties of deep networks since they facilitate many constructions.

3.2 Some important properties of deep ReLU networks

As noted in Observation from §3.2 in the case of one layer networks, the vector ww consisting of all incoming weights into any hidden node of a ReLU network, if nonzero, can be taken to be of Euclidean norm ∥w∥2=1\|w\|_{2}=1. Indeed, this follows from the equality

and the fact that the factor ∥w∥2\|w\|_{2} can be absorbed by the outgoing weights.

Next, we return to the Addition Property. Earlier we have shown that we can add functions in ΥW,L(σ;d,d′)\Upsilon^{W,L}(\sigma;d,d^{\prime}) by increasing the width of the network using the method of parallelization. Here, we want to observe that addition can also be performed by increasing depth and not significantly enlarging width. Here is a statement to that effect.

We discuss the case of minimum only, since the case of maximum is almost the same. We start with proving (25). In our construction, we will use the fact that

For general mm, we let k:=⌈log⁡2m⌉k:=\lceil\log_{2}m\rceil and define x^j=xj\hat{x}_{j}=x_{j}, 1≤j≤m1\leq j\leq m and x^j:=xm\hat{x}_{j}:=x_{m}, m<j≤2km<j\leq 2^{k}. Applying the above to this new sequence gives the result (25). To show (24), we feed zj(x)z_{j}(x) into the first hidden layer of Nk{\cal N}_{k} by assigning appropriate input weights and node biases.

At the end, if we want to output the ReLU of min/max, we just add another hidden layer to perform the ReLU.

Another way to compute the above min/max is via increasing the depth and keeping the width relatively small by utilizing a recursive formula, first used in (?). Minimization/Maximization 2 (MM2): Let

We discuss the case of maximum only (the case of minimum is treated likewise). Let μ1(x):=z1(x)\mu_{1}(x):=z_{1}(x) and μk(x):=max⁡{z1(x),…,zk(x)}\mu_{k}(x):=\max\{z_{1}(x),\dots,z_{k}(x)\}, k≥2k\geq 2. We use the recursion formula

and discuss the case R=d{\cal R}=^{d}. For the case of a general rectangle R{\cal R} one needs to add appropriate biases. Our construction is the following:

the first dd channels of the network push forward the variables x1,…,xdx_{1},\ldots,x_{d}. Their nodes can be viewed as ReLU nodes since t+=tt_{+}=t for t≥0t\geq 0.

the (d+1)st(d+1)^{st} channel computes in its first node (z1(x)−z2(x))+(z_{1}(x)-z_{2}(x))_{+}. Note that if we wanted to, we could stop and output μ2(x)\mu_{2}(x) at this stage. The jthj^{th} node of this channel, j=2,…,m−2j=2,\ldots,m-2, computes (μj(x)−zj+1(x))+(\mu_{j}(x)-z_{j+1}(x))_{+}, which is then given as an input to the (j+1)st(j+1)^{st} node. The final layer L=m−1L=m-1 will hold μm−1(x)\mu_{m-1}(x) and hence can output μm(x)\mu_{m}(x).

To show the last statement, we add a hidden layer after the last hidden layer of the NN from the construction above to perform the ReLU of the max/min. Of course, we could augment the resulting network by adding nodes and connections so that we have a fully connected feed-forward NN.

More general statements hold when instead of computing the min/max of affine functions we have to find the min/max of outputs of neural networks.

where W:=max⁡{W1+W2+⋯+Wm,3⋅2⌈log⁡2m⌉−1}W:=\max\{W_{1}+W_{2}+\cdots+W_{m},3\cdot 2^{\lceil\log_{2}m\rceil-1}\}, L=L0+⌈log⁡2m⌉L=L_{0}+\lceil\log_{2}m\rceil. If Wj≥3W_{j}\geq 3, j=1,…,mj=1,\ldots,m, we have W=W1+W2+⋯+WmW=W_{1}+W_{2}+\cdots+W_{m}. The same statement holds for max⁡{S1,…,Sm}\max\{S_{1},\dots,S_{m}\}. We use Parallelization to construct the first L0L_{0} hidden layers of the network N{\cal N} that outputs SS Then, from the L0L_{0}-th layer we can output any of the SjS_{j}, j=1,…,mj=1,\dots,m. We concatenate this with the network in MM1 which has ⌈log⁡2m⌉\lceil\log_{2}m\rceil hidden layers to complete the construction of N{\cal N}. Clearly, the resulting network has varying width, where the first L0L_{0} layers are with width W1+W2+⋯+WmW_{1}+W_{2}+\cdots+W_{m}, while the last ⌈log⁡2m⌉\lceil\log_{2}m\rceil layers have width 3⋅2⌈log⁡2m⌉−13\cdot 2^{\lceil\log_{2}m\rceil-1}. We augment this network by adding extra nodes and edges. At the end, our network has width W=max⁡{W1+W2+⋯+Wm,3⋅2⌈log⁡2m⌉−1}.W=\max\{W_{1}+W_{2}+\cdots+W_{m},3\cdot 2^{\lceil\log_{2}m\rceil-1}\}. In the case of Wj≥3W_{j}\geq 3, W1+…+Wm≥3⋅2⌈log⁡2m⌉−1W_{1}+\ldots+W_{m}\geq 3\cdot 2^{\lceil\log_{2}m\rceil-1}, which gives that W=W1+…+WmW=W_{1}+\ldots+W_{m}.

In order to construct a neural network N{\cal N} which shows that S∈ΥW,LS\in\Upsilon^{W,L}, we utilize Concatenation in place of Parallelization and we use special networks. Let Nj{\cal N}_{j} be a network of width W0W_{0} and depth LjL_{j} which outputs SjS_{j}, j=1,…,mj=1,\dots,m. To each of the networks Nj{\cal N}_{j}, we add dd source channels to push forward the original inputs x1,…,xdx_{1},\dots,x_{d} and one collation channel that we will use to update computations towards outputting SS. Let us denote these special networks by Nj′{\cal N}_{j}^{\prime}. We now explain how to construct N{\cal N}. The first L1L_{1} hidden layers of N{\cal N} consist of those of N1′{\cal N}_{1}^{\prime}. The collation channel simply pushes forward zero for these layers. We concatenate N1′{\cal N}_{1}^{\prime} with N2′{\cal N}_{2}^{\prime} by placing S1S_{1} in the collation channel of N2′{\cal N}_{2}^{\prime} and then pushing it forward, and by placing the outputs of the source channels of N1′{\cal N}_{1}^{\prime}, multiplied by appropriate weights (those that enter the first layer of N2{\cal N}_{2}), into the first hidden layer of N2′{\cal N}_{2}^{\prime}. If m=2m=2, we can complete the construction by placing a last hidden layer which takes S1S_{1} from the collation channel and S2S_{2} as an output from N2′{\cal N}_{2}^{\prime} and computes (S1−S2)+(S_{1}-S_{2})_{+}, (S2)+(S_{2})_{+}, and (−S2)+(-S_{2})_{+}. We augment the resulting network with additional nodes, if necessary, so that we have a special network with width WW. This network outputs SS, has depth L=L1+L2+1L=L_{1}+L_{2}+1, and width WW. If m>2m>2, we continue by concatenating with N3′{\cal N}_{3}^{\prime}. The collation channel is now occupied by T2:=min⁡{S1,S2}T_{2}:=\min\{S_{1},S_{2}\}. If m=3m=3, then we complete as before by adding a layer to compute (T2−S3)+(T_{2}-S_{3})_{+}, (S3)+(S_{3})_{+}, and (−S3)+(-S_{3})_{+}. Continuing this way we obtain the desired network.

3.3 General CPwL functions

This is proved in (?) by using the fact that any CPwL function SS can be written as a linear combination of piecewise linear convex functions, each with at at most (d+1)(d+1) affine pieces, that is,

with sj:=#(Sj)≤d+1,s_{j}:=\#(S_{j})\leq d+1, for some affine functions z1,…,zkz_{1},\ldots,z_{k}.

For the proof, we can assume that sj=d+1s_{j}=d+1 for all jj by artificially writing an index already in SjS_{j} several times, so that we end up with networks with the same depth L=⌈log⁡2(d+1)⌉L=\lceil\log_{2}(d+1)\rceil. Using Parallelization, we then stack these networks to produce S∈ΥW′,L(ReLU;d,1)S\in\Upsilon^{W^{\prime},L}({\rm ReLU};d,1) with L=⌈log⁡2(d+1)⌉L=\lceil\log_{2}(d+1)\rceil and W′=3p2⌈log⁡2(d+1)⌉−1W^{\prime}=3p2^{\lceil\log_{2}(d+1)\rceil-1}.

A result along these lines was proven in (?), where it was shown that the output of any ReLU network can be generated by a sufficiently deep ReLU network with fixed width W=d+3W=d+3.

3.4 Finite element spaces

Rather than address this question in its full generality, we consider only a very special setting that will be sufficient for our discussion of NN approximation given in later sections of this paper. The reader can consult (?) and (?) for a more far reaching exposition of the relation between FEM and NNs.

For our special example, we begin with Ω=d\Omega=^{d}, and given n≥1n\geq 1, we consider the uniform partition Qn{\cal Q}_{n} of Ω\Omega into ndn^{d} cubes with sidelength 1/n1/n. We denote by VnV_{n} the set of vertices of the cubes in Qn{\cal Q}_{n}. There are (n+1)d(n+1)^{d} such vertices. Each cube Q∈QnQ\in{\cal Q}_{n} can in turn be partitioned into d!d! simplices using the so-called Kuhn triangulation with northwest diagonal. This gives a partition K{\cal K} of Ω\Omega into ndd!n^{d}d! simplices. Let X(K)X({\cal K}) be the space of all CPwL functions defined on Ω\Omega and subordinate to K{\cal K}. This is a linear space of dimension N=(n+1)dN=(n+1)^{d}. A basis for X(K)X({\cal K}) is given by the nodal functions {ϕv, v∈Vn}\{\phi_{v},\,v\in V_{n}\}, which are the CPwL functions defined on Ω\Omega, subordinate to K{\cal K}, and satisfy

where δ\delta is the usual Kronecker delta function. Each S∈X(K)S\in X({\cal K}) has the representation

FEM spaces: Let X(K)X({\cal K}) be the finite element space in dd dimensions described above, and let d∗:=(d+1)!d^{*}:=(d+1)!. Then the following holds:

To prove these statements, we first observe that each nodal basis function ϕv\phi_{v} can be expressed as

where DvD_{v} is the set of simplices in K{\cal K} that have vv as one of their vertices. There are (d+1)!(d+1)! such simplices when vv is an internal vertex and less than that for vertices on the boundary of Ω\Omega. The function zΔz_{\Delta} is the linear function which is one at vv and vanishes on the facet of Δ\Delta opposite to vv. If ∣Dν∣<(d+1)!|D_{\nu}|<(d+1)!, we add artificially some of the functions zΔz_{\Delta} that are already in DνD_{\nu} so that we end up with (d+1)!(d+1)! not necessarily different functions, since later we will do parallelization that requires the depth of certain networks to be the same.

Several remarks are in order concerning this result. First, note that the number of parameters used in both NNs is comparable (up to a factor depending on dd ) to the dimension (n+1)d(n+1)^{d} of X(K)X({\cal K}). The most important point to stress is that when using the set ΥW,L\Upsilon^{W,L} in place of a piecewise linear FEM space, we are using a much larger nonlinear family as an approximation tool. Indeed, the set ΥW,L\Upsilon^{W,L} not only contains the FEM space X(K)X({\cal K}) based on the initial choice of partitioning, but it also contains an infinite number of such FEM spaces corresponding to an infinite number of possible ways to partition Ω\Omega. In fact, the NN approach is even more than a simple generalization of the Adaptive Finite Element Method (AFEM), where one is allowed to adaptively choose partitions (from a restricted family of partitions). It will be shown in §8.7 that these NNs provide a provably better approximation rate to various Sobolev and Besov classes than that provided by the FEM spaces. While this seems like a tremendous advantage for NNs over FEMs, one must address (in the specific problem setting) how one (near) optimally chooses the parameters of these NNs.

In the case when FEMs are used to numerically solve linear elliptic PDEs, one can employ the Galerkin method which finds a (near) best approximation to the solution to the PDE by projecting onto X(K)X({\cal K}). This is well understood and quantified in both theory and practice through theorems that bound error and establish stable numerical implementation.

When we eventually discuss quantitative theorems for NN approximation, we shall see that the known results point to a tremendous potential increase in approximation efficiency (error versus number of parameters needed) when using NNs for the numerical solution of elliptic problems. Whether this advantage can be maintained in concrete stable numerical implementation is less clear.

4 Width versus depth

An underlying issue when choosing a NN architecture to be used in a numerical setting is whether to increase the width or the depth of the NN when one is willing to allocate more parameters to improve accuracy. Suppose, we fix a bound nn on the number of parameters to be used and ask which of the sets ΥW,L\Upsilon^{W,L} depending on at most nn parameters should we employ in designing a numerical algorithm. All other issues being the same, the general consensus is that in practice deeper networks are preferable. We make some comments to explain this preference from the point of view of the enhanced approximation capacities of deeper networks.

First, we have shown that addition of the output functions of a NN can be implemented by either increasing width (parallelization) or depth (concatenation) with a controlled increase in the number of parameters. However, certain operations like composition and forming minimums can only be implemented by increasing depth. So, for example, if we fix a width W=W0W=W_{0} sufficiently large to accommodate dd source channels and a couple of collation channels, then we can seemingly implement as outputs from ΥW0,L\Upsilon^{W_{0},L} all functions that occur as outputs of shallower networks with a comparable number of parameters. The only rigorous statement given to this effect was for ReLU networks with d=1d=1. In this case, it was proved in (?) that for any fixed W0≥4W_{0}\geq 4, we have

5 Interpolation by neural network outputs

A common strategy for approximating a given target function ff is to interpolate some of its point values. Although this is often not a good method for approximation, it is important to understand when we can interpolate a given set of data, and how stable is this process. A satisfactory understanding of interpolation using NNs is far from complete. The purpose of this section is to frame the interpolation problem and point out what is known. We begin by considering interpolation by NNs with an arbitrary activation function σ\sigma and later specialize to ReLU activations.

This is the existence question for data interpolation. In the case interpolants exist, let us denote by SI:=SI(W,L;σ,d){\cal S}_{I}:={\cal S}_{I}(W,L;\sigma,d) the set of functions S∈ΥW,L(σ;d,1)S\in\Upsilon^{W,L}(\sigma;d,1) which satisfy the interpolation conditions (33).

Given that we are going to use the set ΥW,L(σ;d,1)\Upsilon^{W,L}(\sigma;d,1) for interpolation, the first question to ask is: Question: Determine the largest value D∗:=D∗(W,L;σ,d)D^{*}:=D^{*}(W,L;\sigma,d) such that the interpolation problem has a solution from ΥW,L(σ;d,1)\Upsilon^{W,L}(\sigma;d,1) for all data sets of size D∗D^{*}. One expects that D∗D^{*} should be closely related to the number of parameters used to describe ΥW,L(σ;d,1)\Upsilon^{W,L}(\sigma;d,1).

There seems to be only one general theorem addressing the interpolation problem for general activation functions σ\sigma. It applies to the case of single hidden layer networks, that is, L=1L=1, and is discussed in detail in the survey article (?), see Theorem 5.1 in that paper.

The following sections discuss the interpolation problem for ReLU activation where more results are known.

We take any points ξj\xi_{j} that satisfy the interlacing property

We establish that interpolation is possible by induction on WW. When W=1W=1, we choose c:=y1c:=y_{1} and a1a_{1} so that c+a1(t(2)−ξ1)=y2c+a_{1}(t^{(2)}-\xi_{1})=y_{2}. For the induction step, let S0(t):=c+∑j=1W−1aj(t−ξj)+S_{0}(t):=c+\sum_{j=1}^{W-1}a_{j}(t-\xi_{j})_{+} satisfy the first WW interpolation conditions. We define aWa_{W} so that we have

Finally, we want to see that interpolation at W+2W+2 points is generally not possible. For this, we use the following proposition which will also be useful when we discuss the Vapnik–Chervonenkis (VC) dimension of NNs.

if ξ≤t(1)\xi\leq t^{(1)}, then SS is linear on [t(1),∞)[t^{(1)},\infty), and therefore cannot satisfy the three interpolation conditions.

if ξ∈(t(1),t(2))\xi\in(t^{(1)},t^{(2)}), then in order for SS to satisfy the first two interpolation conditions, we would need c>0c>0 and a<0a<0. So, the function SS is then a non-increasing function of tt and thus S(t(3))≤S(t(2))S(t^{(3)})\leq S(t^{(2)}), which shows that SS cannot satisfy the third interpolation condition.

if ξ≥t(2)\xi\geq t^{(2)} then SS cannot satisfy the first two interpolation conditions, since SS is constant on (−∞,ξ](-\infty,\xi].

if t(n)<ξn−1t^{(n)}<\xi_{n-1}, then S0(t(j))=S(t(j))=yjS_{0}(t^{(j)})=S(t^{(j)})=y_{j}, j=1,…,n,j=1,\ldots,n, and S0S_{0} would contradict the induction hypothesis. Hence this case is not possible.

This completes the proof of the proposition. □\Box

It is also possible to produce an interpolant to given data by using deep networks with a fixed width. This of course follows from (32) together with what we have just proved. However, we wish to give a direct construction because it will be used later in this paper.

Proof: We have shown above that there is an SS of the form (36) with W:=D−1W:=D-1, that satisfies the interpolation conditions (37). We view SS as a function on $andconstructaspecialnetworkthatoutputsanysuchand construct a special network that outputs any suchS.Thefirstchannelofthisspecialnetworkisasourcechannelthatpushesforwardtheinput. The first channel of this special network is a source channel that pushes forward the inputtandthelastchannelisacollationchannel.Thislastchannelisinitializedwithatlayerand the last channel is a collation channel. This last channel is initialized with at layer1andthensuccessivelycollectsthesumsand then successively collects the sums\sum_{i=1}^{j-1}a_{i}(t-\xi_{i})_{+}atlayersat layers2,\ldots,D-1,respectively,whilethemiddlechannelsuccessivelyproducestheterms, respectively, while the middle channel successively produces the termsa_{j}(t-\xi_{j})_{+},atlayers, at layersj=1,\dots,D-1,usingtheinputs, using the inputstfromthesourcechannel.Wecanthenoutputfrom the source channel. We can then outputSfromlayerfrom layerD-1..\Box$

We turn now to results that hold for general d≥1d\geq 1. There is a simple way to derive interpolation results for arbitrary d>1d>1 from those for d=1d=1. Let

then the ridge function f(x):=g(v⋅x)f(x):=g(v\cdot x) satisfies f(x(j))=yjf(x^{(j)})=y^{j}, j=1,…,Dj=1,\dots,D. We utilize this observation to prove the following.

While the above proposition is of theoretical interest, it is not used in practice because the ridge function interpolant does not reflect the local flavor of the data. A more common scenario is to construct via ReLU networks a dual basis {ϕj}\{\phi_{j}\}, j=1,…,Dj=1,\dots,D, for the data sites, that is, a basis that satisfies the conditions

The goal is to construct a locally supported dual basis. In that case, the interpolation operator

is a bounded projection onto span{ϕj}{\rm span}\{\phi_{j}\} whenever the data sites are in Ω\Omega. The norm of this projector,

to a large extent determines the approximation properties of interpolation at these sites.

where we insert the best approximation SS to ff from X(K)X({\cal K}) to obtain the last inequality. This allows one to deduce estimates for NN approximation from those known in FEM and also to exhibit simple linear operators which achieve these bounds.

6 VC dimension of ReLU outputs

The maximum value of nn for which there exists such a collection of nn points that are shattered by F{\cal F} is called the Vapnik-Chervonenkis (VC) dimension of F{\cal F} and is denoted by VC(F){\rm VC}({\cal F}), see (?).

Let us note that the definition of VC dimension of F{\cal F} only requires the existence of one set of points where shattering takes place. When proving upper bounds on the error of approximation, it is useful to know precisely which collections of points can be shattered. The reader will see how this issue arises when we use VC dimension in proving approximation results.

