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Stephan Wojtowytsch

Publications and source records attributed to Stephan Wojtowytsch.

At least 19 recordsLinked to original sources

The Barron-Lipschitz Energy Gap and Depth Separation Phenomena in Scientific Machine Learning

We illustrate in several examples that even neural networks of infinite width (specifically, Barron functions) may encounter substantial obstacles when used as a model class for problems in the calculus of variations. An instance of practical relevance concerns the bending, stretching and folding of a thin elastic shell with anchored or clamped boundary conditions where elastic energy could be reduced by folding along a circular line, but the neural networks can only describe straight folds along entire lines. Conversely, we show that there is no gap between the energy that Barron functions and Lipschitz functions can achieve for a large class of integral first-order functionals.

math.AP

Elliptic Regularity Theory in Barron Spaces and Applications to the Deep Ritz Method

We prove that harmonic functions with Dirichlet boundary data in Barron space, a function class tailored to wide ReLU networks with a single hidden layer and suitably bounded weights, are generally neither Lipschitz continuous nor in the Sobolev class $H^2$. A fortiori, they are not in any function class in which the norm controls the Lipschitz constant, which rules out not only Barron space regularity, but also regularity in function classes for deeper ReLU networks with bounded coefficients. They can, however, be approximated to accuracy $\sim \varepsilon$ by Barron functions of low norm $\sim |\log\varepsilon|$ in various Lebesgue and Sobolev norms (with at most two derivatives). The positive result holds on very simple domains: Half-spaces in arbitrary dimension and rectangular domains in two dimensions. As an application of this regularity theory, we obtain a priori error estimates for Deep Ritz neural PDE solvers.

math.AP

Momentum-based minimization of the Ginzburg-Landau functional on Euclidean spaces and graphs

We study the momentum-based minimization of a diffuse perimeter functional on Euclidean spaces and on graphs with applications to semi-supervised classification tasks in machine learning. While the gradient flow in the task at hand is a parabolic partial differential equation, the momentum method corresponds to a damped hyperbolic PDE, leading to qualitatively and quantitatively different trajectories. Using a convex-concave splitting-based FISTA-type time discretization, we demonstrate empirically that momentum can lead to faster convergence if the time step size is large but not too large. With large time steps, the PDE analysis offers only limited insight into the geometric behavior of solutions and typical hyperbolic phenomena like loss of regularity are not be observed in sample simulations. We obtain the singular limit of the evolution equations as the length parameter of the phase fields tends to zero by formal expansions and numerically confirm its validity for circles in two dimensions. Our analysis is complemented by numerical experiments for planar curves, surfaces in three-dimensional space, and semi-supervised learning tasks on graphs.

math.AP

Convex-concave splitting for the Allen-Cahn equation leads to $\varepsilon^2$-slow movement of interfaces

The convex-concave splitting discretization of the Allen-Cahn is easy to implement and guaranteed to be energy decreasing even for large time-steps. We analyze the time-stepping scheme for a large class of potentials which includes the standard potential as well as two extreme settings: Potentials with quadratic convex part (uniform positive curvature), and potentials which are concave between the potential wells and either linear or infinite outside (highly concentrated curvature). In all three scenarios, the 'effective time step size' of the scheme scales with the square of the small parameter $\varepsilon$ governing the width of transition layers. A weaker 'slow motion' result is proved under much more general assumptions. Thus, stability is achieved by effectively 'freezing' the interfaces in place. The time step limitation is not geometric in origin, but depends on the phase-field parameter $\varepsilon$. Along the way, we establish a new link between an Allen-Cahn type equation and a thresholding approximation of mean curvature flow.

