Mathematical theory of deep learning

This book provides an introduction to the mathematical analysis of deep learning. It covers fundamental results in approximation theory, optimization theory, and statistical learning theory, which are the three main pillars of deep neural network theory. Serving as a guide for students and researchers in mathematics and related fields, the book aims to equip readers with foundational knowledge on the topic. It prioritizes simplicity over generality, and presents rigorous yet accessible results to help build an understanding of the essential mathematical concepts underpinning deep learning.

Distribution learning via neural differential equations: a nonparametric statistical perspective

Ordinary differential equations (ODEs), via their induced flow maps, provide a powerful framework to parameterize invertible transformations for the purpose of representing complex probability distributions. While such models have achieved enormous success in machine learning, particularly for generative modeling and density estimation, little is known about their statistical properties. This work establishes the first general nonparametric statistical convergence analysis for distribution learning via ODE models trained through likelihood maximization. We first prove a convergence theorem applicable to arbitrary velocity field classes $\mathcal{F}$ satisfying certain simple boundary constraints. This general result captures the trade-off between approximation error (`bias') and the complexity of the ODE model (`variance'). We show that the latter can be quantified via the $C^1$-metric entropy of the class $\mathcal F$. We then apply this general framework to the setting of $C^k$-smooth target densities, and establish nearly minimax-optimal convergence rates for two relevant velocity field classes $\mathcal F$: $C^k$ functions and neural networks. The latter is the practically important case of neural ODEs. Our proof techniques require a careful synthesis of (i) analytical stability results for ODEs, (ii) classical theory for sieved M-estimators, and (iii) recent results on approximation rates and metric entropies of neural network classes. The results also provide theoretical insight on how the choice of velocity field class, and the dependence of this choice on sample size $n$ (e.g., the scaling of width, depth, and sparsity of neural network classes), impacts statistical performance.

Deep Operator Network Approximation Rates for Lipschitz Operators

We establish universality and expression rate bounds for a class of neural Deep Operator Networks (DON) emulating Lipschitz (or H\"older) continuous maps $\mathcal G:\mathcal X\to\mathcal Y$ between (subsets of) separable Hilbert spaces $\mathcal X$, $\mathcal Y$. The DON architecture considered uses linear encoders $\mathcal E$ and decoders $\mathcal D$ via (biorthogonal) Riesz bases of $\mathcal X$, $\mathcal Y$, and an approximator network of an infinite-dimensional, parametric coordinate map that is Lipschitz continuous on the sequence space $\ell^2(\mathbb N)$. Unlike previous works ([Herrmann, Schwab and Zech: Neural and Spectral operator surrogates: construction and expression rate bounds, SAM Report, 2022], [Marcati and Schwab: Exponential Convergence of Deep Operator Networks for Elliptic Partial Differential Equations, SAM Report, 2022]), which required for example $\mathcal G$ to be holomorphic, the present expression rate results require mere Lipschitz (or H\"older) continuity of $\mathcal G$. Key in the proof of the present expression rate bounds is the use of either super-expressive activations (e.g. [Yarotski: Elementary superexpressive activations, Int. Conf. on ML, 2021], [Shen, Yang and Zhang: Neural network approximation: Three hidden layers are enough, Neural Networks, 2021], and the references there) which are inspired by the Kolmogorov superposition theorem, or of nonstandard NN architectures with standard (ReLU) activations as recently proposed in [Zhang, Shen and Yang: Neural Network Architecture Beyond Width and Depth, Adv. in Neural Inf. Proc. Sys., 2022]. We illustrate the abstract results by approximation rate bounds for emulation of a) solution operators for parametric elliptic variational inequalities, and b) Lipschitz maps of Hilbert-Schmidt operators.

Neural and gpc operator surrogates: construction and expression rate bounds

Approximation rates are analyzed for deep surrogates of maps between infinite-dimensional function spaces, arising e.g. as data-to-solution maps of linear and nonlinear partial differential equations. Specifically, we study approximation rates for Deep Neural Operator and Generalized Polynomial Chaos (gpc) Operator surrogates for nonlinear, holomorphic maps between infinite-dimensional, separable Hilbert spaces. Operator in- and outputs from function spaces are assumed to be parametrized by stable, affine representation systems. Admissible representation systems comprise orthonormal bases, Riesz bases or suitable tight frames of the spaces under consideration. Algebraic expression rate bounds are established for both, deep neural and gpc operator surrogates acting in scales of separable Hilbert spaces containing domain and range of the map to be expressed, with finite Sobolev or Besov regularity. We illustrate the abstract concepts by expression rate bounds for the coefficient-to-solution map for a linear elliptic PDE on the torus.

De Rham compatible Deep Neural Networks

We construct several classes of neural networks with ReLU and BiSU (Binary Step Unit) activations, which exactly emulate the lowest order Finite Element (FE) spaces on regular, simplicial partitions of polygonal and polyhedral domains $\Omega \subset \mathbb{R}^d$, $d=2,3$. For continuous, piecewise linear (CPwL) functions, our constructions generalize previous results in that arbitrary, regular simplicial partitions of $\Omega$ are admitted, also in arbitrary dimension $d\geq 2$. Vector-valued elements emulated include the classical Raviart-Thomas and the first family of N\'{e}d\'{e}lec edge elements on triangles and tetrahedra. Neural Networks emulating these FE spaces are required in the correct approximation of boundary value problems of electromagnetism in nonconvex polyhedra $\Omega \subset \mathbb{R}^3$, thereby constituting an essential ingredient in the application of e.g. the methodology of ``physics-informed NNs'' or ``deep Ritz methods'' to electromagnetic field simulation via deep learning techniques. They satisfy exact (De Rham) sequence properties, and also spawn discrete boundary complexes on $\partial\Omega$ which satisfy exact sequence properties for the surface divergence and curl operators $\mathrm{div}_\Gamma$ and $\mathrm{curl}_\Gamma$, respectively, thereby enabling ``neural boundary elements'' for computational electromagnetism. We indicate generalizations of our constructions to higher-order compatible spaces and other, non-compatible classes of discretizations in particular the Crouzeix-Raviart elements and Hybridized, Higher Order (HHO) methods.

Deep Learning in High Dimension: Neural Network Approximation of Analytic Functions in $L^2(\mathbb{R}^d,γ_d)$

For artificial deep neural networks, we prove expression rates for analytic functions $f:\mathbb{R}^d\to\mathbb{R}$ in the norm of $L^2(\mathbb{R}^d,\gamma_d)$ where $d\in {\mathbb{N}}\cup\{ \infty \}$. Here $\gamma_d$ denotes the Gaussian product probability measure on $\mathbb{R}^d$. We consider in particular ReLU and ReLU${}^k$ activations for integer $k\geq 2$. For $d\in\mathbb{N}$, we show exponential convergence rates in $L^2(\mathbb{R}^d,\gamma_d)$. In case $d=\infty$, under suitable smoothness and sparsity assumptions on $f:\mathbb{R}^{\mathbb{N}}\to\mathbb{R}$, with $\gamma_\infty$ denoting an infinite (Gaussian) product measure on $\mathbb{R}^{\mathbb{N}}$, we prove dimension-independent expression rate bounds in the norm of $L^2(\mathbb{R}^{\mathbb{N}},\gamma_\infty)$. The rates only depend on quantified holomorphy of (an analytic continuation of) the map $f$ to a product of strips in $\mathbb{C}^d$. As an application, we prove expression rate bounds of deep ReLU-NNs for response surfaces of elliptic PDEs with log-Gaussian random field inputs.