We are interested in describing the VC dimension of the set F{\cal F} of outputs of ReLU networks in terms of the number n(W,L)n(W,L) of their parameters. Let us now consider what is known in the special cases of interest to us.

We first consider the space ΥW,1\Upsilon^{W,1} of function of dd variables which is described by n(W,1)=(d+2)W+1n(W,1)=(d+2)W+1 parameters.

will be positive on the points in Λ\Lambda and zero on the rest of the points PjP_{j}, provided we take ε\varepsilon small enough. It follows that

and hence the lower bounds stated in (iii), follow from the lower bounds on VC dimension of C{\cal C} given in (?). (iv) The lower bounds in this case follow from the fact that we can interpolate any data at any (W+1)(W+1) data sites, see Propostion 3.7 and (35). □\Box

Next, we consider the case where W0W_{0} is fixed but sufficiently large, depending only on dd, and LL is allowed to vary. Note that in this case the number of parameters of the network n(W0,L)≍W02Ln(W_{0},L)\asymp W_{0}^{2}L. The following theorem gives bounds on the VC dimension of such networks.

Let W0W_{0} be fixed, and sufficiently large depending only on dd. There are fixed constants c1,C1c_{1},C_{1}, depending only on dd, such that

The upper bound in this theorem follows from Theorem 8 in (?). The remainder of this section will provide a proof of the lower bound in a form which will be used later in this paper to prove certain approximation results. Related lower bounds are stated in Theorem 3 of (?).

6.3 Bit extraction using ReLU networks

In order to avoid certain technicalities, we present this result only in the case d=1d=1. The full implementation for d≥2d\geq 2 can be found in (?) and (?).

Let N:=n2N:=n^{2} with n≥4n\geq 4 be an even integer. Define ti:=i/Nt_{i}:=i/N, i=0,1,…,Ni=0,1,\dots,N, and consider any data yiy_{i}, i=0,…,Ni=0,\dots,N, with the properties:

yi+1=yi+εiy_{i+1}=y_{i}+\varepsilon_{i}, with εi∈{−1,1}\varepsilon_{i}\in\{-1,1\} for all i=0,…,N−1i=0,\dots,N-1.

Before we present the proof of Theorem 3.10, which is a bit laborious, we introduce some notation, make several observations, and present the general idea of the proof.

First, note that for each i=0,1,…,N−1,i=0,1,\dots,N-1, there is a unique representation

Next, recall that any t∈t\in, can be represented as

where the bits Bk(t)∈{−1,1}B_{k}(t)\in\{-1,1\} of tt are found using the familiar quantizer function

with χI\chi_{I} denoting the characteristic function of a set II. The first bit of tt, B1(t)=Q(t)B_{1}(t)=Q(t) and has the residual R1(t):=2t−B1(t)∈R_{1}(t):=2t-B_{1}(t)\in. We find the later bits and residuals recursively as

Given our assigned bit sequence {εi}\{\varepsilon_{i}\}, i=0,…,N−1i=0,\ldots,N-1, available to us from the values yiy_{i}, i=0,1,…,Ni=0,1,\dots,N, we define the numbers

Note that Yj∈[−1+2−n,−2−n]∪[2−n,1−2−n]⊂Y_{j}\in[-1+2^{-n},-2^{-n}]\cup[2^{-n},1-2^{-n}]\subset, and the bits Bν(Yj)=εjn+ν−1B_{\nu}(Y_{j})=\varepsilon_{jn+\nu-1}, ν=1,…,n\nu=1,\dots,n.

that in addition satisfies (40). We construct SS by showing that each of the functions

are each outputs of ReLU networks of an appropriate size.

To do this, let δ=2−N\delta=2^{-N} and define:

the CPwL function J=JNJ=J_{N} which has breakpoints at each of the points

and no other breakpoints, and takes the value jj on the interval [ξj,ξj′][\xi_{j},\xi_{j}^{\prime}]. We also require J(1)=nJ(1)=n. Note that JJ has the property

the CPwL function K(t)=KN(t):=J(nt−J(t))K(t)=K_{N}(t):=J(nt-J(t)). Observe that the key property of KK is

Next, we would like to implement quantization by a neural network. However, the function QQ is not continuous, and so we cannot exactly reproduce QQ. Instead, we use a surrogate

We define the surrogate bits B^ν(t)\hat{B}_{\nu}(t) for t∈t\in by using Q^\hat{Q} in place of QQ in the recursive definition of BνB_{\nu}, described in (41). Because of the choice of δ\delta, B^ν\hat{B}_{\nu} can be used in place of BνB_{\nu} to compute the bits of tt whenever tt has the representation

For such a tt, we have B^ν(t)=Bν(t)\hat{B}_{\nu}(t)=B_{\nu}(t), ν=1,…,N−1\nu=1,\dots,N-1.

the CPwL function YY which has exactly the same breakpoints as JJ, see (44), and satisfies

with YjY_{j} defined in (42) and Y(1)=0Y(1)=0.

The function SS will be the output of a special neural network of width W=11W=11 and depth L=15n+2L=15n+2, which is a concatenation of four special networks that we describe below. The top channel of each of these networks is a source channel which simply passes forward the input tt. Some of the other channels are collation channels and are occupied by zeros in their first layers so that they can be used later for passing forward certain function values.

We want to point out that our construction is probably not optimal in the sense that it does not provide a NN with the best possible minimal width and depth that outputs SS. In addition, some of the channels in our NN are ReLU free. We have discussed earlier how we can construct a true ReLU network with the same outputs as a network that has ReLU free nodes.

First NN: This network, which we denote by N1{\cal N}_{1}, has depth 4n−24n-2 and for any input t∈t\in outputs the function value K(t)K(t). From our remarks on interpolation, see Proposition 3.6, we know that J(t)J(t) is the output of a special ReLU network N0{\cal N}_{0} of width W=3W=3 and depth 2n−12n-1, where channel three is a collation channel. The CPwL function KK is the output of a ReLU network N1{\cal N}_{1} of width W=3W=3 and depth 4n−24n-2, which is obtained by concatenating the network N0{\cal N}_{0} for JJ with itself and using nt−J(t)nt-J(t) as the input to the second of these networks. The third channel is a collation channel, used first to build J(t)J(t). Once J(t)J(t) is computed, it sends this value as an input to the 2n2n-th layer. Then, it is zeroed out by assigning a weight , and subsequently used as a collation channel to build K(t)K(t). It follows from (45) that the output of this network is k(i)k(i) when the input is tit_{i}. We add eight other channels with zero parameters. These channels will be used later.

and is zero otherwise, since 3(ν−k)+=03(\nu-k)_{+}=0 when ν≤k\nu\leq k and 3(ν−k)+≥33(\nu-k)_{+}\geq 3 when ν>k\nu>k. It follows from (49) that

Now, for i=0,…,N−1i=0,\dots,N-1, consider one of our points tit_{i} which is not a multiple of nn, that is, k(i)≠0k(i)\neq 0. Then Y(ti)=Yj(i)Y(t_{i})=Y_{j(i)}, K(ti)=k(i)K(t_{i})=k(i), and

Since we cannot produce BνB_{\nu} with a ReLU network, we use the surrogate B^ν\hat{B}_{\nu} in its place. This leads us to define the following function

This function satisfies the interpolation conditions (43) since the bits B^ν(Y(t))=Bν(Y(t))\hat{B}_{\nu}(Y(t))=B_{\nu}(Y(t)), ν=1,…,n\nu=1,\dots,n, whenever tt is one of the points tit_{i}, i=0,…,Ni=0,\dots,N, where interpolation is to take place. In addition, since for j=0,…,n−1j=0,\ldots,n-1, K(tjn)=0K(t_{jn})=0 and K(1)=J(0)=0K(1)=J(0)=0, we have

We verify this property when t∈[0,1/n)∩ΩN=[0,1/n−δ]t\in[0,1/n)\cap\Omega_{N}=[0,1/n-\delta] since the verification on the intervals [j/n,(j+1)/n)∩ΩN[j/n,(j+1)/n)\cap\Omega_{N}, j=1,…,n−1j=1,\dots,n-1, is the same. For t∈[0,1/n−δ]=[0,tn−δ]t\in[0,1/n-\delta]=[0,t_{n}-\delta] we have, see (48), Y(t)=Y0Y(t)=Y_{0}, and therefore for ν=1,…,n\nu=1,\dots,n, B^ν(Y(t))=B^ν(Y0)=Bν(Y0)=εν−1\hat{B}_{\nu}(Y(t))=\hat{B}_{\nu}(Y_{0})=B_{\nu}(Y_{0})=\varepsilon_{\nu-1}. Thus, see (50), we have

if t∈[0,t1−δ]t\in[0,t_{1}-\delta], then K(t)=0K(t)=0 and

and thus (51) is satisfied for these tt.

if t∈[tk,tk+1−δ]⊂[0,tn−δ]t\in[t_{k},t_{k+1}-\delta]\subset[0,t_{n}-\delta], with 1≤k<n1\leq k<n, then K(t)=kK(t)=k and

if t∈(tk−δ,tk)t\in(t_{k}-\delta,t_{k}), 1≤k≤n−11\leq k\leq n-1, then k−1≤K(t)<kk-1\leq K(t)<k and

It follows from the definition of TT that

with ∣η∣≤1|\eta|\leq 1, and therefore (51) is satisfied in this case as well.

Fourth and Fifth NNs: These are the networks N4{\cal N}_{4} and N5{\cal N}_{5} outputting UU and U^\hat{U}. We augment them with collation channels so that they have width 1111. Since they already have a source channel (channel 1), there is no need to add such a channel.

Classical model classes: smoothness spaces

In order to prove anything quantitative about the rate of approximation of a given target function ff, one obviously needs to assume something about ff. Such assumptions are referred to as model class assumptions. We say that a set KK in a Banach space XX is a model class of XX if KK is compact in XX. The classical model classes for multivariate functions are the unit balls of smoothness spaces such as Lipschitz, Hölder, Sobolev, and Besov spaces. We give a brief (mostly heurestic) review of these spaces in this section. A detailed development of these spaces can be found in the standard references, see e.g. (?, ?, ?, ?, ?).

As a starting point, we recall that the Lp(Ω)L_{p}(\Omega) spaces consist of all Lebesgue measurable functions ff for which ∣f∣p|f|^{p} is integrable. We define

This is a norm when 1≤p<∞1\leq p<\infty and a quasi-norm when 0<p<10<p<1. When p=∞p=\infty, one usually takes X=C(Ω)X=C(\Omega), the space of continuous functions on Ω\Omega with the uniform norm

However, on occasion we, need the space L∞(Ω)L_{\infty}(\Omega) consisting of all functions that are essentially bounded on Ω\Omega with

We assume throughout that the reader is familiar with the standard properties of these spaces.

2 Sobolev spaces

We begin by defining smoothess spaces of continuous functions. If rr is a positive integer then Cr:=Cr(Ω)C^{r}:=C^{r}(\Omega), Ω=d\Omega=^{d}, is the set of all continuous functions ff defined on Ω\Omega, which have classical derivatives DαfD^{\alpha}f for all α\alpha with ∣α∣=r|\alpha|=r, where ∣α∣:=∑j=1d∣αj∣=r|\alpha|:=\sum_{j=1}^{d}|\alpha_{j}|=r. We equip this space with the semi-norm

A norm on this space is given by ∥f∥Cr(Ω):=∣f∣Cr(Ω)+∥f∥C(Ω)\|f\|_{C^{r}(\Omega)}:=|f|_{C^{r}(\Omega)}+\|f\|_{C(\Omega)}.

The Sobolev spaces (of integer order) generalize the spaces CrC^{r} by imposing weaker assumptions on the derivatives DαfD^{\alpha}f. First, the notion of weak (or distributional) derivatives DαfD^{\alpha}f is introduced in place of classical derivatives. Then, for any 1≤p≤∞1\leq p\leq\infty, the Sobolev space Wr(Lp(Ω))W^{r}(L_{p}(\Omega)) is defined as the set of all f∈Lp(Ω)f\in L_{p}(\Omega) such that Dαf∈Lp(Ω)D^{\alpha}f\in L_{p}(\Omega) for all ∣α∣=r|\alpha|=r. We equip this space with the semi-norm

and obtain a norm on this space by ∥f∥Wr(Lp(Ω)):=∣f∣Wr(Lp(Ω))+∥f∥Lp(Ω).\|f\|_{W^{r}(L_{p}(\Omega))}:=|f|_{W^{r}(L_{p}(\Omega))}+\|f\|_{L_{p}(\Omega)}.

3 Besov spaces

The Sobolev spaces above are not sufficient because they only classify smoothness for integer values rr. There is a long history of introducing smoothness spaces for any order s>0s>0. This began with Lipschitz and Hölder spaces and culminated with the Besov spaces that we define in this section.

Given a function f∈Lp(Ω)f\in L_{p}(\Omega), 0<p≤∞0<p\leq\infty, and any integer rr, we define its modulus of smoothness of order rr as

where this difference is set to zero whenever one of the points x+khx+kh is not in Ω\Omega. It is easy to see that for any f∈Lp(Ω)f\in L_{p}(\Omega), we have ωr(f,t)p→0\omega_{r}(f,t)_{p}\to 0, when t→0t\to 0. How fast this modulus tends to zero with tt measures the LpL_{p} smoothness of ff.

For example, the Lipschitz space Lip(α,p){\rm Lip}(\alpha,p) for 0<α≤10<\alpha\leq 1 and 0<p≤∞0<p\leq\infty consist of those functions f∈Lp(Ω)f\in L_{p}(\Omega) for which

and the smallest MM for which this holds is the semi-norm ∣f∣Lip(α,p)|f|_{{\rm Lip}(\alpha,p)}. Again, we obtain a norm on this space by simply adding ∥f∥Lp(Ω)\|f\|_{L_{p}(\Omega)} to the semi-norm.

The Besov spaces generalize the measure of smoothness in two ways. They allow for rr to be replaced by any s>0s>0 and they introduce a finer way to measure decay of the modulus as tt tends to zero. This finer decay is controlled by a new parameter 0<q≤∞0<q\leq\infty.

If f∈Lp(Ω)f\in L_{p}(\Omega), 0<p,q≤∞0<p,q\leq\infty and s>0s>0, the space Bqs(Lp(Ω))B_{q}^{s}(L_{p}(\Omega)) is defined as the set of functions ff for which

Notice here that the LqL_{q} norm is taken with respect to the Haar measure dt/tdt/t. The case q=∞q=\infty is simply the supremum norm over t>0t>0. The norm on this space is ∥f∥Bqs(Lp(Ω)):=∣f∣Bqs(Lp(Ω))+∥f∥Lp(Ω)\|f\|_{B_{q}^{s}(L_{p}(\Omega))}:=|f|_{B_{q}^{s}(L_{p}(\Omega))}+\|f\|_{L_{p}(\Omega)}.

The Besov spaces are now a standard way of measuring smoothness. Functions in this space are said to have smoothness of order ss in LpL_{p} with qq giving a finer gradation of this smoothness. We mention without a proof a few of the properties of these spaces that are frequently used in analysis.

First, notice that when s∈(0,1)s\in(0,1) and q=∞q=\infty, these spaces are the Lip(s,p){\rm Lip}(s,p) spaces. However, the space B∞1(Lp(Ω))B_{\infty}^{1}(L_{p}(\Omega)) is not Lip(1,p){\rm Lip}(1,p) since ω2\omega_{2} is used in place of ω1\omega_{1} in the definition (54), thereby resulting in a slightly larger space. A second useful remark is that in (54) we could have used any r>sr>s and obtained the same space and an equivalent norm. When we insert qq into the picture, the requirement for ff to be in the space Bqs(Lp(Ω))B_{q}^{s}(L_{p}(\Omega)) gets stronger as qq gets smaller, namely, we have the following embeddings:

BE1: Let 0<p≤∞0<p\leq\infty. If s>s′s>s^{\prime} and 0<q,q′≤∞0<q,q^{\prime}\leq\infty or s=s′s=s^{\prime} and q≤q′q\leq q^{\prime}, we have ∣f∣Bq′s′(Lp(Ω))≤C∣f∣Bqs(Lp(Ω))|f|_{B_{q^{\prime}}^{s^{\prime}}(L_{p}(\Omega))}\leq C|f|_{B_{q}^{s}(L_{p}(\Omega))} with the constant CC independent of ff.

BE2: If 0<p<p′≤∞0<p<p^{\prime}\leq\infty and 0<q,q′≤∞0<q,q^{\prime}\leq\infty then ∣f∣Bqs(Lp(Ω))≤∣f∣Bq′s(Lp′(Ω))|f|_{B_{q}^{s}(L_{p}(\Omega))}\leq|f|_{B_{q^{\prime}}^{s}(L_{p^{\prime}}(\Omega))}.

We also have the well known Sobolev embeddings for Besov spaces. BE3 Let 0<p≤∞0<p\leq\infty. For any s>0s>0 and 0<q≤∞0<q\leq\infty, we have that the unit ball U(Bqs(Lτ(Ω)))U(B_{q}^{s}(L_{\tau}(\Omega))), 0<q≤∞0<q\leq\infty, is a compact subset of Lp(Ω)L_{p}(\Omega) whenever s>dτ−dps>\frac{d}{\tau}-\frac{d}{p}.

An often used fact about Besov spaces is that functions in these spaces can be described by certain so-called atomic decompositions. Historically, this began with the Littlewood-Paley decompositions, see (?). In the case of approximation by ReLU networks, the two most relevant decompositions are those using spline functions or wavelets. We discuss the case of spline decompositions. Details and proofs can be found, for example, in (?).

Let r≥1r\geq 1 be a positive integer and consider the univariate cardinal B-spline NrN_{r} of order rr (degree r−1r-1), which is defined by

The multivariate cardinal B-splines are defined as tensor products

The splines NIN_{I} provide an atomic decomposition for many function spaces and, in particular, the LpL_{p}, Sobolev, and Besov spaces. Consider, for example, Ω=d\Omega=^{d} and denote by Dk(Ω){\cal D}_{k}(\Omega) the set of those I∈DkI\in{\cal D}_{k} for which the support of NIN_{I} nontrivially intersects Ω\Omega. Then each f∈L1(Ω)f\in L_{1}(\Omega) has a representation

where the cIc_{I}’s are linear functionals on L1L_{1}, and D+(Ω)=⋃k≥0Dk(Ω){\cal D}_{+}(\Omega)=\bigcup_{k\geq 0}{\cal D}_{k}(\Omega). The representation (57) is not unique since the NIN_{I}’s are not linearly independent. However, we can fix the cIc_{I}’s so that all properties stated below in this section are valid.

We can characterize membership of ff in a Besov space Bqs(Lp(Ω))B_{q}^{s}(L_{p}(\Omega)) in terms of the decomposition (57), see Corollary 5.3 in (?). Namely, f∈Bqs(Lp(Ω))f\in B^{s}_{q}(L_{p}(\Omega)), 0<s<min⁡{r,r−1+1/p}0<s<\min\{r,r-1+1/p\}, and 0<q,p≤∞0<q,p\leq\infty if and only if ff has the representation (57) with coefficients cI(f)c_{I}(f) satisfying

for 0<q,p<∞0<q,p<\infty, with the obvious modifications when either pp or qq is infinity. Moreover, ∥⋅∥′\|\cdot\|^{\prime} is equivalent to the usual Besov norm. This fact is the starting point for proving many approximation theorems for functions in Besov spaces.

4 Interpolation of operators

Next, we mention how from known upper bounds for approximation error on a model class, we can derive new upper bounds on a spectrum of new model classes by using results from the theory of interpolation of operators. We assume the reader is familiar with the rudiments of the theory of interpolation spaces via the real method of interpolation, see either (?) or (?).

