expression rate
Neural and spectral operator surrogates: unified construction and expression rate bounds
Herrmann, Lukas, Schwab, Christoph, Zech, Jakob
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 spectral 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.
Neural Networks for Singular Perturbations
Opschoor, Joost A. A., Schwab, Christoph, Xenophontos, Christos
We prove deep neural network (DNN for short) expressivity rate bounds for solution sets of a model class of singularly perturbed, elliptic two-point boundary value problems, in Sobolev norms, on the bounded interval $(-1,1)$. We assume that the given source term and reaction coefficient are analytic in $[-1,1]$. We establish expression rate bounds in Sobolev norms in terms of the NN size which are uniform with respect to the singular perturbation parameter for several classes of DNN architectures. In particular, ReLU NNs, spiking NNs, and $\tanh$- and sigmoid-activated NNs. The latter activations can represent ``exponential boundary layer solution features'' explicitly, in the last hidden layer of the DNN, i.e. in a shallow subnetwork, and afford improved robust expression rate bounds in terms of the NN size. We prove that all DNN architectures allow robust exponential solution expression in so-called `energy' as well as in `balanced' Sobolev norms, for analytic input data.
Deep Operator Network Approximation Rates for Lipschitz Operators
Schwab, Christoph, Stein, Andreas, Zech, Jakob
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.
Exponential Convergence of Deep Operator Networks for Elliptic Partial Differential Equations
Marcati, Carlo, Schwab, Christoph
We construct and analyze approximation rates of deep operator networks (ONets) between infinite-dimensional spaces that emulate with an exponential rate of convergence the coefficient-to-solution map of elliptic second-order partial differential equations. In particular, we consider problems set in $d$-dimensional periodic domains, $d=1, 2, \dots$, and with analytic right-hand sides and coefficients. Our analysis covers linear, elliptic second order divergence-form PDEs as, e.g., diffusion-reaction problems, parametric diffusion equations, and elliptic systems such as linear isotropic elastostatics in heterogeneous materials. We leverage the exponential convergence of spectral collocation methods for boundary value problems whose solutions are analytic. In the present periodic and analytic setting, this follows from classical elliptic regularity. Within the ONet branch and trunk construction of [Chen and Chen, 1993] and of [Lu et al., 2021], we show the existence of deep ONets which emulate the coefficient-to-solution map to a desired accuracy in the $H^1$ norm, uniformly over the coefficient set. We prove that the neural networks in the ONet have size $\mathcal{O}(\left|\log(\varepsilon)\right|^\kappa)$, where $\varepsilon>0$ is the approximation accuracy, for some $\kappa>0$ depending on the physical space dimension.
Deep Learning in High Dimension: Neural Network Approximation of Analytic Functions in $L^2(\mathbb{R}^d,\gamma_d)$
Schwab, Christoph, Zech, Jakob
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.
Exponential ReLU Neural Network Approximation Rates for Point and Edge Singularities
Marcati, Carlo, Opschoor, Joost A. A., Petersen, Philipp C., Schwab, Christoph
We prove exponential expressivity with stable ReLU Neural Networks (ReLU NNs) in $H^1(\Omega)$ for weighted analytic function classes in certain polytopal domains $\Omega$, in space dimension $d=2,3$. Functions in these classes are locally analytic on open subdomains $D\subset \Omega$, but may exhibit isolated point singularities in the interior of $\Omega$ or corner and edge singularities at the boundary $\partial \Omega$. The exponential expression rate bounds proved here imply uniform exponential expressivity by ReLU NNs of solution families for several elliptic boundary and eigenvalue problems with analytic data. The exponential approximation rates are shown to hold in space dimension $d = 2$ on Lipschitz polygons with straight sides, and in space dimension $d=3$ on Fichera-type polyhedral domains with plane faces. The constructive proofs indicate in particular that NN depth and size increase poly-logarithmically with respect to the target NN approximation accuracy $\varepsilon>0$ in $H^1(\Omega)$. The results cover in particular solution sets of linear, second order elliptic PDEs with analytic data and certain nonlinear elliptic eigenvalue problems with analytic nonlinearities and singular, weighted analytic potentials as arise in electron structure models. In the latter case, the functions correspond to electron densities that exhibit isolated point singularities at the positions of the nuclei. Our findings provide in particular mathematical foundation of recently reported, successful uses of deep neural networks in variational electron structure algorithms.