Given two Banach spaces X,YX,Y with (for convenience) YY continuously embedded in XX, the real method of interpolation generates a family of new Banach spaces (X,Y)θ,q(X,Y)_{\theta,q}, 0<θ<10<\theta<1, 0<q≤∞0<q\leq\infty, which interpolate between them. These spaces are defined via what is called the KK functional for the pair

where ∥⋅∥X\|\cdot\|_{X} is the norm on XX and ∣⋅∣Y|\cdot|_{Y} is a semi-norm on YY When YY is not continuously embedded in XX, we use ∥⋅∥Y\|\cdot\|_{Y} in the definition of KK.. The space (X,Y)θ,q(X,Y)_{\theta,q}, 0<θ<10<\theta<1, 0<q≤∞0<q\leq\infty, then consists of all f∈Xf\in X, such that

where the LqL_{q} norm is taken with respect to the Haar measure dt/tdt/t. The important fact for us is that for classical pairs (X,Y)(X,Y) of spaces such as LpL_{p} and Besov/Sobolev spaces, the interpolation spaces are known and can be used to easily extend known error estimates for approximation. We mention two typical approximation results. By U(Y)U(Y) we mean the unit ball of the space YY. Extend 1: If Σn⊂X\Sigma_{n}\subset X is a set that provides the approximation error

then for the space Z=(X,Y)θ,qZ=(X,Y)_{\theta,q}, 0<θ<10<\theta<1 and  0<q≤∞\ 0<q\leq\infty, we have

Extend 2: If for the Banach spaces Y0,Y1Y_{0},Y_{1} continuously embedded in XX, and the set Σn⊂X\Sigma_{n}\subset X, we know that

then it follows that for Z:=(Y0,Y1)θ,qZ:=(Y_{0},Y_{1})_{\theta,q}, 0<θ<10<\theta<1 and  0<q≤∞\ 0<q\leq\infty, we have

We know that there is an S∈ΣnS\in\Sigma_{n} which approximates gg to accuracy εn∥g∥Y\varepsilon_{n}\|g\|_{Y}. For this SS, we have

Here is a simple but typical example of Extend 1. If we establish a bound εn\varepsilon_{n} for approximation of functions in U(Lip 1)U({\rm Lip}\ 1) with error measured in X=C(Ω)X=C(\Omega), then we automatically get the bound ϵnα\epsilon_{n}^{\alpha} for approximating functions from U(Lip α)U({\rm Lip}\ \alpha), 0<α<10<\alpha<1, because Lip α=(C(Ω),Lip 1)α,∞\alpha=(C(\Omega),{\rm Lip}\ 1)_{\alpha,\infty}.

Evaluation of nonlinear methods of approximation

Before embarking on an analysis of the approximation performance of ReLU networks, we wish to place this type of approximation into the usual setting of approximation theory, and thereby draw out the type of questions that should be answered. As we have noted, approximation using the outputs of neural networks with a fixed architecture is a form of nonlinear approximation known as manifold approximation. Given a target function ff in a Banach space XX, the approximation is given by An(f):=Mn(an(f))A_{n}(f):=M_{n}(a_{n}(f)), where the two maps

select the nn parameters of the network and output the approximation, respectively.

Of course, there are many methods of approximation. The question we address in this section is how could we possibly determine if approximation by NNs is in some quantifiable sense superior to other more traditional methods of approximation. Also, what are the inherent limits on the capacity of NNs to approximate, once the number nn of parameters allocated to the approximation is fixed? To answer such questions, we introduce various traditional ways to compare approximation methods and say with certainty whether an approximation method is optimal among all methods of approximation, or perhaps among all approximation methods with a specified structure. How NNs do under such methods of comparison is not the subject of this section. That topic is dealt with in later sections of this paper.

To begin the discussion, we take the view that an approximation method is a sequence

of nested sets to be used in approximating functions ff from the Banach space XX in the norm ∥⋅∥X\|\cdot\|_{X}. Here nn, in some sense, measures the complexity of Σn\Sigma_{n}. The typical spaces XX used in practice are the spaces Lp(Ω).L_{p}(\Omega). However, at this point, we let XX be any Banach space of functions on Ω\Omega with a norm ∥⋅∥X\|\cdot\|_{X}.

The various methods of approximation are divided into two general categories: linear and nonlinear. A method is said to be linear if, for each nn, the set Σn\Sigma_{n} is a linear space of dimension nn, that is, Σn\Sigma_{n} is the linear span of nn elements from XX. The standard examples are spaces of polynomials, splines, and wavelets. Note that the term linear does not refer to how the approximation depends on f∈Xf\in X. It only refers to the structure of each Σn\Sigma_{n}, n≥0n\geq 0. All other methods of approximation are referred to as nonlinear. For nonlinear methods, a linear combination of elements from Σn\Sigma_{n} may not lie in Σn\Sigma_{n}. There are three prominent examples of nonlinear approximation we wish to mention.

where χCj\chi_{{\cal C}_{j}} is the characteristic function of the cell Cj{\cal C}_{j}. The partitions are not fixed but allowed to vary within a class of partitions that can be described by nn parameters. We have already seen an example of this in the case of free-knot CPwL functions of one variable, in which case the partition was allowed to consist of any nn intevals. In the multivariate case, the allowable partitions are more structured and usually generated adaptively. The rough idea of this form of approximation is to use small cells where the target function is rough and large cells where the function is smooth.

Another widely used example of nonlinear approximation is nn-term approximation. Let B:={ϕj, j≥1}B:=\{\phi_{j},\,j\geq 1\} be an unconditional basis for XX. The set Σn:=Σn(B)\Sigma_{n}:=\Sigma_{n}(B) in this case consists of all functions S∈XS\in X which are a linear combination of at most nn of these basis elements. Thus, each S∈Σn(B)S\in\Sigma_{n}(B) takes the form

Neural network approximation fits most naturally into a third type of nonlinear approximation known as manifold approximation. In manifold approximation, the elements of S∈ΣnS\in\Sigma_{n} take the form

Given an approximation method Σ:=(Σn)n≥0\Sigma:=(\Sigma_{n})_{n\geq 0} and f∈Xf\in X, we let

denote the error of approximation of ff by elements from Σn\Sigma_{n}. Note that En(f)XE_{n}(f)_{X} gives the smallest error we can achieve using Σn\Sigma_{n} to do the approximation, but it does not address the question of how to find such a best or near best approximation. This is an important issue, especially for NN approximation, that we address later in this section.

An often quoted property of NNs is their universality, which means that En(f)X→0E_{n}(f)_{X}\to 0 as n→∞n\to\infty, for all f∈Xf\in X. This is a property possessed by all approximation methods used in numerical analysis. Universality is not at all special and certainly cannot be used to explain the success of NNs.

We do not measure the performance of an approximation method on a single function ff but rather on a class K⊂XK\subset X of functions. In this case, we have the class error

Here, KK incorporates the knowledge we have about the function or potential functions ff that we are trying to capture. For example, when numerically solving a PDE, KK is typically provided by a regularity theorem for the PDE. In the case of signal processing, KK summarizes what is known or assumed about the underlying signal, such as bandlimits or sparsity.

Note that En(K)XE_{n}(K)_{X} represents the worst case error. It is also possible to measure error in some averaged sense. This would be meaningful, for example, when the set KK is given by a stochastic process with some underlying probability measure. For now, we discuss only the worst case error.

A set KK on which we wish to measure the performance of an approximation method is called a model class. We always assume that KK is a compact subset of XX. If the approximation process is universal, then En(K)X→0E_{n}(K)_{X}\to 0 as n→∞n\to\infty for every model class KK. How fast it tends to zero represents how good the sets (Σn)n≥0(\Sigma_{n})_{n\geq 0} are for approximating the elements of KK.

If we are presented with approximation processes given by Σ=(Σn)n≥0\Sigma=(\Sigma_{n})_{n\geq 0} and Σ′=(Σn′)n≥0\Sigma^{\prime}=(\Sigma^{\prime}_{n})_{n\geq 0} respectively, then given a model class KK, we can compare the performance of these methods on KK by checking the decay of En(K,Σ)XE_{n}(K,\Sigma)_{X} and En(K,Σ′)XE_{n}(K,\Sigma^{\prime})_{X} as n→∞n\to\infty. If the decay rate of En(K,Σ)XE_{n}(K,\Sigma)_{X} is faster than that of En(K,Σ′)XE_{n}(K,\Sigma^{\prime})_{X} as n→∞n\to\infty, we are tempted to say that Σ\Sigma is superior to Σ′\Sigma^{\prime} at least on this model class. However, the question of the computability of the approximant is an important issue and has to be taken into consideration.

To drive home this latter point, the following example is germane. Given a compact set K⊂XK\subset X and ε>0\varepsilon>0, let S1=S1(ε)S_{1}=S_{1}(\varepsilon) be a finite subset of KK such that dist(f,S1)X≤ε{\rm dist}(f,S_{1})_{X}\leq\varepsilon for all f∈Kf\in K. For example, S1S_{1} could be the set of centers of an ε\varepsilon covering of KK. Going further, we can find a one dimensional manifold Σ1\Sigma_{1} that is parameterized by t∈t\in and passes through each point in S1S_{1} as tt runs through $,andthus, and thusE(K,\Sigma_{1})_{X}\leq\varepsilon.Thepointofthissimpleobservationistoemphasizethatwemustplacesomefurtherrestrictionsonwhatweallowasanapproximationmethod. The point of this simple observation is to emphasize that we must place some further restrictions on what we allow as an approximation method(\Sigma_{n})_{n\geq 0}$ so that we can have a meaningful theory. What such restrictions should look like and what are their implications is the subject we address next.

2 Widths for measuring approximation error

The concept of widths was introduced to quantify the best possible performance of approximation methods on a given model class KK. The best known width is the Kolmogorov width, which was introduced to quantify the best possible approximation when using linear spaces. If XnX_{n} is a linear subspace of XX of dimension nn, then its performance in approximating the elements of the model class KK is given by the error E(K,Xn)XE(K,X_{n})_{X} defined in (5.1). If we fix the value of n≥0n\geq 0, the Kolmogorov nn-width of KK is defined as

where the infimum is taken over all linear spaces Y⊂XY\subset X of dimension nn. An nn dimensional space which achieves the infimum in (62) is called a Kolmogorov space for KK if it exists.

The Kolmogorov nn-width of a model class KK tells us the optimal performance possible for approximating KK using linear spaces of dimension nn for the approximation. It does not tell us how to select a (near) optimal space YY of dimension nn for this purpose nor how to find a good/best approximation from YY once it is chosen. In recent years, discrete optimization methods have been discovered for finding optimal subspaces. They go by the name of greedy algorithms, see (?), (?), (?). If XX is a Hilbert space and YY is a finite dimensional subspace, then we can always find the best approximation from YY to a given f∈Xf\in X by orthogonal projections. This becomes a problem when XX is a general Banach space because linear projections onto a general nn dimensional space YY may have large norm when nn is large. Although a famous theorem of Kadec-Snobar says that there is always a projection with norm at most n\sqrt{n}, finding such a projection is a numerical challenge. Also, projecting onto such a linear space does not give the best approximation from the space because the norm of the projection is large.

For classical model classes such as the finite ball in smoothness spaces like the Lipschitz, Sobolev, or Besov spaces, the Kolmogorov widths are known asymptotically when XX is an LpL_{p} space. Furthermore, it is often known that specific linear spaces of dimension nn such as polynomials, splines on uniform partition, etc., achieve this optimal asymptotic performance (at least within reasonable constants). This can then be used to show that for such KK, certain numerical methods, such as spectral methods or FEMs are also asymptotically optimal among all possible choices of numerical methods built on using linear spaces of dimension nn for the approximation.

Let us note that in the definition of Kolmogorov widths we are not requiring that the mapping which sends f∈Kf\in K into the approximation to ff is a linear map. There is a concept of linear width which requires the linearity of the approximation map. Namely, given n≥0n\geq 0 and a model class K⊂XK\subset X, its linear width dnL(K)Xd_{n}^{L}(K)_{X} is defined as

where the infimum is taken over the class Ln{\cal L}_{n} of all linear maps from XX into itself with rank at most nn. The asymptotic decay of linear widths for classical smoothness classes are also known. We refer the reader to the books (?), (?) for the fundamental results for Kolmogorov and linear widths. When XX is not a Hilbert space, the linear width of KK can decay worse than the Kolmogorov width.

Now, we want to make a very important point. There is a general lower bound on the decay of Kolmogorov widths that was given by Carl in (?). This lower bound can be very useful in showing that a linear method of approximation is nearly optimal. To state this lower bound, we need to introduce the Kolmogorov entropy of a compact set KK. Given ε>0\varepsilon>0, compactness says that KK can be covered by a finite number of balls of radius ε\varepsilon, see Figure 5. We define the covering number Nε(K)XN_{\varepsilon}(K)_{X} to be the smallest number of balls of radius ε\varepsilon that cover KK, and we define the entropy Hε(K)XH_{\varepsilon}(K)_{X} of KK to be the logarithm of this number

The entropy of KK measures how compact the set KK is and is often used to give lower bounds on how well we can approximate the elements in KK and also how well we can learn an element from KK given data observations. The Kolmogorov entropy of a compact set is an important quantity for measuring optimality, not only in approximation theory and numerical analysis, but also in statistical estimation and encoding of signals and images.

To formulate the lower bounds for widths in terms of entropy, we introduce the related concept of entropy numbers. Given n≥0n\geq 0, we define the entropy number εn(K)X\varepsilon_{n}(K)_{X} to be the infimum of all ε>0\varepsilon>0 for which 2n2^{n} balls of radius ε\varepsilon cover KK, that is,

The decay rate of entropy numbers for all classical smoothness spaces in Lp(Ω)L_{p}(\Omega) are known.

Carl proved that for each r>0r>0, there is a constant CrC_{r}, depending only on rr, such that

Thus, for polynomial decay rates for approximation by nn dimensional linear spaces, this decay rate cannot be better than the decay rate for the entropy numbers of KK. Let us note that for many standard model classes KK, such as finite balls in Sobolev and Besov spaces, the decay rate of dn(K)Xd_{n}(K)_{X} is much worse than εn(K)X\varepsilon_{n}(K)_{X}. A version of Carl’s inequality holds for other decay rates, even exponential, and can be found in (?).

3 Nonlinear widths

Since NN approximation is a nonlinear method of approximation, the Kolmogorov widths are not an appropriate measure of performance. Many different notions of nonlinear widths, see the discussion in (?), have been introduced to match the various forms of nonlinear approximation used in numerical computations. We shall discuss only nonlinear widths that match the form of approximation provided by NNs.

There are by now numerous papers that discuss the approximation by NNs. They typically provide estimates for E(K,Σn)XE(K,\Sigma_{n})_{X} for certain model classes KK. We will discuss such estimates subsequently in §7 and §8. We have cautioned that such results must be taken with a grain of salt since they do not typically discuss how the approximation would be found or numerically constructed. Our point of view is that it is not just an issue of how well Σn\Sigma_{n} approximates KK, although this is indeed an interesting question, but also how a good approximation would be found. In other words, the parameter selection mapping ana_{n} is equally important.

and the approximation error on a model class K⊂XK\subset X by

and we have equality when we choose a(f)a(f) so that M(a(f))M(a(f)) is a best approximation to ff (assuming such a best approximation exists) from Σn\Sigma_{n}.

A first possibility for defining optimal performance of such methods of manifold approximation on a model class KK would be to simply find the minimum of Ea,M(K)XE_{a,M}(K)_{X} over all such pairs of mappings. However, we have already pointed out that this minimum would always be zero (even when n=1n=1) because of the existence of space filling manifolds. On the other hand, these space filling manifolds are useless in numerical analysis. Consider, for example, a one parameter space filling manifold. By necessity, a small perturbation of the parameter will generally result in a large change in the output, which makes parameter selection for fitting ff impossible. The natural question that arises is what restrictions need to be imposed on the mappings a,Ma,M so that we have a theory which corresponds to reasonable numerical methods. We discuss this next.

4 Restrictions on a,M𝑎𝑀a,M in manifold approximation

The first suggestion, given in (?), for the possible restrictions to place on the mappings a,Ma,M, was to require that they be continuous. This led to the following definition of manifold widths δn(K)X\delta_{n}(K)_{X},

It turns out that even with these very modest assumptions on the mappings a,Ma,M, one can prove lower bounds for δn(K)X\delta_{n}(K)_{X} when KK is a unit ball of a classical smoothness space, e.g. Besov, Sobolev, Lipschitz, and these lower bounds show that manifold approximation is no better than other methods of nonlinear approximation such as nn-term wavelet approximation or adaptive finite element approximation for these model classes. For example, if we approximate in Lp(Ω)L_{p}(\Omega), with Ω=d\Omega=^{d}, and KK is a unit ball of any Besov space that embeds compcatly into Lp(Ω)L_{p}(\Omega), then it was show in (?) that

This should not be used to deduce that manifold approximation, in general, and NN approximation, in particular, offer nothing new in terms of their ability to approximate. It may be that their power to approximate lies in their ability to handle non-traditional model classes. Nevertheless, this should make us proceed with caution.

A stark criticism of manifold widths is that its requirement of continuity of the mappings is too minimal and does not correspond to the notions of numerical stability used in practice. In other words, manifold approximation based on just assuming that a,Ma,M are continuous may also not be implementable in a numerical setting. We next discuss what may be more viable restrictions on a,Ma,M that match numerical practice.

5 Stable manifold widths

A major issue in the implementation of a method of approximation is its stability, that is, its sensitivity to computational error or noisy inputs. The stability we want can be summarized in the following two properties: (S1) When we input ff into the algorithm, we often input a noisy discretization of ff, which can be viewed as a perturbation of ff. So, we would like to have the property that when ∥f−g∥X\|f-g\|_{X} is small, the algorithm outputs M(a(g))M(a(g)) which is close to M(a(f))M(a(f)). A standard quantification of this is to require that the mapping A:=M∘aA:=M\circ a is a Lipschitz mapping from KK to XX. Notice that in this formulation the perturbation gg should also be in KK.

If a,Ma,M satisfy (67)-(68), then obviously (S1) and (S2) hold, where the Lipschitz constant in (S1) is γ2\gamma^{2}.

Imposing Lipschitz stability on a,Ma,M leads to the following definition of stable manifold widths

6 Bounds for stable manifold widths

Both upper and lower bounds for stable manifold widths of a compact set KK are given in (?). These bounds are tight in the case when the approximation takes place in a Hilbert space. Approximation in a Hilbert space is often used in applications of NNs.

Lower bounds for the decay of stable manifold widths in a general Banach space XX are given by the following Carl’s type inequality, see (64), which compares δn∗(K)X\delta_{n}^{*}(K)_{X} with the entropy numbers εn(K)X\varepsilon_{n}(K)_{X}. Specifically, for any r>0r>0, we have

This shows that whenever the stable manifold widths δn∗(K)X\delta_{n}^{*}(K)_{X} of a model class KK tend to zero like O(n−r){\cal O}(n^{-r}), n→∞n\to\infty, then the entropy numbers of KK must have the same or faster rate of decay. Similar bounds are known when the decay rate n−rn^{-r}, n→∞n\to\infty, is replaced by other decays, see (?). In this sense, the stable manifold widths δn,γ∗(K)X\delta^{*}_{n,\gamma}(K)_{X} cannot tend to zero faster than the entropy numbers of KK.

The inequalities (69) give a bound for how well manifold approximation can perform on a model class KK once Lipschitz stability of the maps a,Ma,M is imposed. One might speculate, however, that in general εn(K)X\varepsilon_{n}(K)_{X} may go to zero faster than δn∗(K)X\delta_{n}^{*}(K)_{X}. This is not the case when X=HX=H is a Hilbert space, since in that case for any compact set K⊂HK\subset H, we have the estimate

proved in (?). This is a very useful information since it is often relatively easy to compute the entropy numbers of a model class KK. In addition, it is also a very useful result for our, yet to come, analysis of NN approximation.

According to the Kirszbraun extension theorem, see Theorem 1.12 from (?), the mapping aa can be extended from SnS_{n} to the whole HH, preserving the Lipschitz constant 1. The last step is to define MM on a(fj)a(f_{j}), j=1,…,2nj=1,\ldots,2^{n}, as

It is now easy to see that the approximation operator A:=M∘aA:=M\circ a gives the desired approximation performance since, with a suitable choice of jj, we have

Therefore, we have proved (70). Let us remark however that AA is not very constructive and that it is generally difficult to create Lipschitz mappings a,Ma,M that achieve the optimal performance in stable nonlinear widths.

7 Weaker measures of stability

(SP1) The mapping A:=M∘aA:=M\circ a, A:K→XA:K\to X is Lipschitz. We can even weaken this further to requiring only ∥A(f)−A(g)∥X≤C∥f−g∥Xα\|A(f)-A(g)\|_{X}\leq C\|f-g\|_{X}^{\alpha}, f,g∈Kf,g\in K, for some α∈(0,1]\alpha\in(0,1]. This is known as Lip α\alpha stability.

It follows that for i,j=1,…,Pε(K)i,j=1,\ldots,P_{\varepsilon}(K),

where we used (71). Since MnM_{n} is γ\gamma Lipschitz, we obtain

Now, since the balls of radius ε\varepsilon centered at the fif_{i} are a covering of KK, we have that

For example, the above derivation shows that whenever there are mappings an,Mna_{n},M_{n} satisfying (SP1)-(SP3), then we have the Carl inequality

Indeed, we take ε=3Cn−r\varepsilon=3Cn^{-r} and use (72) to find εcnlog⁡2n≤Cn−r\varepsilon_{cn\log_{2}n}\leq Cn^{-r} which gives (73).

8 Optimal performance for classical model classes described by smoothness

Although the definition of manifold widths places very mild conditions on the mappings a,Ma,M, it still turns out that these conditions are sufficiently strong to restrict how fast δn(K)X\delta_{n}(K)_{X} tends to zero for model classes built on classical notions of smoothness described by smoothness conditions such as Sobolev or Besov regularity. For example, if Bqs(Lτ(Ω))B_{q}^{s}(L_{\tau}(\Omega)), with Ω=d\Omega=^{d}, is any Besov space that lies above the Sobbolev embedding line for Lp(Ω)L_{p}(\Omega), then it is proven in (?) that

with the constants in this equivalence depending only on dd.

It turns out that the decay rate O(n−s/d){\cal O}(n^{-s/d}) can be obtained by many methods of nonlinear approximation such as adaptive finite elements or nn-term wavelet approximation. The main message for us is that even with this mild condition of imposing only continuity on the maps a,Ma,M, we cannot do better than the rate O(n−s/d){\cal O}(n^{-s/d}) for these classical smoothness classes when using manifold approximation. In particular, this holds for NN approximation with the restriction of continuity on the mappings a,Ma,M associated to the NNs.

9 VC dimension also limits approximation rates for model classes

The results we have given above provide lower bounds on how well a model class KK can be approximated by a stable manifold approximation. If we remove the requirement of stability, it is still possible to give lower bounds on approximation rates for model classes if the approximation method (Σn)n≥0(\Sigma_{n})_{n\geq 0} is made up of sets Σn\Sigma_{n} which have limited VC dimension. For such results, one needs some additional assumptions on the model class KK. We describe results of this type in this section.

Suppose KK is a model class in Lp(Ω)L_{p}(\Omega) with 1≤p≤∞1\leq p\leq\infty. A common technique in proving lower bounds on the Kolmogorov entropy or widths of KK is to exhibit a function ϕ∈Lp(Ω)\phi\in L_{p}(\Omega) with compact support for which the normalized dilate

is in KK, provided AA and λ\lambda are chosen appropriately. The function Φ\Phi is called a bump function. By choosing λ\lambda large, one concentrates the support of Φ\Phi but of course this is at the expense of making AA small in order to guarantee that the resulting ϕ\phi is in KK. The small support of Φ\Phi guarantees that the shifted functions Φi(⋅)=Φ(⋅−x(i))\Phi_{i}(\cdot)=\Phi(\cdot-x^{(i)}), i=1,…,Ni=1,\dots,N, are also in KK and these functions have disjoint supports, provided NN is not too large and the x(i)x^{(i)}’s are suitably spaced out in Ω\Omega. It then follows that for any assignment of signs Λ:=(ε1,ε2,…,εN)\Lambda:=(\varepsilon_{1},\varepsilon_{2},\ldots,\varepsilon_{N}), εi=±1, i=1,…,N\varepsilon_{i}=\pm 1,\ i=1,\dots,N, the function

is also in KK for a proper choice of BB. One then uses the rich family of functions fΛf_{\Lambda} as Λ\Lambda runs over the 2N2^{N} sign patterns to show that the Kolmogorov entropy of KK must be suitably large.

This strategy can be used to bound from below how well a model class can be approximated by sets with limited VC dimension. For illustration, we consider the simplest example where K=U(Cr(Ω))K=U(C^{r}(\Omega)), with rr being a positive integer, and measure approximation error in the norm ∥⋅∥C(Ω)\|\cdot\|_{C(\Omega)}. If we approximate the functions in KK by using a set F{\cal F} with VC(F)≤mVC({\cal F})\leq m, then we claim that there is a constant C=C(r,d)>0C=C(r,d)>0 such that

Now, to prove (76), we take λ=⌈(m+1)1/d⌉\lambda=\lceil(m+1)^{1/d}\rceil and obtain N≥m+1N\geq m+1 functions Φi(⋅):=Φ(⋅−x(i))∈K\Phi_{i}(\cdot):=\Phi(\cdot-x^{(i)})\in K, i=1,…,Ni=1,\dots,N, with disjoint supports. Then, for each choice of sign patterns the function fΛf_{\Lambda} from (75) is in KK and fΛ(x(i))=Aϕ(0)εif_{\Lambda}(x^{(i)})=A\phi(0)\varepsilon_{i}, i=1,…,Ni=1,\dots,N. Now fΛf_{\Lambda} is approximated by an SΛ∈FS_{\Lambda}\in{\cal F} to accuracy δ\delta. If δ\delta were smaller than Aϕ(0)A\phi(0), then the function SΛS_{\Lambda} would carry the sign pattern of the εi\varepsilon_{i} at each x(i)x^{(i)}. Hence, the points x(i)x^{(i)}, i=1,…,Ni=1,\dots,N, would be shattered by F{\cal F}. Since by assumption VC(F)≤mVC({\cal F})\leq m, this is not possible, and we must have δ≥Aϕ(0)\delta\geq A\phi(0). Since we have that ϕ(0)A=ϕ(0)(ϕ(0)+λr∣ϕ∣Cr(Ω))−1≥Cm−r/d\phi(0)A=\phi(0)(\phi(0)+\lambda^{r}|\phi|_{C^{r}(\Omega)})^{-1}\geq Cm^{-r/d}, this proves (76).

This argument can also be used to prove that there is an absolute constant C>0C>0 depending only on ss, such that for K=U(Bqs(L∞(Ω)))K=U(B_{q}^{s}(L_{\infty}(\Omega))), with s>0s>0, 0<q≤∞0<q\leq\infty, we have

whenever the VC dimension of F{\cal F} is at most mm. We leave the proof to the reader.

The logarithm in (78) can be removed when d=1d=1.

Notice that in the case of (78), the lower bound can be stated as C(s,d)[nlog⁡2n]−s/dC(s,d)[n\log_{2}n]^{-s/d}, where n=n(W,1)n=n(W,1) is the number of parameters used to describe ΥW,1\Upsilon^{W,1}. Thus, in this case, save for the logarithm, we cannot achieve any better approximation rates than that obtained by traditional linear methods of approximation. We discuss later in §7 what rates have been proved in the literature for one layer networks.

In the case of (79), the lower bound is of the form C(s,d)n−2s/dC(s,d)n^{-2s/d}, where n=n(W0,L)n=n(W_{0},L) is the number of parameters used to describe the space ΥW0,L\Upsilon^{W_{0},L}. The factor 22 in the exponent leaves open the possibility of much improved approximation rates (when compared with classical methods) when using deep networks. We shall show in §8.7 that these rates of approximation are attained.

We close this section by mentioning that the use of VC dimension to bound approximation rates from below seems to be restricted to the case when approximation error is measured in the norm ∥⋅∥C(Ω)\|\cdot\|_{C(\Omega)}. This makes one wonder if there is a concept analogous to VC dimension suitable for LpL_{p} approximation when p≠∞p\neq\infty.

10 Another measure of optimal performance: approximation classes

There is another important way to measure the performance of an approximation method Σ=(Σn)n≥0\Sigma=(\Sigma_{n})_{n\geq 0} by looking at the set of all functions which have a given approximation rate as n→∞n\to\infty. Let λ=(λn)n≥0\lambda=(\lambda_{n})_{n\geq 0} be a sequence of positive real numbers which decrease monotonically to zero. We define

and further define ∥f∥A(λ)\|f\|_{{\cal A}(\lambda)} as the smallest number Λ\Lambda for which (80) holds. The larger this set is, the better the approximation method Σ\Sigma is.

The case when λn:=(n+1)−r\lambda_{n}:=(n+1)^{-r} is the most often studied since it corresponds to the rates most often encountered in numerical scenarios. In this case, A(λ){\cal A}(\lambda) is usually denoted by

A major chapter in approximation theory is to characterize the approximation classes Ar{\cal A}^{r} for a given approximation method. The main theorems of approximation theory characterize Ar{\cal A}^{r} for polynomial and spline approximation. Such characterizations are also known for some methods of nonlinear approximation.

As we shall see, we are far from understanding the approximation classes Ar{\cal A}^{r} for NN approximation. However, some useful results on the structure of these classes can be found in (?).

Approximation using ReLU networks: overview

One of the impediments to giving a coherent presentation of the approximation properties of the outputs of neural networks, as the number of parameters increases, is the great variety of possible architectures of the networks. Namely, when examining the approximation efficiency, we can fix WW and let LL change, or fix LL and let WW change, or let both change simultaneously. We can also vary the architecture by allowing full connectivity or sparse connectivity between layers. We may also impose further structure on the weight matrices, leading, for example, to convolution networks. Moreover, we can as well consider a variety of activation functions σ\sigma.

While each such setting is of interest, we primarily concentrate on two cases of ReLU networks. The first is the case that most closely matches classical approximation, the set ΥW,1\Upsilon^{W,1} as W→∞W\to\infty. We shall see that even this case is not completely understood. At the other extreme is the case when we take the width WW to be some fixed constant W0W_{0} and let L→∞L\to\infty. This is a most illuminating setting in that we shall see a dramatic gain in approximation efficiency when the depth LL is allowed to grow. This is commonly referred to as the power of depth.

To provide a unified notational platform, we use Σn\Sigma_{n} for the set ΥW,L\Upsilon^{W,L} under consideration, where nn is equivalent to the number of parameters being used. For example, we can take Σn=Υn,1\Sigma_{n}=\Upsilon^{n,1} or Σn=ΥW0,n\Sigma_{n}=\Upsilon^{W_{0},n} since both of these sets depend on a number of parameters proportional to nn. Our goal is to understand how the family Σ:=(Σn)n≥0\Sigma:=(\Sigma_{n})_{n\geq 0} performs as an approximation tool.

In what follows in this section, we consider the set ΥW,L\Upsilon^{W,L} restricted to the domain Ω:=d\Omega:=^{d}. Recall that each function S∈ΥW,LS\in\Upsilon^{W,L} is the output of a neural network with at most n(W,L)=(d+1)W+W(W+1)(L−1)+(W+1)n(W,L)=(d+1)W+W(W+1)(L-1)+(W+1) parameters. We consider the error of approximation to be measured in an Lp(Ω)L_{p}(\Omega) norm, 1≤p≤∞1\leq p\leq\infty. Therefore, for f∈Lp(Ω)f\in L_{p}(\Omega), we are interested in the error of approximation

when Σn\Sigma_{n} is one of the nonlinear sets ΥW,L\Upsilon^{W,L} and n≍n(W,L)n\asymp n(W,L). In the case p=∞p=\infty, we assume that ff is continuous and the error is measured in the ∥⋅∥C(Ω)\|\cdot\|_{C(\Omega)} norm, and so the results hold uniformly in x∈Ωx\in\Omega.

Note that using Lp(Ω)L_{p}(\Omega), 1≤p≤∞1\leq p\leq\infty, norms to measure error does not match the usual measures of performance of classification algorithms, where the main criteria is probability or expectation of misclassification, see (?). This is an important distinction that we unfortunately will not address because of a lack of definitive results. It may be that this distinction is in fact behind the success of NNs in the learning environment.

The results we prove can be extended to approximation in Lp(Ω)L_{p}(\Omega) for 0<p<10<p<1, but this requires some technical effort we want to avoid. We concentrate on the three most important cases p=∞p=\infty (the case of uniform approximation), the case p=2p=2 which is prevalent in stochastic estimates, and the case p=1p=1 which monitors average error. We always take the Lp(Ω)L_{p}(\Omega) spaces with Lebesgue measure. Let us also remark that the results we derive hold equally well for general Lipschitz domains taken in place of Ω=d\Omega=^{d}. If we fix the value of pp, the results we seek are of the following two types.

Model class peformance: For a model class K⊂Lp(Ω)K\subset L_{p}(\Omega), we have earlier defined

Our interest is to describe the decay of this error (with estimates from above and below) as n→∞n\to\infty. There are two types of model classes KK that are of interest. The first are classical smoothness classes such as the unit ball of a Lipschitz, Hölder Sobolev, or Besov spaces, see §4. In this way, we can compare the approximation properties of NNs with more standard methods of approximation and see whether NNs offer better performance on these classical model classes.

A second type of results of interest is to uncover new model classes KK for which NNs perform well and classical methods of approximation do not. Such new model classes would help clarify exactly when NN approximation is beneficial. Motivation for these new model classes should come from the intended application of NN approximation. Such results might explain why NNs perform well in these applications.

Characterization of Approximation Classes: A second category of results that is of interest would be to understand the approximation classes Ar(Σ,Lp(Ω)){\cal A}^{r}(\Sigma,L_{p}(\Omega)) for NN approximation. Recall that these classes, see §5.10 for their definition, consist of all functions ff whose approximation error satisfies

with the smallest MM defining ∥f∥Ar\|f\|_{{\cal A}^{r}}.

We would like to know which functions are in Ar{\cal A}^{r}. While a precise characterization of these classes is beyond our current understanding of NN approximation, the results that follow give sufficient conditions for a function ff to be in such a class. In contrast, for many types of classical approximation, both linear and nonlinear, there are characterizations of their corresponding approximation classes. Such characterizations require what are called inverse theorems in approximation theory. An inverse theorem is a statement that whenever f∈Arf\in{\cal A}^{r}, we can prove that ff is in a certain Banach space YrY_{r}.

Consider, for example, the case of approximation in Lp(Ω)L_{p}(\Omega). An inverse theorem is proved by showing an inequality of the form

For example, if we consider approximation by trigonometric polynomials of degree nn in one variable, in the metric Lp([−π,π])L_{p}([-\pi,\pi]), one inequality of this type is the famous Bernstein inequality for trigonometric polynomials

which holds for any trigonometric polynomial of degree nn. So r=1r=1 in this example, and Y1=W1(Lp([−π,π]))Y_{1}=W^{1}(L_{p}([-\pi,\pi])).

Such inverse theorems are not known for NN approximation save for the case of Σ=(Υn,1(σ;1,1))n≥0\Sigma=(\Upsilon^{n,1}(\sigma;1,1))_{n\geq 0} for certain activation functions σ\sigma, including ReLU. Thus, there is quite a large gap in our understanding of NN approximation as compared to these more classical methods. It is of major interest to establish inverse inequalities for the elements in Σn\Sigma_{n} when Σn\Sigma_{n} is a set of outputs of a NN.

Approximation using single layer ReLU networks

We have discussed in §3.2.1 the structure of Σn\Sigma_{n}. Each function S∈ΣnS\in\Sigma_{n} is a CPwL function in dd variables x=(x1,…,xd)x=(x_{1},\dots,x_{d}) of the form

In spite of the simplicity of the representation (82), the set Σn\Sigma_{n} is quite complicated save for the case d=1d=1, see §3.1.1. First of all, the possible partitions P{\cal P} that arise from hyperplane arrangements are complex in the sense that the cells are not isotropic, the number of cells can be quite large, and there is not a simple characterization of these partitions. This is compounded by the fact that, as we have previously discussed, not every CPwL function subordinate to a partition given by an arrangement of nn hyperplanes is in Σn\Sigma_{n}. For example, this set does not contain any compactly supported functions. This is in contrast to the typical applications of CPwL functions in numerical PDEs. Thus, Σn\Sigma_{n} is a complex, but possibly rich nonlinear family. We shall see that this complexity inhibits our understanding of its approximation properties.

Keeping in mind the discussion in the previous section, there are three types of results that we would like to prove in order to understand the approximation power of Σ:=(Σn)n≥0\Sigma:=(\Sigma_{n})_{n\geq 0}, measured in the ∥⋅∥Lp(Ω)\|\cdot\|_{L_{p}(\Omega)} norm, 1≤p≤∞1\leq p\leq\infty. Problem 3: Give matching upper and lower bounds for En(K,Σ)Lp(Ω)E_{n}(K,\Sigma)_{L_{p}(\Omega)} when KK is one of the classical model classes such as unit balls of Lipschitz, Hölder, Sobolev, and Besov spaces. We shall see that, save for the case d=1d=1, this problem is far from being solved.

As we have previously stressed, the partitions generated by hyperplane arrangements are complex and not well understood, with cells that are possibly highly anisotropic. This suggests the possibility of being able to approximate functions which are not described by classical isotropic smoothness and leads us to expect new model classes that are well approximated by Σ\Sigma. Problem 4: Describe new model classes KK of functions that are guaranteed to be well approximated by Σ\Sigma. Some advances on Problem 4 have been made, centering on the so-called Barron classes that we discuss in §7.2.3.

Finally, the most ambitious approximation problem for Σ=(Σn)n≥0\Sigma=(\Sigma_{n})_{n\geq 0} is the following. Problem 5: For each r>0r>0 and 1≤p≤∞1\leq p\leq\infty, characterize the approximation class Ar(Σ,Lp(Ω)){\cal A}^{r}(\Sigma,L_{p}(\Omega)) consisting of all functions f∈Lp(Ω)f\in L_{p}(\Omega) for which

Nothing is known on this last problem when d>1d>1, and we are skeptical that any definitive result is around the corner for the case of general dd.

In order to orient us to the type of results we might strive to obtain on these problems for general dd, we begin in the next section by discussing the case d=1d=1, where we have the most extensive results and the best understanding of approximation from these spaces.

Here, we measure approximation error in Lp(Ω)L_{p}(\Omega) with 1≤p≤∞1\leq p\leq\infty and domain Ω=\Omega=. The classical model classes for Lp(Ω)L_{p}(\Omega) are finite balls in the Lipschitz, Hölder, Sobolev, and Besov spaces. The latter spaces are the most flexible for measuring smoothness and the approximation properties, for all of the other smoothness classes can be derived from them. So, we restrict our discussion to the model classes K=U(Bqs(Lτ(Ω)))K=U(B_{q}^{s}(L_{\tau}(\Omega))), 0<q,τ≤∞0<q,\tau\leq\infty, which have smoothness of order s>0s>0. These spaces were introduced and discussed in §4.3, where we have noted that these spaces are compactly embedded in Lp(Ω)L_{p}(\Omega) when s>1/τ−1/ps>1/\tau-1/p, i.e., when these spaces lie above the Sobolev embedding line, see Figure 4. They are not embedded in Lp(Ω)L_{p}(\Omega) if they lie below the embedding line.

The following theorem summarizes the results known about approximating Besov classes in the case d=1d=1.

Let K=U(Bqs(Lτ(Ω)))K=U(B^{s}_{q}(L_{\tau}(\Omega))) be the unit ball of the Besov space Bqs(Lτ(Ω))B^{s}_{q}(L_{\tau}(\Omega)). If 0<s≤20<s\leq 2 and this space lies above the Sobolev embedding line for Lp(Ω)L_{p}(\Omega) then

Let us elaborate a little on what this theorem is saying. First, note that the sets KK for which we obtain the approximation rate O((n+1)−s){\cal O}((n+1)^{-s}) allow the smoothness describing KK to be measured in Lτ(Ω)L_{\tau}(\Omega), where τ≠p\tau\neq p. When τ≥p\tau\geq p, the result does not need to exploit the nonlinearity of Σn\Sigma_{n} in the sense that the approximation rate can be obtained already by using linear spaces corresponding to fixing the breakpoints in Σn\Sigma_{n} to be equally spaced on $.Itisonlywhen. It is only when\tau

A couple of simple examples may be in order. Consider approximation in C(Ω)C(\Omega) and smoothness of order s=1s=1. Obviously, the space Lip 1 is compactly embedded in C(Ω)C(\Omega) and the approximation rate is O((n+1)−1){\cal O}((n+1)^{-1}), n→∞n\to\infty, when K=U(Lip1)K=U({\rm Lip}1). Note that Lip 11 is not a Besov space but is continuously embedded in B∞1(L∞(Ω))B_{\infty}^{1}(L_{\infty}(\Omega)) and the latter space is covered by the theorem. Hence Lip 11 also is. We can obtain the approximation rate O((n+1)−1){\cal O}((n+1)^{-1}) by taking the breakpoints equally spaced and thereby using a linear subspace of Σn\Sigma_{n}. The Sobolev space W1(L1(Ω))W^{1}(L_{1}(\Omega)) is also contained in C(Ω)C(\Omega), but not compactly. Nevertheless, its unit ball has the approximation rate O((n+1)−1){\cal O}((n+1)^{-1}). The Sobolev spaces W1(Lp(Ω))W^{1}(L_{p}(\Omega)), p>1p>1, have unit balls that are compact in C(Ω)C(\Omega) and the theorem gives that they also have the approximation rate O((n+1)−1){\cal O}((n+1)^{-1}), n→∞n\to\infty. Recall that for ff to be in Lip 1 requires that it has bounded derivative ∥f′∥L∞(Ω)<∞\|f^{\prime}\|_{L_{\infty}(\Omega)}<\infty, while f∈W1(Lp(Ω))f\in W^{1}(L_{p}(\Omega)) only requires f′∈Lp(Ω)f^{\prime}\in L_{p}(\Omega). For example, the function f(t)=tαf(t)=t^{\alpha}, 0<α<10<\alpha<1, is in W1(Lp(Ω))W^{1}(L_{p}(\Omega)) if p>1p>1 is small enough, but this function is not in Lip 1. The way one gets good approximation of tαt^{\alpha} by Σn\Sigma_{n} is to put half of the breakpoints of the output S∈ΣnS\in\Sigma_{n} near and the remaining half equally spaced in Ω\Omega. Thus, for these Sobolev spaces one truly needs the nonlinearity of Σn\Sigma_{n}. To achieve the optimal approximation rate, we need to choose the breakpoints to depend on ff, and thus we cannot choose them in advance.

Finally, let us remark why we have the restriction s≤2s\leq 2. We are approximating locally by linear functions. A function ff with smoothness of order s>2s>2 would need to use locally polynomials of degree higher than one to improve its local error of approximation (think of Taylor expansions). Hence, when ff has smoothness of order s>2s>2, we do not improve on the rate O((n+1)−2){\cal O}((n+1)^{-2}), n→∞n\to\infty, which we already have for functions with smoothness of order 22.

1.2 Approximation classes for d=1𝑑1d=1

One of the crowning achievements of nonlinear approximation at the end of the last century was the characterization of the approximation classes for several classical methods of nonlinear approximation, including free-knot spline, nn-term wavelet, and adaptive piecewise polynomial approximation. The key to establishing these results was not only to give upper bounds for the error in approximating functions from Besov spaces but also to prove certain inverse theorems that say if a function ff can be approximated with a certain rate O((n+1)−r){\cal O}((n+1)^{-r}), n→∞n\to\infty, then ff must possess a certain Besov smoothness. These inverse theorems should not be underestimated since they allow precise characterization of approximation classes.

In the case of approximation using CPwL functions, the inverse theorems were provided by the seminal theorems of Pencho Petrushev, see (?). The approximation space Ar=Ar(Σ,Lp(Ω)){\cal A}^{r}={\cal A}^{r}(\Sigma,L_{p}(\Omega)) is precisely characterized, provided 0<r<20<r<2 and 1≤p≤∞1\leq p\leq\infty, with C(Ω)C(\Omega) used in place of L∞(Ω)L_{\infty}(\Omega) when p=∞p=\infty. In this case, Ar{\cal A}^{r} is a certain interpolation space, see (?). Since we do not want to go too deeply into interpolation space theory here, we simply mention that Ar{\cal A}^{r} is sandwiched between two Besov spaces of smoothness order rr. More precisely, if 0<r<20<r<2, and 1≤p≤∞1\leq p\leq\infty are fixed, and τ∗:=(r+1/p)−1\tau^{*}:=(r+1/p)^{-1}, then for all 0<q≤∞0<q\leq\infty, we have

Since this result may be difficult to digest at first glance, we make some comments to explain what these embeddings say. First, recall the relation of Besov spaces to the Sobolev embedding line, see Figure 4. For a fixed value of rr, all spaces Bqr(Lτ(Ω))B_{q}^{r}(L_{\tau}(\Omega)) appearing on the left side of the embedding (84) are compactly embedded in the space Lp(Ω)L_{p}(\Omega), where we are measuring error. The left embedding says that any function in one of these spaces is in Ar{\cal A}^{r}, and hence has approximation error decaying at the rate O((n+1)−r){\cal O}((n+1)^{-r}). Note that these spaces get larger as we approach the embedding line. The right embedding says that we cannot allow τ\tau to be smaller than τ∗\tau^{*}; in fact if τ\tau is smaller than τ∗\tau^{*} we do not even embed into Lp(Ω)L_{p}(\Omega). Besov spaces that appear on the embedding line itself may or may not be compactly embedded in Lp(Ω)L_{p}(\Omega), depending on qq. They are compactly embedded if qq is small enough.

2 Results for d≥2𝑑2d\geq 2

For approximation in X=L2(Ω)X=L_{2}(\Omega), it is known that when f∈Ws(L2(Ω))f\in W^{s}(L_{2}(\Omega)), we have

provided s≤2+(d−1)/2s\leq 2+(d-1)/2. The case d=2d=2 is given in (?), and the general case is considered in (?).

If we wish to characterize the approximation performance of Σ\Sigma on the model class K:=U(Ws(L2(Ω∗))K:=U(W^{s}(L_{2}(\Omega^{*})), then we would need to establish lower bounds for the approximation error En(K)L2(Ω∗)E_{n}(K)_{L_{2}(\Omega^{*})} that match those of (85). Such bounds are plausible but seem not to be known. However, there are lower bounds for approximating KK by general ridge functions given in (?), which give for our setting and d≥2d\geq 2, the lower bound

While the results given above are less than satisfactory, because of the lack of matching upper and lower bounds, the situation becomes even worse when we seek results that show the benefits of the nonlinear structure of the sets Σn\Sigma_{n}, n≥1n\geq 1. As we know from the case d=1d=1, nonlinear methods of approximation should allow smoothness to be measured in the weaker Lτ(Ω)L_{\tau}(\Omega) norms while retaining the same approximation order. Namely, the question is what are the approximation rates when KK is the unit ball of a Besov space Bqs(Lτ(Ω))B_{q}^{s}(L_{\tau}(\Omega)) that is above the Sobolev embedding line for L2(Ω)L_{2}(\Omega). In contrast to the case d=1d=1, we do not know results that quantify the performance of Σ\Sigma, for the Besov spaces that compactly embed into L2L_{2}.

When we consider approximation in Lp(Ω)L_{p}(\Omega), p≠2p\neq 2, we are only aware of results for p=∞p=\infty given in (?). These are only stated for the unit ball KK of Lip 1 with approximation error measured in the norm of C(Ω)C(\Omega), and take the form

In other words, modulo logarithms, the approximation rate of KK is n−1/dn^{-1/d}. It is of interest to remove these log terms.

We can derive bounds on the approximation rates for the model classes Kα:=U(Lip α)K_{\alpha}:=U({\rm Lip}\ \alpha), 0<α<10<\alpha<1, from the known Lip 1{\rm Lip}\ 1 bound by using interpolation theory, see Extend 1 in §4.4, which gives the bound

One expects that these results also extend to error estimates for approximation by Σn\Sigma_{n} of the unit balls of the smoothness spaces Bqs(L∞(Ω))B^{s}_{q}(L_{\infty}(\Omega)) for some range of ss larger than one. However, these do not seem to be found in the literature. Equally missing are results for approximation in Lp(Ω)L_{p}(\Omega) when p≠2,∞p\neq 2,\infty. Moreover, none of the known results reflect the expected gain from the fact that Σ\Sigma is a nonlinear method of approximation.

2.3 Novel model classes for single layer approximation

As we have noted earlier, there is much interest in identifying new model classes for which NN approximation is particularly effective. One celebrated model class of this type was introduced by Andrew Barron in (?). This model class and its corresponding approximation results are nicely explained in the exposition (?). The most recent results on NN appproximation of this class of functions can be found in (?) and (?). We limit ourselves to describing how these model classes fit into the themes of this article.

Notice that (86) imposes additional conditions over just requiring that ff is square integrable. Namely, (86) requires the decay of f^(ω)\hat{f}(\omega) as the frequency ω\omega gets large. It is easy to check that this is equivalent to requiring that ff has a gradient (in the weak sense) whose Fourier transform is in L1L_{1}.

Barron initially showed that for any sigmoidal activation function σ\sigma the approximation family Σ:=(Υn,1(σ;d,1))n≥1\Sigma:=(\Upsilon^{n,1}(\sigma;d,1))_{n\geq 1} approximates the model class KK in the norm of L2(Ω)L_{2}(\Omega) with the following accuracy

Barron’s result has spirited a lot of generalizations and applications, and even the introduction of new Banach spaces, see (?). Important generalizations of (87) were given in (?), where it was shown that the above result for the class KΩK_{\Omega} holds for approximation in LqL_{q}, 1≤q<∞1\leq q<\infty, and moreover, the rate of approximation can be improved to O(n−1/2−1/(q∗d)){\cal O}(n^{-1/2-1/(q^{*}d)}), where q∗q^{*} is smallest even integer ≥q\geq q. Further improvements on approximation rates for Barron classes and their generalizations have been given through the years. We refer the reader to (?) for the latest information.

We will not dig too deeply into the known approximation rates for Barron classes and their generalizations here. Rather, we confine ourselves to some comments to properly frame these results in the context of nonlinear approximation. Let HH be a Hilbert space. We say that a collection D:={ϕ}{\cal D}:=\{\phi\} of functions from HH is a dictionary if each ϕ\phi has norm one and whenever ϕ∈D\phi\in{\cal D}, then so is −ϕ-\phi. Given such a dictionary D{\cal D}, we consider the closed convex hull co(D){\rm co}({\cal D}) of D{\cal D}. A fundamental result in approximation theory is that whenever f∈co(D)f\in{\rm co}({\cal D}), then there exists g=∑k=1nckϕkg=\sum_{k=1}^{n}c_{k}\phi_{k} with the ϕk∈D\phi_{k}\in{\cal D}, such that

There is a constructive method to find such a gg, known as the orthogonal greedy algorithm, see (?).

Notice that neither the constant CΩC_{\Omega} nor the form of the decay n−1/2n^{-1/2} in (87) depend on dd. This should be compared with approximation for Sobolev classes where the rates decrease and the constant explodes in size. However, this must be viewed in the light that the condition for membership in KK gets much stronger as dd gets large. This class is analogous to requiring that ff have a Fourier series (in dd variables) whose coefficients are absolutely summable. Another important point is that the proof of (87) exploits nonlinear approximation since the nn terms from the dictionary D{\cal D} used to approximate ff are chosen to depend on ff.

Approximation using deep ReLU networks

When error is measured in an LpL_{p} norm, 1≤p≤∞1\leq p\leq\infty, deep NNs approximate functions in the classical model classes (such as Lipschitz, Hölder, Sobolev and Besov classes) at least as well as all of the known methods of nonlinear approximation, see §8.6.

For all classical model classes, deep NN approximation gives error rates dramatically better than all other standard methods of nonlinear approximation, see §8.7.

There are novel model classes, built on the ideas of self similarity, where NNs provide approximation rates not available by standard approximation methods, see §8.10.

In this section, we describe what is perhaps the most common method of obtaining estimates for deep NN approximation. It is based on two principles. The first is to show that the target function has a decomposition in terms of fundamental building blocks with a control on the coefficients in the decomposition. These building blocks could be wavelets or some of their mathematical cousins, such as shearlets or ridgelets, or they could be global representations such as power series or Fourier decompositions. For functions ff in classical smoothness spaces, we often know the existence of such decompositions with quantifiable bounds on the coefficients of ff. The second step is then to show that each of these building blocks can be captured very efficiently (usually with exponential accuracy) by deep networks.

These two principles can then be put together in order to give quantifiable performance for approximation using deep NNs. This technique appears often in the literature. A partial list of prominent papers using this method are (?), (?), (?), (?), (?), (?), (?), (?), (?), (?).

We formalize the above mentioned procedure by considering any Banach space XX and representing f∈Xf\in X as f=∑k≥1αkgkf=\sum_{k\geq 1}\alpha_{k}g_{k}, where the αk\alpha_{k}’s are scalars, gk∈Xg_{k}\in X, and ∥gk∥X=1\|g_{k}\|_{X}=1. Then, we can bound the error in approximating ff by its partial sum by

The bound (89) is quite crude and can be improved in many ways. For example, we can give a better control on depth needed, when each gkg_{k} is a composition of the same univariate function TT. We shall use this fact in what follows and so we formulate it in the following proposition.

Proof: Let N{\cal N} be a neural network with width W0−1W_{0}-1 and depth L0L_{0}, with input and output dimension one, whose output function is TT. We concatenate N{\cal N} with itself (m−1)(m-1) times to obtain the network N∗{\cal N}^{*} of width W0W_{0} and depth mL0mL_{0}. Note that the kL0kL_{0}-th layer of N∗{\cal N}^{*} can output T∘kT^{\circ k}. We add one collation channel to N∗{\cal N}^{*}, whose nodes pass value zero until layer (L0+1)(L_{0}+1), where its node collects α1T\alpha_{1}T. This value is then passed forward until layer 2L0+12L_{0}+1, where α2T∘2\alpha_{2}T^{\circ 2} is added, so that α1T+α2T∘2\alpha_{1}T+\alpha_{2}T^{\circ 2} is now held in the node of this channel for layers, 2L0+1,…3L02L_{0}+1,\dots 3L_{0}. We continue in this way. Then, we output SS from the mL0mL_{0}-th layer. □\Box

In deriving an estimate like (89), it is not necessary to assume that the functions gk∈Σng_{k}\in\Sigma_{n}, k=1,…,nk=1,\ldots,n, but merely that the gkg_{k}’s are approximated sufficiently well by Σn\Sigma_{n}, as we see in the next proposition.

Proof: The error estimate (90) follows from the fact that

The network that outputs S^\hat{S} is obtained the same way as described above.

In this section, we shall use the following theorem.

Proof: Let N0{\cal N}_{0} be the network which outputs φ\varphi, and let us denote by A∗A^{*} the W0×dW_{0}\times d matrix of input weights of N0{\cal N}_{0}, and by b∗b^{*} the biases of its first layer.

We build a special network N{\cal N} with width W=d+1+W0W=d+1+W_{0} and depth L=nL0L=nL_{0} to output SS. Its first dd channels are source channels to push forward x1,…,xdx_{1},\dots,x_{d}. The next W0W_{0} channels will be the channels of N0{\cal N}_{0}, and the final channel will be a collation channel to form the sum defining SS.

The network N{\cal N} consists of nn copies of N0{\cal N}_{0} placed next to each other. We feed the source channels to the jthj^{th} copy of N0{\cal N}_{0}, j=1,…,nj=1,\ldots,n. For this copy we use input matrix A∗AjA^{*}A_{j} and bias (b∗+A∗bj)(b^{*}+A^{*}b_{j}) for its first layer. The nodes of the collation channel forward zeroes up to layer L0+1L_{0}+1, where the output c1φ(A1x+b1)c_{1}\varphi(A_{1}x+b_{1}) of the first copy of N0{\cal N}_{0} is entered and then forwarded. The output of the jthj^{th} copy is multiplied by cjc_{j} through modification of the output weights of N0{\cal N}_{0}, and forwarded to the (jL0+1)st(jL_{0}+1)^{st} node of the collation channel if j<nj<n, where it is added to the current sum in that channel and then the result is forwarded. When j=nj=n the output of the nn-th copy is outputted together with the content of the collation channel to produce SS. □\Box

2 Approximation of products

We turn next to showing how to approximate certain simple building blocks with exponential accuracy using deep ReLU networks. These building blocks include monomials, polynomials, tensor products, and B-splines. An important tool in establishing such results is to show how one can approximate products of functions, which is our next item of interest.

Let HH be the hat function introduced in (16). We begin with the well known formula It is not clear who was the first to observe this formula, but it appears already in (?).

Let us note that we can also represent SnS_{n} by

These two representations of SnS_{n} show that

We now prove the following univariate result.

Since S(t)−Sn(t)=−∑k=n+1∞4−kH∘k(t)S(t)-S_{n}(t)=-\sum_{k=n+1}^{\infty}4^{-k}H^{\circ k}(t), the bound (95) follows from

whereas (96) follows from the fact that each H∘kH^{\circ k} has Lipschitz norm 2k2^{k}. □\Box

Let us mention that there are many functions other than t2t^{2} for which explicit formulas like (92) hold. These will be discussed in §8.10. For now, we want to examine how we can capture higher order monomials from the above results. First, we begin by showing how we can implement multiplication using deep ReLU networks. We start with the simple formula

We can construct a neural network with input dimension 22 which outputs the function Π(⋅,⋅)\Pi(\cdot,\cdot) with high accuracy.

For n≥1n\geq 1, we define for x1,x2∈x_{1},x_{2}\in the function

and prove the following properties of Πn\Pi_{n}.

For each n≥1n\geq 1, Πn(x1,x2)∈\Pi_{n}(x_{1},x_{2})\in for (x1,x2)∈2(x_{1},x_{2})\in^{2}.

Proof: First, we show that Πn(x1,x2)≤1\Pi_{n}(x_{1},x_{2})\leq 1 for (x1,x2)∈2(x_{1},x_{2})\in^{2}. Indeed, this follows from (94) since for (x1,x2)∈2(x_{1},x_{2})\in^{2},

To show that Πn≥0\Pi_{n}\geq 0, we start with

Since ζ\zeta is subadditive, i.e., ζ(t+t′)≤ζ(t)+ζ(t′)\zeta(t+t^{\prime})\leq\zeta(t)+\zeta(t^{\prime}), we have

We now replace each term H∘k(x1+x22)H^{\circ k}\left(\frac{x_{1}+x_{2}}{2}\right) appearing in (100) by the right side of (101). The result is a telescoping sum. Since H(t/2)=tH(t/2)=t, t∈t\in this telescoping sum gives

Next, we observe that Πn\Pi_{n} approximates Π\Pi with exponential accuracy.

Proof: Let N{\cal N} be the network of width W=4W=4 and depth nn which outputs SnS_{n}, see Proposition 8.4. We now construct a network N′{\cal N}^{\prime} which inputs (x1,x2)(x_{1},x_{2}) and outputs Πn\Pi_{n}. First, we add a source channel to N{\cal N} to push forward x2x_{2} (N{\cal N} already has a source channel to push x1x_{1}). Then, we place 3 copies of this extended network next to each other. We output the three terms from (98) in the collation channel of N{\cal N}, and produce Πn(x1,x2)\Pi_{n}(x_{1},x_{2}). The new network has width W=5W=5 and depth L=3nL=3n. From (95), we have ∥Π−Πn∥C(2)≤4−n\|\Pi-\Pi_{n}\|_{C(^{2})}\leq 4^{-n}.

Finally, we check (102) for i=1i=1. The case i=2i=2 is the same. We have ∂1Π(x1,x2)=x2\partial_{1}\Pi(x_{1},x_{2})=x_{2}, and modulo a set of measure zero,

where ∣ε1∣,∣ε2∣≤2−n|\varepsilon_{1}|,|\varepsilon_{2}|\leq 2^{-n} because of (96). The proof is completed. □\Box

In general, we can approximate any product

up to exponential accuracy, using outputs of ReLU neural networks. We write

denote Πn2:=Πn\Pi_{n}^{2}:=\Pi_{n}, see (99), and recursively define

It follows by induction, using Proposition 8.5, that Πk(x1,…,xk)∈\Pi^{k}(x_{1},\ldots,x_{k})\in, and therefore Πk+1\Pi^{k+1} is well defined. Then, the following theorem holds.

In particular, Ck≤ekC_{k}\leq ek, as long as n≥1+log⁡2kn\geq 1+\log_{2}k.

Proof: For k≥3k\geq 3, we construct a network of width (k+2)(k+2) which takes the inputs x1,…,xk−1x_{1},\dots,x_{k-1} and outputs Πnk−1\Pi^{k-1}_{n} (when k=3k=3, this is the network for Πn2\Pi_{n}^{2}). Its first 3n(k−2)3n(k-2) layers are the same as the network that inputs x1,…,xk−1x_{1},\dots,x_{k-1} and outputs Πnk−1\Pi_{n}^{k-1}, except that we add an additional channel to push forward xkx_{k}. We then follow this with the network for Πn2\Pi_{n}^{2} using as inputs xkx_{k} and Πnk−1(x1,…,xk−1)\Pi^{k-1}_{n}(x_{1},\dots,x_{k-1}). This network will have width W=k+3W=k+3 and depth L=3(k−1)nL=3(k-1)n as desired.

Next, we fix nn and prove (103) by induction on kk. The case k=2k=2 is covered by Proposition 8.6 with C2=1C_{2}=1. To advance the induction hypothesis, we assume that we have proven the result for some (k−1)(k-1) with constant Ck−1C_{k-1}, We write (with the obvious abbreviation of notation)

We now use (102), to conclude that ∥∂2Πn∥L∞((2)≤1+2⋅2−n\|\partial_{2}\Pi_{n}\|_{L_{\infty}((^{2})}\leq 1+2\cdot 2^{-n}. Inserting this into (104) gives

The recurrence formula Ck=1+αnCk−1C_{k}=1+\alpha_{n}C_{k-1}, k≥3k\geq 3, with initial value C2=1C_{2}=1, has the solution

This completes the proof of the theorem. □\Box

3 Approximation of polynomials

Note that here we can keep the width of the network bounded by 3+d3+d rather than 3+m3+m because the x1,…,xdx_{1},\dots,x_{d} are repeated; we leave the details to the reader.

obtained from (105). There are several savings that can be made in the size of the network in such constructions by balancing the size of cνc_{\nu} with the size of the networks for the SνS_{\nu} when given a desired target accuracy.

Constructions of NN approximations to polynomial sums have been employed to prove results on approximating real analytic functions using deep ReLU networks. We do not formulate those results here but rather refer the reader to the papers (?) and (?) for statements and proofs.

4 Approximation of tensor products

Tensor structures are a very effective method for approximation in high dimensions. It is beyond the scope of this article to lay this subject out in its full detail. We simply wish to point out here that a rank one tensor product

is well approximated in C(Ω)C(\Omega), Ω=d\Omega=^{d}, whenever the univariate components fjf_{j} are well approximated. The starting point for this is the following simple proposition.

We make two remarks on the above proposition:

If 0≤gj(t)≤M0\leq g_{j}(t)\leq M instead of 0≤gj(t)≤10\leq g_{j}(t)\leq 1, then by using Remark 8.1, we obtain an SS in the same ReLU space but the accuracy of approximation is now lessened by the factor MdM^{d}.

If the gjg_{j}’s are not in the designated ReLU space, but are rather only approximated by g^j:→\hat{g}_{j}:\to, j=1,…,dj=1,\dots,d, from the designated ReLU space to an accuracy ε\varepsilon, then the function S:=Πnd(g^1,…,g^d)S:=\Pi_{n}^{d}(\hat{g}_{1},\dots,\hat{g}_{d}) is in the designated ReLU space and we can write

where the first term does not exceed the sum of the dd errors

5 Approximation of B-splines

In our presentation of classical smoothness classes KK of functions given in §4, we have stressed that the elements in KK have certain atomic decompositions and their membership in KK is characterized by the decay of their coefficients in such representations. Thus, if we can show that the atoms in such a decomposition are well approximated by NNs, then we can obtain bounds for NN approximation of KK. The aim of the present section is to show how this unfolds when we choose B-splines as the atomic representation system.

with the constant C′(r,d)C^{\prime}(r,d) depending only on rr and dd. Moreover, the support of N^\hat{N} is contained in that of NN.

Proof: This is proved by approximating in succession the functions

where NrN_{r} is the univariate B-spline. Our results of the previous sections on approximating products were stated for approximation on d^{d} and now we want approximation on [0,r]d[0,r]^{d}. This is done by using Remark 8.1 and changes the estimates by a constant depending only on rr and dd. We assume such changes without further elaboration in what follows. All constants CC appearing in the proof depend at most on rr and dd.

6 Approximation of Besov classes with deep ReLU networks

With the results of the previous section on B-spline approximation in hand, we can now show that deep neural networks are at least as effective as standard nonlinear methods (modulo logarthms), such as adaptive FEMs or nn-term wavelets, when approximating the classical smoothness spaces (Sobolev and Besov). The ideas used in the presentation below are put forward in the references (?), (?), (?).

Let s>0s>0 and Ω=d\Omega=^{d}. Suppose K=U(Bqs(Lτ(Ω)))K=U(B_{q}^{s}(L_{\tau}(\Omega))), 0<q,τ≤∞0<q,\tau\leq\infty, is the unit ball of a Besov space lying above the Sobolev embedding line for Lp(Ω)L_{p}(\Omega) with 1≤p≤∞1\leq p\leq\infty, that is

Proof: We only treat the case 1≤p<∞1\leq p<\infty and leave to the reader to make the necessary changes for p=∞p=\infty. We fix pp and s>0s>0. We can assume q=∞q=\infty since this is the largest unit ball for the given τ\tau, and τ<p\tau<p. We can further assume that δ>0\delta>0 is arbitrarily small since the Besov spaces of order ss get larger as we approach the Sobolev embedding line which corresponds to δ=0\delta=0.

To prove the theorem, it is sufficient to prove that it holds for n=2Ln=2^{L} with LL a sufficiently large positive integer. We take r=⌈s⌉+1r=\lceil s\rceil+1 and let NN denote the multivariate tensor product B-spline of order rr. We recall the notation D{\cal D} for dyadic cubes, D(Ω){\cal D}(\Omega) for dyadic cubes I∈DI\in{\cal D} such that NIN_{I} is nonzero on Ω\Omega, Dk(Ω){\cal D}_{k}(\Omega) for these cubes at dyadic level kk (they have measure 2−kd2^{-kd}), and D+(Ω):=∪k≥0Dk(Ω){\cal D}_{+}(\Omega):=\cup_{k\geq 0}{\cal D}_{k}(\Omega).

From (57) and (58), we know that any f∈Kf\in K has the representation

and estimate its cardinality from (119). We derive that

It follows from (121) that if Λ(j,k)≠∅\Lambda(j,k)\neq\emptyset, then 2−jτ≤2k(d−sτ)2^{-j\tau}\leq 2^{k(d-s\tau)}, and therefore

We will now replace some of the NIN_{I}’s from (118) by approximants N^I\hat{N}_{I} from Σm(I)\Sigma_{m(I)}, where the nonnegative integers m(I):=m(j,k)∈{1,2,…}m(I):=m(j,k)\in\{1,2,\ldots\} will be chosen the same for each I∈Λ(j,k)I\in\Lambda(j,k) (as we shall see below). The NIN_{I}’s that are not approximated are associated with m(I)=0m(I)=0.

where here and later in this proof all constants CC depend only on s,ds,d and δ\delta. According to Proposition 8.9, we can also assume that N^I\hat{N}_{I} is zero outside the support of NIN_{I}.

and proceed to show that S^\hat{S} provides the needed approximation if we choose m(I)m(I) appropriately.

In preparation for the choice of the m(I)m(I), we first estimate how well S^\hat{S} approximates ff. If we denote by Sk:=∑I∈Dk(Ω)cI(f)NIS_{k}:=\sum_{I\in{\cal D}_{k}(\Omega)}c_{I}(f)N_{I}, k≥0k\geq 0, using (124) and the fact that ∥NI∥Lp(Ω)≤C∣I∣1/p\|N_{I}\|_{L_{p}(\Omega)}\leq C|I|^{1/p}, we obtain,

For the definition of m(j,k)m(j,k), let us introduce the notation

For every j≥Jkj\geq J_{k}, k≥0k\geq 0, we choose m(j,k)m(j,k) to be the smallest non-negative integer such that

where we used (121) for the last inequality. It then follows from (118) that

The index in the second sum in (128) has upper bound Jk+J_{k}^{+}, where Jk+J_{k}^{+} is defined by the equation

because m(j,k)=0m(j,k)=0 when j≥Jk+j\geq J_{k}^{+}, see (127). Later, we shall use the fact that

For j∈[Jk,Jk+]j\in[J_{k},J_{k}^{+}], m(j,k)m(j,k) takes its maximum value at j=Jkj=J_{k} which is

where we used the definition of JkJ_{k} and (127). Therefore, we have the estimate

where in the first sum we used the fact that

because Λ(j,k)⊂Dk(Ω)\Lambda(j,k)\subset{\cal D}_{k}(\Omega), and the second sum used that

Obviously, the first sum on the right does not exceed CL2LCL2^{L}, and so we concentrate on the second sum. We first want to see what the exponent is in that sum. From (130), we have

We substitute the latter relation into (131) and obtain, after change of index i=k−L/di=k-L/d and using (130),

This gives the bound we want and proves the theorem. □\Box

Before proceeding on, we make the following remarks concerning the above theorem and its proof.

7 Super convergence for deep ReLU networks

In this section, we present some very intriguing results on approximation by NNs that show quite unexpected rates of approximation for certain classical model classes KK described by smoothness. The initial results were given in (?) for the model classes U(Lip α)U({\rm Lip}\ \alpha), 0<α≤10<\alpha\leq 1 on Ω=d\Omega=^{d}, and were later extended to more general model classes U(Cs(Ω))U(C^{s}(\Omega)), s>0s>0, in (?). Our aim in this section is to show how these super rates are established in the simple case of univariate functions in Lip 1, and leave the reader to consult the above references for the treatment for functions of dd variables and higher smoothness. At the end of this section, we place these results into perspective and formulate some related questions.

Proof: We use the same notation as in §3.6.3. Namely, we define N:=n2N:=n^{2},with n≥4n\geq 4 an even positive integer and set ti:=i/Nt_{i}:=i/N, 0≤i≤N0\leq i\leq N, and ξj:=j/n\xi_{j}:=j/n, j=0,…,nj=0,\dots,n. Given f∈Kf\in K, as a first step, we take S0S_{0} to be the CPwL function with breakpoints precisely the ξj\xi_{j}’s, j=1,…,n−1j=1,\dots,n-1, which interpolates ff at the ξj\xi_{j}, j=0,…,nj=0,\dots,n. Then, S0S_{0} has the following three properties:

∥f−S0∥C(Ω)≤1/n,n≥4\|f-S_{0}\|_{C(\Omega)}\leq 1/n,\quad n\geq 4.

∥S0∥Lip 1≤1,n≥4\|S_{0}\|_{{\rm Lip}\ 1}\leq 1,\quad n\geq 4.

Now, consider the function R:=f−S0R:=f-S_{0}. It vanishes at each of the ξj\xi_{j}, j=0,…,nj=0,\dots,n, and R∈Lip 1R\in{\rm Lip}\ 1 with ∥R∥Lip 1≤2\|R\|_{{\rm Lip}\ 1}\leq 2. We next show that there is a sequence of εi∈{−1,+1}\varepsilon_{i}\in\{-1,+1\}, i=0,…,N−1i=0,\dots,N-1, such that (yi)i=0N(y_{i})_{i=0}^{N}, defined recursively by y0:=0y_{0}:=0 and

Indeed, if t∈[ti,ti+1]t\in[t_{i},t_{i+1}], i=0,…,N−1i=0,\ldots,N-1, then S1(ti)=yiS_{1}(t_{i})=y_{i}, and we have

because of the Lipschitz properties of RR, the properties of S1S_{1}, and (135). This in turn would prove the theorem.

So we are left with finding a sequence (εi)i=0N−1(\varepsilon_{i})_{i=0}^{N-1} such that (135) is valid. It is enough to show how to define this sequence for i=0,…,n−1i=0,\dots,n-1 since for i=jn,…,(j+1)n−1i=jn,\dots,(j+1)n-1 it is defined similarly. We choose the sequence ε0,ε1,…\varepsilon_{0},\varepsilon_{1},\dots and the corresponding yj+1:=yj+εjy_{j+1}:=y_{j}+\varepsilon_{j} and verify (135) recursively. We first choose ε0∈{−1,1}\varepsilon_{0}\in\{-1,1\} so that 2ε0/N2\varepsilon_{0}/N is closest to R(t1)R(t_{1}) for this choice of the two possible values ±1\pm 1. Clearly, since ∣R(t1)∣≤2/N|R(t_{1})|\leq 2/N, for y1:=ε0y_{1}:=\varepsilon_{0} we have the inequality ∣R(t1)−2y1N∣≤2/N|R(t_{1})-\frac{2y_{1}}{N}|\leq 2/N. In other words, we have verified (135) for j=1j=1.

Assume now that ε0,…,εj−1\varepsilon_{0},\dots,\varepsilon_{j-1} have been chosen and the corresponding y1,…,yjy_{1},\dots,y_{j} have been shown to satisfy (135). We now choose εj\varepsilon_{j} so that 2yj+1N=2(yj+εj)N\frac{2y_{j+1}}{N}=\frac{2(y_{j}+\varepsilon_{j})}{N} is closest to R(tj+1)R(t_{j+1}). Since RR changes by at most 2/N2/N in moving from tjt_{j} to tj+1t_{j+1}, this choice will also satisfy (135). So, we are left to verify that yn=0y_{n}=0. Since nn is even, yn=ε0+…+εn−1=2my_{n}=\varepsilon_{0}+\ldots+\varepsilon_{n-1}=2m for some integer mm. In addition, we have ∣2yn/N−0∣≤2/N|2y_{n}/N-0|\leq 2/N, and therefore we must have m=0m=0. Thus, we showed the existence of a sequence (εi)i=0N−1(\varepsilon_{i})_{i=0}^{N-1} with the required properties. The proof of the theorem is completed. □\Box

In spite of the negative comments just put forward, the theorem is intriguing and brings up several questions that we now discuss. The first natural question is in what generality does this super convergence hold. We have already mentioned that Yarotsky proved it for multivariate functions of dd variables. He also proved a general result which gives that the theorem holds for Lip α\alpha spaces, 0<α≤10<\alpha\leq 1. A generalization of this theorem is provided in (?). It shows that the set K=U(Lip1)K=U({\rm Lip}1) can be replaced by the unit ball KK of Cs(Ω)C^{s}(\Omega), Ω=d\Omega=^{d}, for any s>0s>0. However, in the latter presentation there is a loss of logarithm in that the proven approximation rate is E(K,Σn)C(Ω)≤(log⁡nn)2s/dE(K,\Sigma_{n})_{C(\Omega)}\leq(\frac{\log n}{n})^{2s/d}, n≥1n\geq 1.

Next, let us remark that the results of §5.9 and Theorem 3.9 give that for the model classes K=U(Cs(Ω))K=U(C^{s}(\Omega)) we have the lower bound

So, at least for the Lipschitz spaces, we have matching upper and lower bounds, and therefore a satisfactory understanding of the approximation properties of deep NNs for these classes.

The above results were limited to approximation in C(Ω)C(\Omega), Ω=d\Omega=^{d}, and the Sobolev spaces Ws(L∞(Ω))W^{s}(L_{\infty}(\Omega)). What happens when the approximation takes place in Lp(Ω)L_{p}(\Omega), 1≤p<∞1\leq p<\infty, and what happens for general Besov spaces that compactly embed in LpL_{p}? We show in this section that we can obtain super convergence results in this case as well by using results from the theory of interpolation spaces.

for any 1≤θ<2−τ∗τ1\leq\theta<2-\frac{\tau^{\ast}}{\tau}, with τ∗:=(s/d+1/p)−1\tau^{\ast}:=(s/d+1/p)^{-1}, τ>τ∗\tau>\tau^{*}, and β\beta depending only on s,ds,d and θ\theta.

Proof: This is proved by using the K-functionals of interpolation theory. To keep the presentation simple and to just show the ideas of how this is done, we limit ourselves to proving one result of the above form when d=1d=1 and s=1s=1 with the approximation taking place in L∞L_{\infty}. Instead of Besov balls, we use the unit balls Kτ:=U(W1(Lτ(Ω)))K_{\tau}:=U(W^{1}(L_{\tau}(\Omega))), 1≤τ≤∞1\leq\tau\leq\infty of the Sobolev spaces. After presenting this example, we give in Remark 8.4 an outline of the proof of the general result stated in the theorem.

with MM an absolute constant. We take t=1/nt=1/n in going further. Now, let SS approximate (f−g)(f-g) in L∞(Ω)L_{\infty}(\Omega) with the accuracy of the first statement in (139), and let TT approximate gg with the acccuracy of the second statement. Then S+T∈Υ11,17n+1S+T\in\Upsilon^{11,17n+1} and

In this case τ∗=1\tau^{*}=1 , so this is the desired inequality. Moreover, since ∥f−(S+T)∥Lp(Ω)≤∥f−(S+T)∥L∞(Ω)\|f-(S+T)\|_{L_{p}(\Omega)}\leq\|f-(S+T)\|_{L_{\infty}(\Omega)}, we also have

We outline the changes necessary to prove the general case in the statement of the theorem. Now, we want to measure approximation error in Lp(Ω)L_{p}(\Omega), 1≤p<∞1\leq p<\infty, not just C(Ω)C(\Omega). Of course, the error of approximation in Lp(Ω)L_{p}(\Omega) of a function ff is smaller than that in C(Ω)C(\Omega). We use analogues of (139) for approximation in Lp(Ω)L_{p}(\Omega) and two Besov balls. The first is K0=U(Z0)K_{0}=U(Z_{0}), Z0=B∞s(Lτ0(Ω))Z_{0}=B^{s}_{\infty}(L_{\tau_{0}}(\Omega)) where we use Theorem 8.10 to get the approximation rate [log⁡2n]β0n−s/d[\log_{2}n]^{\beta_{0}}n^{-s/d}. Here, we can choose τ0>τ∗\tau_{0}>\tau^{*} so that we are as close to the Sobolev embedding line as we want (but not on it). The second inequality is the super convergence result for K1=U(Z1)K_{1}=U(Z_{1}), Z1=Cs(Ω)Z_{1}=C^{s}(\Omega). For this, we use the generalization of Theorem 8.11, as given in (?), which gives the super approximation rate [log⁡2n]β1n−2s/d[\log_{2}n]^{\beta_{1}}n^{-2s/d}. We now interpolate between Z0Z_{0} and Z1Z_{1} to obtain the theorem for approximation in the fixed Lp(Ω)L_{p}(\Omega) space. The reason we have the given restriction on θ\theta is because we cannot take Z0Z_{0} directly on the Sobolev embedding line. Figure 7 may be useful for the reader to understand this theorem.

9 A summary of known approximation rates for classical smoothness spaces

We want to address what we know regarding the following problem.

Problem 6: For each model class KK which is the unit ball of a Besov space Bqs(Lτ(Ω))B_{q}^{s}(L_{\tau}(\Omega)) which lies above the Sobolev embedding line for Lp(Ω)L_{p}(\Omega), determine asymptotically matching upper and lower bounds for En(K)Lp(Ω)E_{n}(K)_{L_{p}(\Omega)}, n≥1n\geq 1. Even for the most favorable case p=∞p=\infty, we only have a satisfactory answer to this question when 0<s≤10<s\leq 1, in which case the optimal rate is n−2s/dn^{-2s/d}, n≥1n\geq 1. The above results on super convergence provide the upper bounds. The lower bounds follow from the derivation of lower bounds on approximation rates using VC dimension, given in §5.9. Going further with the case p=∞p=\infty, the above results only provide a complete description of approximation rates when s≤1s\leq 1 because of the the appearance of a logarithm in the extension of Yarotsky’s results given in (?).

When we move to the case p<∞p<\infty, the situation is even less clear. First, Theorem 8.12 does give a super rate. However, we have no corresponding lower bounds that come close to matching this rate because we can not use VC dimension theory for LpL_{p} approximation. In summary, for all Besov spaces that compactly embed into Lp(Ω)L_{p}(\Omega), we obtain error bounds for approximation in Lp(Ω)L_{p}(\Omega) strictly better than classical methods. What is missing vis a vis Problem 6 is what are the best bounds and how do we prove lower bounds for approximation rates in Lp(Ω)L_{p}(\Omega), p≠∞p\neq\infty.

10 Novel model classes

While the performance of NN approximation on the classical smoothness spaces is an intriguing question that deserves a full and complete answer, we must stress the fact that such an answer will not provide an explanation for the success and popularity of NNs in their current domains of application, especially in deep learning. Indeed, the problems addressed via deep learning typically have the feature that the functions to be captured are very high dimensional, that is, the input dimension dd is very large. Since all of the classical model classes built on smoothness have large entropy and suffer the curse of dimensionality as dd gets large, they are not appropriate model classes for such learning problems. This amplifies the need to uncover new model classes that do not suffer the curse of dimensionality, that are well approximated by outputs of NNs, and are a good match for the targeted application. We must say that little is formally known in terms of rigorously defining new model classes in high dimension, showing that they have reasonable entropy bounds, and then analyzing their approximation properties by NNs. However, several ideas have emerged as to how such model classes may be defined. We mention some of those ideas here with the intention to outline a road map of how to possibly proceed with defining model classes in high dimensions.

First, let us say a few words about the curse of dimensionality. One frequently hears the claim that a certain numerical method ‘breaks the curse of dimensionality’. There are two components to such a statement. The first is that the numerical problem under study is such that it can be solved in high dimensions without suffering adversely from dimensionality. The second is that a particular numerical method has been found that actually does the job.

In the setting of numerical methods for function approximation, the first statement has to do with the model class assumption on ff, or the model class information that can be derived about ff from the context of the problem. For example, when solving a PDE numerically, the model class information is usually given by a regularity theorem for the solution to the PDE. In other words, it is the model class KK that determines whether or not the problem is solvable by a numerical method that avoids the curse of dimensionality.

Heuristically, it is thought that the crucial factor on whether or not a given model class KK suffers from the curse of dimensionality is its Kolmogorov entropy in the metric where the error is to be measured, see §5.2 for the definition of this entropy and the entropy numbers εn(K)X\varepsilon_{n}(K)_{X}. There is not always a clear cut mathematical proof that entropy is indeed the deciding factor. This lack of clarity stems from our vagueness in describing what is an allowable numerical method. This returns us back to the use of space filling manifolds in approximation. We have already noted that such manifolds have the capacity to approximate arbitrarily well. But are they a fair method of approximation? Implementing such a manifold numerically as an approximation tool requires an inordinate amount of computation. So really, the computational time to implement the numerical method is an issue. This is well known in the numerical analysis community, but seems to be not treated sufficiently well in the learning community. The latter would involve statements about how many steps of a descent algorithm are necessary to guarantee a prescribed accuracy.

We have touched on this subject in §5.6, where we have introduced stable methods of approximation. The introduction of stability was made precisely to quantify when a numerical method could be implemented within a reasonable computational budget. Under the imposition of stability in manifold approximation, we have shown that indeed the entropy of KK governs optimal approximation rates.

Regarding the second factor, the question is whether we can put forward a concrete numerical scheme which can approximate the target function with a computational budget which does not grow inordinately with the dimensionality dd. In this sense, it is not only an issue of how well we can approximate a given ff using a specific tool Σ:=(Σn)n≥1\Sigma:=(\Sigma_{n})_{n\geq 1}, but whether we can find an approximant within a reasonable computational budget.

10.2 Model classes in high dimension

With these remarks in hand, our quest is to find appropriate model classes for high dimensional functions which have reasonable entropy when dd is large and yet match intended applications. In this context, it is allowable for the entropy of the model class to grow polynomialy with dd, but not exponentially.

The search for appropriate high dimensional model classes has carried on independently of deep learning or NN approximation, since it has always been a driving issue whenever we are dealing with high dimensional approximation. We next mention some of the ideas that have emerged over the recent decades on how to possibly define high dimensional model classes and how these ideas intersect with NN approximation. Model classes built on sparsity: The idea of using sparsity to describe high dimensional model classes appeared largely in the context of signal/image processing. The simplest example is the following. Assume {ϕj}j≥1\{\phi_{j}\}_{j\geq 1}, with ∥ϕj∥X=1\|\phi_{j}\|_{X}=1, is an unconditional basis in a Banach space XX of functions of dd variables. So, every f∈Xf\in X has a unique representation

where λj\lambda_{j} are linear functionals on XX and the convergence in (143) is absolute. Here, the reader may assume that XX is an LpL_{p} space to fix ideas. The space XX defines the norm where we will measure performance (error of approximation). Given any q≤1q\leq 1, let KqK_{q} consist of all functions f∈Xf\in X such that

If one wishes to approximate functions from KqK_{q}, the most natural candidate is nn-term approximation using the basis (ϕj)j≥1(\phi_{j})_{j\geq 1}. Let Σn\Sigma_{n} be the (nonlinear) set consisting of all functions S=∑j∈ΛajϕjS=\sum_{j\in\Lambda}a_{j}\phi_{j}, #(Λ)≤n\#(\Lambda)\leq n. It is a simple exercise to show that

Note that the Besov model classes take a form similar to (144) because of their characterization by atomic decompositions using splines or wavelets, see §4.3.1. There are numerous generalizations of this notion of sparsity. For example, one can replace the unconditional basis by a more general set D{\cal D} of functions, which form a frame or a dictionary.

Even though they give approximation rates that do not depend on the number of variables dd, model classes built on sparsity are not necessarily immune to the curse of dimensionality because the basis or dictionary is infinite. To avoid this, one has to impose other conditions on the sequence of coefficients (λj(f))j≥1(\lambda_{j}(f))_{j\geq 1} that allows one to truncate the sum to a finite set of indices when seeking an nn-term approximation. This is often imposed by putting mild decay assumptions on these coefficients. The other central issue is whether the model class built on sparsity matches the intended application. That is, there should be some justification that the sparsity class is a natural assumption in the application area.

We have already seen an example of using sparsity in terms of a dictionary in discussing NN approximation when we introduced the Barron class. The Barron class appears as a natural model class when using shallow neural networks as an approximation tool. The neat thing about the Barron class is that its definition was not made in terms of a dictionary but rather classical notions such as Fourier transforms. Generalizations of Barron classes to deeper networks is given in (?). Then it was shown to be a sparsity class for a suitable dictionary of waveforms.

Model classes built on composition: Since NNs are built on the composition of functions, it is natural to try to define model classes based on such compositions. The basic idea is that the model class should consist of functions ff with the representation f=g1∘g2∘⋯∘gmf=g_{1}\circ g_{2}\circ\cdots\circ g_{m}, where gkg_{k}, k=1,…,mk=1,\dots,m, are simple component functions. This approach is studied, for example, in (?, ?, ?).

The key question in such an approach is what assumptions should be placed on the component functions. One expects to build the model class in a hierarchical fashion by showing that when g1g_{1} and g2g_{2} are well approximated then so is their composition. Let us consider for a moment the simple setting of approximating in the univariate uniform norm ∥⋅∥C(Ω)\|\cdot\|_{C(\Omega)}, Ω=\Omega=. Given g1,g2g_{1},g_{2} and approximants g^1\hat{g}_{1} and g^2\hat{g}_{2}, the simplest inequality for how well g^1∘g^2\hat{g}_{1}\circ\hat{g}_{2} approximates g1∘g2g_{1}\circ g_{2} is

which points to the observation that formulations of such model classes will probably involve mixed norms.

Model classes built on self similarity: Let us continue with the last example of the composition g1∘g2g_{1}\circ g_{2}. If g2g_{2} is a CPwL function (as is the case of outputs of ReLU NNs), then as the input variable tt traverses $,thecompositiontracesoutscaledcopiesof, the composition traces out scaled copies ofg_{1}orpartsofit.Forexample,ifor parts of it. For example, ifg_{2}isthesawtoothfunctionis the saw tooth functionH^{\circ L}ofFigure2,thenwetraceoutmultiplecopiesofof Figure 2, then we trace out multiple copies ofg_{1}.Thecompositionis,therefore,aselfsimilarfunction.ThisselfsimilarityisprevalentinoutputsofdeepNNsandhasbeenusedtoshowthatcertainfunctionssuchastheWeierstrassnowheredifferentiablefunctionarewellapproximatedbyoutputsofdeepNNs.Thereareevenclassesoffunctions,generatedbydynamicalsystems,whichareefficientlyapproximatedbyoutputsofdeepNNs.So,itisnaturaltotryandbuildmodelclassesusingselfsimilarityorfractallikestructures,andthenshowthatitsmembersarewellapproximatedbydeepNNs.Examplesofsuchunivariatefunctionclassesaregivenin(?),includingtheso−calledTagakiclass.Inhigherdimension,itisshownin(?)thatthecharacteristicfunctions. The composition is, therefore, a self similar function. This self similarity is prevalent in outputs of deep NNs and has been used to show that certain functions such as the Weierstrass nowhere differentiable function are well approximated by outputs of deep NNs. There are even classes of functions, generated by dynamical systems, which are efficiently approximated by outputs of deep NNs. So, it is natural to try and build model classes using self similarity or fractal like structures, and then show that its members are well approximated by deep NNs. Examples of such univariate function classes are given in (?), including the so-called Tagaki class. In higher dimension, it is shown in (?) that the characteristic functions\chi_{S}$ of certain fractal sets are also efficiently approximated by the outputs of deep networks. This may relate to the success of deep learning in classification problems.

Model classes built on dimension reduction: A common high dimensional model class with reasonable entropy is the set of functions with anisotropic smoothness. These functions depend non democratically on their variables, that is, certain variables are more important than others, see e.g. (?). This is a dominant theme in numerical methods for PDEs, where notions of hyperbolic smoothness classes and numerical methods built on sparse grids or tensor structures arise.

Another prominent example is a model class viewed as low dimensional manifolds in a high dimensional ambient space. Since our approximation tool is itself a parameterised manifold, these model classes seem like a good fit for NN approximation. This is related to the viewpoint that the NN output is an adaptive partition/filter design as expressed in (?).

Stable approximation

We have mentioned before that any approximation method is described by two mappings

We now wish to understand two main issues:

Stability Issue 1: How does imposing stability restrictions on the mappings ana_{n} and MnM_{n} affect the approximation rates we can obtain?

Stability Issue 2: How can we construct stable numerical algorithms for approximation?

Consider, for example, approximation in Lp(Ω)L_{p}(\Omega) with Ω=d\Omega=^{d} of the Besov balls Bqs(Lτ(Ω))B_{q}^{s}(L_{\tau}(\Omega)) that embed into Lp(Ω)L_{p}(\Omega). The entropy of such a ball is known and gives the lower bounds O(n−s/d){\cal O}(n^{-s/d}) for the best approximation rate by stable method of approximation. However, we have not provided stable mappings for NNs that achieve this approximation rate. A similar situation holds when we assume only continuity of these maps.

with the constant CC depending only on B,W,LB,W,L, and dd.

where AjA_{j} is the matrix determined by yy to go from level jj to level j+1j+1, and b(j)b^{(j)} is the bias vector, j=0,…,L−1j=0,\ldots,L-1. Similarly, Aj′A_{j}^{\prime} and b′(j)b^{\prime(j)} correspond to the parameter y′y^{\prime}.

One then proves by induction that ∥η′(j)∥≤C\|\eta^{\prime(j)}\|\leq C, j=0,1,…,Lj=0,1,\dots,L, and that

A closer look at the above estimates shows that the Lipschitz constant for MnM_{n} can be controlled if we take BB as a small ball around the origin. The size of the ball is chosen so that each of the matrices Aj,Aj′A_{j},A^{\prime}_{j} have small norm. To do this, the required size of the ball gets smaller as WW gets larger.

Let us first observe that the parameter selection procedures that generate the super rates of convergence for Besov and Sobolev classes cannot be continuous because of (66). If we require that the mappings ana_{n} are only continuous and consider approximation in Lp(Ω)L_{p}(\Omega), Ω=d\Omega=^{d}, then we can never attain rates of approximation better than O(n−s/d){\cal O}(n^{-s/d}) for the unit ball of any Besov space Bqs(Lτ(Ω))B_{q}^{s}(L_{\tau}(\Omega)) that embeds compactly into Lp(Ω)L_{p}(\Omega). The only cases where we know that we can actually attain this rate is when τ≥p\tau\geq p. In these cases, there are linear spaces, such as FEM spaces, contained in Σn\Sigma_{n} that provide this rate and the approximation can be done by a linear operator. So the following problem is not solved except for very special cases. Problem 8: Consider the approximation of the unit ball of a Besov space Bqs(Lτ(Ω))B_{q}^{s}(L_{\tau}(\Omega)) compactly embedded in Lp(Ω)L_{p}(\Omega) using the manifold Σn\Sigma_{n}. Give matching upper and lower bounds for the approximation rate in the case ana_{n} and MnM_{n} are Lipschitz mappings. Similarly, determine upper and lower bounds when the parameter selection mapping ana_{n} is continuous.

A question closely related to stability is whether one can approximate well under the very modest restriction that ana_{n} is bounded. Recall that boundedness helps us with MnM_{n} as well (see the above discussion). The issue of what approximation rates are possible when one imposes boundedness on ana_{n} was studied in detail in (?). The motivation in that paper was different from ours in that they were interested in NN approximation from the viewpoint of encoding. However, there is an intimate connection with stability as we have just discussed.

Approximation from data

Thus far, we have limited ourselves to understanding the approximation power of neural networks. The approximation rates we have obtained assumed full access to the target function ff. This scenario does not match the typical application of NN approximation to the tasks of learning. In problems of learning, the only information we have is data observations of ff. Such data observations alone do not allow any rigorous quantitative guarantee of how well ff can be recovered, that is, how accurately the behavior of ff at new points can be predicted. What is needed for the latter is additional information about ff, which we have referred to as model class information. The model class information is an assumption about ff that is often not provable but based more on heuristics about the application area.

Learning from data is a vast area of research that cannot be covered in any detail in this exposition. So, we limit ourselves to pointing out some aspects of this problem and how they interface with the theory of NN approximation that we have discussed so far. Obviously, any performance guarantees derived in the learning setting must necessarily be worse than those for approximation, where full information about ff is assumed. Thus, an important issue is to quantify this loss in performance.

The most common setting for the learning problem is a stochastic one, where it is assumed that the data is given by random draws from an underlying probability distribution. However, it is useful to consider the deterministic setting as well since it sheds some light on the stochastic formulation and the type of results that we can expect.

In this section, we wish to learn a function ff which is an element of a Banach space XX. Our goal is to recover ff from some finite set of data observations. We assume that the data observations are in the form of bounded linearly independent linear functionals applied to ff. Thus, our data takes the form

where X∗X^{*} is the dual space of XX. As we have pointed out numerous times, to give quantitative results on how well ff can be recovered requires more information about ff which we call model class information, i.e., information of the form f∈Kf\in K, where KK is a compact set in XX. When we inject the model class assumption that f∈Kf\in K, we have the question of how accurately we can recover ff from the two pieces of information, the data and the model class. We shall present the functional analytic view of this problem which is known as optimal recovery. It will turn out that the optimal recovery problem is not always amenable to a simple numerical method for the recovery of ff. Nevertheless, this viewpoint will be useful in motivating specific numerical methods and analyzing how well they do when compared with the optimal solution.

2 Optimal recovery in a Hilbert space

We shall restrict our development here to the most popular setting where X=HX=H is a Hilbert space. The reader interested in the more general Banach space setting can consult (?). In the Hilbert space setting, each of the functionals λj\lambda_{j} has a representation

which is referred to as the Riesz representation of λj\lambda_{j}. The functions ωj\omega_{j} span an mm dimensional subspace

of HH. We can assume without loss of generality that the ωj\omega_{j}’s are an orthonormal system. From the given data, we can find the projection

of ff onto WW. We think of ww as the given data.

Now, let us assume in addition that ff is in a certain model class KK, and ask what is the best approximation (with error measured in the norm of HH) that we can give to ff based on this information, i.e., the data and the model class information. One may think that the best we can do is to take PWfP_{W}f as the approximation. However, this is not the case since the information that f∈Kf\in K allows us to say something about the projection of ff onto the orthogonal complement W⊥W^{\perp} of WW.

Indeed, the model class information will allow us to give a best approximation to ff from the available information (model class and data ww) as follows. Let

Then, the membership of ff in KwK_{w} is the totality of information we have about ff. The best approximation to ff is now given by the center of the set KwK_{w}. Namely, let B:=B(Kw)B:=B(K_{w}) be the smallest ball in HH which contains KwK_{w}. This ball is referred to as the Chebyshev ball, its center bw∈Hb_{w}\in H is called the Chebyshev center, and its radius RwR_{w} is the Chebyshev radius. The best approximation we can give to ff is to take bwb_{w} as the approximation and the error that will ensue is RwR_{w}. The function bwb_{w} is the optimal recovery and RwR_{w} is its error of optimal recovery.

Let us reflect a bit on the above optimal solution. Every function in KwK_{w} is a possibility for ff. From the information presented to us (model class plus data), we do not know which of these functions is the desired ff. So, we do the best we can to approximate all of the possible ff’s, which turns out to be the Chebyshev center. Each g∈Kwg\in K_{w} (the possibilities for approximants of ff) is of the form w+ηw+\eta, where η\eta is in the null space N=W⊥{\cal N}=W^{\perp}. So, in essence, we are trying to find the η∈W⊥\eta\in W^{\perp} that we can add to ww so that the sum w+η∈Kw+\eta\in K.

Notice that if we find any η∈N\eta\in{\cal N} such that w+ηw+\eta is in KK, then we have essentially solved the problem since f^:=w+η\hat{f}:=w+\eta approximates ff to accuracy at worst 2Rw2R_{w}. Such an f^\hat{f} is called a near best solution.

The above description of optimal recovery, despite being elegant and optimal, is not very useful in constructing a numerical procedure since the Chebyshev ball is difficult to find numerically. Also in practice, we often are not sure what is the apropriate model class KK in a given setting. However, optimal recovery is still a good guide for the development of numerical procedures.

There are two standard approaches to developing numerical algorithms for optimal recovery. The first one is to numerically generate a recovery through least squares minimization with a constraint that enforces the model class assumption. We will not engage this approach here but simply mention that several elegant results show that for certain model classes these optimization problems have exact solution in NN spaces, especially the ones with a single hidden layer. We refer the reader to (?), (?), (?), (?) for the most recent results using this approach.

The second approach, which is more closely tied to approximation, is to replace KK by a simpler set K^\hat{K} which is less complex than KK, and yet accurate. One then solves the optimal recovery problem on the simpler surrogate model class K^\hat{K}. We discuss this approach in the following two sections.

3 Optimal recovery by linear space surrogates

The usual approach to finding a surrogate K^\hat{K} for KK is to approximate KK by a linear space of dimension nn, or more generally, a nonlinear manifold Σn\Sigma_{n}, with nn the number of parameters needed for its description. If we know that Σn\Sigma_{n} approximates KK to accuracy εn\varepsilon_{n} (here is where our error estimates for approximation are useful), we then can replace KK by

Clearly, K⊂K^K\subset\hat{K}. Usually, we also have some knowledge on the norm ∥f∥H\|f\|_{H} for functions f∈Kf\in K and this can be used to trim the set K^\hat{K} even further.

Once a surrogate K^\hat{K} has been chosen, we solve the optimal recovery problem for K^\hat{K} in place of KK by using Chebyshev balls for K^w\hat{K}_{w} as described above. As we shall now see, we can often solve the optimal recovery problem for the surrogate exactly by a numerical procedure.

We assume for the time being that K^\hat{K} is given by (149) with Σn\Sigma_{n} a linear space of dimension n<mn<m. In this case, the problem is a much simpler recovery problem than the one for KK, and optimal recovery has an exact solution that we now describe, see (?). Let us define by Hw:={h∈H: PWh=w}H_{w}:=\{h\in H:\ P_{W}h=w\}, that is, HwH_{w} is the set of all functions in HH which satisfy the data. Since f∈Kf\in K, K⊂K^K\subset\hat{K}, and PWf=wP_{W}f=w, we see that K^w:=Hw∩K^\hat{K}_{w}:=H_{w}\cap\hat{K} is non-empty. The center of the Chebyshev ball B(K^w)B(\hat{K}_{w}) for K^w\hat{K}_{w} is the point u∗(w)∈Hwu^{*}(w)\in H_{w} which is closest to Σn\Sigma_{n}, that is

The function u∗(w)u^{*}(w) is found as follows. One solves the least squares problem

and then u∗(w)=w+PW⊥v∗(w)u^{*}(w)=w+P_{W^{\perp}}v^{*}(w), where W⊥W^{\perp} is the orthogonal complement of WW in HH (the null space of PWP_{W}). One can also compute the Chebyshev radius R^w\hat{R}_{w} of B(K^w)B(\hat{K}_{w}) as

Here are a few remarks to put the above results into context.

The quantity μ(Σn,W)\mu(\Sigma_{n},W) is the reciprocal of the cosine of the angle between the two spaces Σn\Sigma_{n} and WW. It reflects the quality of the data relative to Σn\Sigma_{n}. This number will be large when the data is not well positioned relative to the linear space Σn\Sigma_{n}. In particular, it will always be infinite whenever the dimension nn of Σn\Sigma_{n} is larger than mm. This is because there will always be elements from Σn\Sigma_{n} in the null space of PWP_{W} and hence there will be points in K^w\hat{K}_{w} that are arbitrarily far apart in this case.

The above results give a bound for the performance of least squares, see (?). Namely, given data wj∗=λj(f)w_{j}^{*}=\lambda_{j}(f), j=1,…,mj=1,\ldots,m, for some f∈Hf\in H, let

Then, for any f∈Hf\in H which satisfies the data, we have

and this bound cannot be improved in the sense that there are always f∈Hf\in H for which we have equality.

Let us, for example, consider the case where Σn:=ΥW0,n\Sigma_{n}:=\Upsilon^{W_{0},n}, n≥1n\geq 1, with W0W_{0} fixed, i.e., the case of a deep network with constant width, and continue to assume that X=HX=H is a Hilbert space. We suppose that Σn\Sigma_{n} provides an approximation with error

We view K^:={h∈H: dist(h,Σn)H≤εn}\hat{K}:=\{h\in H:\ \mathop{\rm dist}(h,\Sigma_{n})_{H}\leq\varepsilon_{n}\} as a surrogate for KK. Note that K⊂K^K\subset\hat{K}. If f,g∈K^w:={h∈K^: PWh=w}f,g\in\hat{K}_{w}:=\{h\in\hat{K}:\,P_{W}h=w\} then η:=f−g∈W⊥\eta:=f-g\in W^{\perp}, and

This tells us that the Chebyshev radius R^w\hat{R}_{w} of K^w\hat{K}_{w} (and thereby the Chebyshev radius RwR_{w} of KwK_{w}) satisfies

This is the same estimate as in the case when Σn\Sigma_{n} is a linear space, except that now we have to expand Σn\Sigma_{n} to Σˉn\bar{\Sigma}_{n} because of the nonlinearity of Σn\Sigma_{n}.

We are left with finding an approximation to the Chebyshev center of K^w\hat{K}_{w} (and thereby KwK_{w}). For this we take any S∗∈ΣnS^{*}\in\Sigma_{n} which satisfies

where the last inequality follows because

and we know dist(f,Σn)H≤εn\mathop{\rm dist}(f,\Sigma_{n})_{H}\leq\varepsilon_{n}. This is a least squares problem which does not necessarily have a unique solution. However, we now show that any solution S∗S^{*} provides a good estimate for the Chebyshev center of K^w\hat{K}_{w}.

Indeed, let us take any of its solutions S∗∈ΣnS^{*}\in\Sigma_{n} and consider

and thus h∗∈K^wh^{*}\in\hat{K}_{w}. Moreover, it follows from (150) that for every f∈K^wf\in\hat{K}_{w} we have

and therefore, the ball of radius 2μnεn2\mu_{n}\varepsilon_{n} with center h∗h^{*} contains K^w\hat{K}_{w}. Thus, h∗h^{*} can be taken as an approximation to the Chebyshev center of K^w\hat{K}_{w} (and thus to the Chebyshev ceneter of KwK_{w}). A cruder, but less laborious approximation to ff is provided by S∗S^{*}, since

Inequality (152) can be reformulated in the following way. For any f∈Hf\in H, the least squares solution Sn∗S_{n}^{*} for w:=PWfw:=P_{W}f provides an approximation to ff of accuracy

since the the above argument can be repeated with εn=dist(f,Σn)H\varepsilon_{n}=\mathop{\rm dist}(f,\Sigma_{n})_{H}.

Finally, note again that if n≥mn\geq m, then there will be elements of Σn\Sigma_{n} that interpolate the data and hence μn\mu_{n} is infinite which renders the bound (153) useless. Yet, this is the case of overparametrized learning which is often used in practice. So, something must be added to least squares minimization in order to have viable results in the overparameterized case. What this additional ingredient should be is the subject of the next section.

Using Neural Networks for data fitting

The typical setting for supervised learning is to find an approximation of an unknown function ff, given a training data set of its point values

In the preceding section, we described a systematic approach to learning from data, called optimal recovery. It begins with two vital requirements: (i) a known model class KK to which ff is assumed to belong, and (ii) a specific norm or metric in which the recovery of ff by f^\hat{f} is measured. In the optimal recovery formulation of the problem, a solid theory exists to describe the optimal solution via the Chebyshev ball. The deficiency in this approach is that the construction of numerical algorithms to generate a surrogate f^\hat{f} may be a significant computational challenge.

Optimal recovery is not the viewpoint taken in the general literature on learning. Rather, in the learning community, the data fitting task is formulated in a stochastic setting, where one assumes that the data comes from random draws of the data sites x(i)x^{(i)} with respect to a probability distribution, and the f(x(i))f(x^{(i)})’s are noisy observations of some unknown function ff. Performance is then evaluated on new draws of data in the sense of probability or expectation of accuracy on these draws. This is commonly referred to as generalization error. Note that in this setting, there is no model class assumption on the function ff giving rise to the data, and so there can be no provable bound for the generalization error. What is done in practice is to give an empirical bound based on checking performance on a lot of new (random) draws which are referred to as test data.

Traditionally, model class assumptions on the unknown function ff played a dominant role in the classical formulation and proof of a priori performance guarantees, see (?). However, as noted in the previous paragraph, in the now dominant field of deep learning, where neural network approximation is an important technique, one deviates from the classical setting of model class assumptions. Our goal in the sections that follow is to understand what role approximation using neural networks plays in this new setting.

Deep learning is characterized by its ability to successfully treat very high dimensional problems, where one begins with inordinately large data sets and employs intensive computation for generating surrogates. Its success in handling high dimensional problems is provided only by empirical verification that the numerically created surrogate performs well on new draws of xx. A priori guarantees of performance are generally lacking. In fact, performance is not typically formulated under model class assumptions, which in turn prevents such a priori analysis. The lack of a specific model class assumption is probably due, at least in part, to the high dimensionality dd, since in this case it is often unclear what appropriate model classes should be. Note, however, that since the data observations are point evaluations, a minimal assumption is that ff is in a Reproducing Kernel Hilbert Space (RKHS), although the specific RKHS is not known or postulated.

Another important feature of deep learning is its use of over parameterization in the search for a surrogate. This runs in the face of classical learning which warns against overfitting the data because it leads to fitting the noise.

2 Possible model class assumption in high dimension

Before turning to the overparameterized setting, we wish to make a few remarks on possible viable model class assumptions that could be used towards providing a priori guarantees in deep learning. One valid view point is that the functions we are trying to recover do possess some special properties; we just do not know what they are.

The fact that neural networks are used quite successfully suggests that the functions we are trying to learn are well approximated by neural networks. If this is the case, then a natural model class assumption would be that ff is in an approximation class Ar((Σn)n≥1,X){\cal A}^{r}((\Sigma_{n})_{n\geq 1},X), which we recall consists of the functions ff for which

where again there is the question what is the appropriate space XX in which to measure error. Here, (Σn)n≥1(\Sigma_{n})_{n\geq 1} would be the family of spaces outputted by the chosen NNs and nn would represent the number of their parameters. This underlines the importance of understanding the approximation performance of neural networks in a rate/distortion sense, and, in particular, which functions are well approximated by neural network outputs.

3 Overparameterization

We turn now to learning from data using overparameterized models. When searching for an approximation to ff from a set of outputs of a neural network with a given architecture, say Σn=ΥW,L(σ;d;1)\Sigma_{n}=\Upsilon^{W,L}(\sigma;d;1), it is usually the case in practice that the number of trainable parameters, that is the number n=n(W,L)n=n(W,L) of weights and biases, exceeds the number mm of data sites x(k)x^{(k)},

In other words, neural networks are usually overparameterized. This means that there are generally infinitely many choices of the parameter vector θ\theta (of network weights and biases) so that the network with these parameters outputs a function S(⋅;θ)S(\cdot;\theta) that fits (interpolates) the data, that is

Characterizing exactly which interpolant is chosen by the numerical method is at the heart of learning via overparameterized neural networks. In this section, we want to understand how this selection is done in practice and whether the selection has an analytic interpretation. In particular, there is the question of whether the numerical method itself is in a certain sense specifying a model class assumption. If so, it would be important to unravel what this hidden assumption is.

The standard way of selecting an approximant f^\hat{f} to ff in the practice of overparameterized deep learning using neural networks is to begin with a random starting guess θ(0)\theta^{(0)} for the parameters and thereby specifying the first guess S(⋅;θ0)S(\cdot;\theta_{0}) for a surrogate. Successive approximations S(⋅,θ(k))S(\cdot,\theta^{(k)}), for k=1,2,…k=1,2,\dots, are then generated by applying a gradient descent (or stochastic gradient descent) to finding the minimum of a loss L{\cal L}, which usually takes the form of an empirical risk, that is

If the step sizes are appropriately chosen in the descent algorithm, then this procedure seems to work well in practice in that S(⋅,θ(k))S(\cdot,\theta^{(k)}) with kk large is an approximation to ff which generalizes well. Here, θ(k)\theta^{(k)} is the output parameter of the gradient descent algorithm at the kthk^{th} step.

A number of attempts have been made to understand why descent algorithms, employed to train overparameterized neural networks, provide a surrogate that generalizes well, see (?), (?), (?), (?). However, the resulting a priori performance guarantees are often vacuous in practice in the sense that the probability of misclassification of a new sample is bounded from above by a number greater than one. Of course, no such guarantee can hold in the absence of a model class assumption on the underlying function ff which provided the data.

On the other hand, some heuristic explanations have been put forward to explain the success of this approach. One of the most popular is that the descent algorithm itself provides a form of implicit regularization that biases learning towards selecting parameter values θ∗\theta^{*} that correspond in some sense to low complexity functions S(⋅;θ∗)S(\cdot;\theta^{*}). The idea is that the starting guess S(⋅;θ(0))S(\cdot;\theta^{(0)}) has relatively low complexity with high probability. Then, since the model is overparameterized, there are many values of θ\theta for which S(⋅;θ)S(\cdot;\theta) interpolates the data. In particular, there is often such a value θ∗\theta^{*} near θ(0)\theta^{(0)}. Since gradient descent is essentially a greedy local search, it is reasonable to expect that it will converge to such a θ∗\theta^{*} that is near θ(0)\theta^{(0)}.

These heuristics would match a model class assumption that ff itself is well approximated by the output of neural networks depending on relatively few parameters, that is, ff is in a model class Ar{\cal A}^{r} with a large value of rr. Or, more generally, that ff is well-approximated by networks depending on many parameters, but with some additional constraints on the size or complexity or these parameters. The purpose of the next section is to provide some support for this idea in the simple case of overparameterized regression.

3.2 Gradient descent for linear regression

As we have seen, the outputs of a neural network form a complicated nonlinear family which is difficult to analyze. It could be therefore useful to understand what the above numerical approach based on gradient descent yields in the simpler case of linear regression. We briefly describe this in the present section.

The key assumption we make is that the model is overparameterized, meaning that m<nm<n. If A:=(aij)A:=(a_{ij}) is the m×nm\times n matrix with entries

the coefficients θ=(θj)j=1n\theta=(\theta_{j})_{j=1}^{n} of any interpolant

to the data satisfy the underdetermined system of equations

where θ(0)\theta^{(0)} is the initial guess.

We do not provide a full detailed proof of this claim, but make the following remarks, which will allow the reader to fill in the details. The iterative procedure chooses step sizes ηk\eta_{k} and defines an optimization trajectory as follows,

The function L{\cal L} is strictly convex on WW with minimizer θ∗\theta^{*}. Since the iterations of gradient descent converge under restriction on the step size provided by the eigenvalues of ATAA^{T}A, we obtain the claim.

In summary, we find that optimization by gradient descent from a random initialization has at least two important effects. First, the choice of initialization determines the value of the component PW⊥(θ(0))P_{W^{\perp}}(\theta^{(0)}) not “seen” by the data. Its norm is precisely the distance between the θ∗\theta^{*} and θ^\hat{\theta}, which suggests that it is important to properly initialize the optimization. Second, the gradient descent was greedy, leaving PW⊥(θ(0))P_{W^{\perp}}(\theta^{(0)}) unchanged during the optimization. This can be viewed as a form of implicit regularization, since at least it does not increase this component. In addition, it implies an implicit model class assumption that the function ff underlying the data {(x(i),f(x(i)))}\{(x^{(i)},f(x^{(i)}))\} is of low complexity which means that it is well approximated by VnV_{n}.

3.3 Gradient descent selection for neural networks

The above discussion does not carry over directly to overparameterized data fitting with neural networks because the set of NN outputs is not a linear space. However, a recent line of work, see (?), (?), (?), (?), (?), has shown that for sufficiently wide networks such considerations are still approximately valid. In short, as we sketch immediately below, a number of rigorous results show that, as W→∞W\rightarrow\infty, gradient descent on the mean squared error loss L\mathcal{L} using neural networks ΥW,L(σ;d,1)\Upsilon^{W,L}(\sigma;d,1) can be recast as overparameterized regression in a RKHS Hσ,LH_{\sigma,L}, determined by σ\sigma and LL. The reproducing kernel of Hσ,LH_{\sigma,L} is called the neural tangent kernel and is fixed throughout training in the limit when W→∞.W\rightarrow\infty.

To explain this point, suppose we are given a dataset as in (154). Let us fix LL and solve the learning problem for this dataset using a class of neural networks ΥW,L(σ;d,1)\Upsilon^{W,L}(\sigma;d,1) in which WW is large. Starting from a random guess θ(0)\theta^{(0)}, the trajectory of the gradient descent on the loss L\mathcal{L}, see (156), for the network parameters is given by

Varying WW changes the number of components of θ\theta. It is convenient to introduce the functions

which record the values of SS on the data set. A simple calculus exercise (Taylor’s formula) shows that the trajectory of viv_{i} induced by (162) is

where vi(t+1):=S(x(i);θ(t+1))v_{i}^{(t+1)}:=S(x^{(i)};\theta^{(t+1)}), and KθK_{\theta} is the so-called neural tangent kernel

Note that Kθ(t)K_{\theta^{(t)}} depends on the current setting θ(t)\theta^{(t)} of trainable parameters. However, it turns out that in the limit when WW, and hence nn, tends to infinity, Kθ(t)K_{\theta^{(t)}} is given for all tt by the average

of Kθ(0)K_{\theta^{(0)}} over the randomness in θ(0)\theta^{(0)}. The notation Kσ,LK_{\sigma,L} is meant to emphasize that this limiting kernel depends on the network depth LL and the activation function σ\sigma, see (?) and subsequent work. Thus, the training dynamics are summarized by

The term multiplied by ηt\eta_{t} on the right hand side is precisely the derivative with respect to viv_{i} of

where v(t)−y:=(v1(t)−y1,…,vm(t)−ym)v^{(t)}-y:=(v_{1}^{(t)}-y_{1},\ldots,v_{m}^{(t)}-y_{m}) and the norm is with respect to the RKHS structure determined by Kσ,LK_{\sigma,L}.

This derivation shows that in the case of small step sizes and large widths, using gradient descent on the loss function L{\cal L}, see (156), for neural networks of fixed depth is similar to using gradient descent for the least squares regression problem in the RKHS determined by Kσ,LK_{\sigma,L}.

While the discussion above gives some view of what gradient descent minimization is doing, a satisfactory understanding of why overparameterized learning generalizes well remains elusive. This is an important but poorly understood topic with a rapidly growing literature, see (?), (?, ?).

3.4 Stability of gradient descent

A natural question when applying gradient descent to find an approximant to the underlying function is its stability as a numerical algorithm. That is, if we slightly change the input data (the data sites and the values assigned to these points), how does this effect the output of the numerical algorithm. In this section, we ask some natural questions that would aid our understanding of stability.

In our earlier treatment of stability, see §5.5, we assumed full access to the target function ff in the formulation of what stability meant and what was an optimal performance of a stable recovery when using nonlinear manifolds. Recall that the optimal recovery rate on a model class KK was given by the stable widths δn∗(K)X\delta_{n}^{*}(K)_{X}, and these were connected to the entropy of KK.

Question 1: What are the regularity properties of AnA_{n}? Is it continuous or perhaps even smoother?

Some information about this question can be extracted from our discussion in §9.1, but the analysis there was quite crude. Given an answer to Question 2, we would like ana_{n} to map into such a ball which leads us to the next question.

Question 3: What can be said about the range of ana_{n} as it relates to the initial parameter guess and subsequent step size restrictions?

Our next questions center on whether An(D)A_{n}(D) is a good surrogate. Although model classes do not appear in the construction of AnA_{n}, there is a belief that An(D)A_{n}(D) provides a good surrogate for the target function ff that gave rise to the data. If this is indeed the case, then this statement needs an analytic formulation. One such possible answer is that AnA_{n} is good for a universal collection of model classes. To try to formulate this, let us now introduce a model class KK into the picture, where K⊂XK\subset X is a compact subset of XX. We take the view that KK exists but is unknown to us.

Given such a model class KK, the datasets given to us are now of the form D=D(f)D=D(f), f∈Kf\in K, where f(x(i))f(x^{(i)}) are the observed values at the data sites x(i)x^{(i)}, i=1,…,mi=1,\dots,m. We can further add in variability of the data sites by introducing X:=(x(i))i=1m{\cal X}:=(x^{(i)})_{i=1}^{m}. In this way, we can view the data provided to depend on both the selection of sites and the f∈Kf\in K, and write D(X,f)D({\cal X},f). One can then revisit Questions 1-3 in this setting.

We can now view AnA_{n} as a map An:X×K→ΣnA_{n}:{\cal X}\times K\to\Sigma_{n} and treat it as a random variable. This would allow us to measure its performance in expectation or with high probability. At this point, there would be no need to require that the mapping ana_{n} be given by gradient descent but rather put gradient descent into competition with more general mappings. This would lead to various notions of optimal performance similar to those, considered in Information Based Complexity, see e.g. (?). One of these is

where the infimum is taken over a class A{\cal A} of algorithms AnA_{n}, perhaps imposing some stability on AnA_{n}. Another meaningful measure of optimality would involve expected performance over random draws X{\cal X}.

Whatever measure of performance is chosen, one can introduce a corresponding concept of width. Now, the width δm,n(K)X\delta_{m,n}(K)_{X} for a model class KK would depend on both mm and nn, and the properties imposed on the algorithms in A{\cal A} such as Lipschitz mappings. With such a width in hand, one can now ask for lower and upper bounds for these widths.

Acknowledgment: All three authors were supported by a MURI grant N00014-20-1-2787, administered through the Office of Naval Research. RD and GP were supported by an NSF grant DMS-1817603, BH was supported by an NSF grant DMS–1855684.

References