math.NA

Nesterov acceleration in benignly non-convex landscapes

While momentum-based optimization algorithms are commonly used in the notoriously non-convex optimization problems of deep learning, their analysis has historically been restricted to the convex and strongly convex setting. In this article, we partially close this gap between theory and practice and demonstrate that virtually identical guarantees can be obtained in optimization problems with a `benign' non-convexity. We show that these weaker geometric assumptions are well justified in overparametrized deep learning, at least locally. Variations of this result are obtained for a continuous time model of Nesterov's accelerated gradient descent algorithm (NAG), the classical discrete time version of NAG, and versions of NAG with stochastic gradient estimates with purely additive noise and with noise that exhibits both additive and multiplicative scaling.

math.OC

Solving the Poisson Equation with Dirichlet data by shallow ReLU$^α$-networks: A regularity and approximation perspective

For several classes of neural PDE solvers (Deep Ritz, PINNs, DeepONets), the ability to approximate the solution or solution operator to a partial differential equation (PDE) hinges on the abilitiy of a neural network to approximate the solution in the spatial variables. We analyze the capacity of neural networks to approximate solutions to an elliptic PDE assuming that the boundary condition can be approximated efficiently. Our focus is on the Laplace operator with Dirichlet boundary condition on a half space and on neural networks with a single hidden layer and an activation function that is a power of the popular ReLU activation function.

math.AP

Nesterov acceleration despite very noisy gradients

We present a generalization of Nesterov's accelerated gradient descent algorithm. Our algorithm (AGNES) provably achieves acceleration for smooth convex and strongly convex minimization tasks with noisy gradient estimates if the noise intensity is proportional to the magnitude of the gradient at every point. Nesterov's method converges at an accelerated rate if the constant of proportionality is below 1, while AGNES accommodates any signal-to-noise ratio. The noise model is motivated by applications in overparametrized machine learning. AGNES requires only two parameters in convex and three in strongly convex minimization tasks, improving on existing methods. We further provide clear geometric interpretations and heuristics for the choice of parameters.

stat.ML

A note on spatially inhomogeneous Cahn-Hilliard energies

In 2023, Cristoferi, Fonseca and Ganedi proved that Cahn-Hilliard type energies with spatially inhomogeneous potentials converge to the usual (isotropic and homogeneous) perimeter functional if the length-scale $δ$ of spatial inhomogeneity in the double-well potential is small compared to the length-scale $\varepsilon$ of phase transitions. We give a simple new proof under a slightly stronger assumption on the regularity of $W$ with respect to the phase parameter. The simplicity of the proof allows us to easily find multiple generalizations in other directions, including stochastic potentials and potentials which may become zero outside the wells ('voids'). The theoretical results are complemented by numerical experiments. Our main message is that, across a wide variety of settings, nothing that looks sufficiently homogeneous at the transition length scale between phases, affects the limiting behavior in the slightest. The notable exception is the setting of potentials with spatially varying potential wells, where a stronger scale separation $δ\ll \varepsilon^{3/2}$ is needed. Based on the analysis, we further provide a modified Modica-Mortola type energy which does not require such a scale separation. The theoretical analysis is complemented by numerical experiments.

math.AP

SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations

We consider using deep neural networks to solve time-dependent partial differential equations (PDEs), where multi-scale processing is crucial for modeling complex, time-evolving dynamics. While the U-Net architecture with skip connections is commonly used by prior studies to enable multi-scale processing, our analysis shows that the need for features to evolve across layers results in temporally misaligned features in skip connections, which limits the model's performance. To address this limitation, we propose SineNet, consisting of multiple sequentially connected U-shaped network blocks, referred to as waves. In SineNet, high-resolution features are evolved progressively through multiple stages, thereby reducing the amount of misalignment within each stage. We furthermore analyze the role of skip connections in enabling both parallel and sequential processing of multi-scale information. Our method is rigorously tested on multiple PDE datasets, including the Navier-Stokes equations and shallow water equations, showcasing the advantages of our proposed approach over conventional U-Nets with a comparable parameter budget. We further demonstrate that increasing the number of waves in SineNet while maintaining the same number of parameters leads to a monotonically improved performance. The results highlight the effectiveness of SineNet and the potential of our approach in advancing the state-of-the-art in neural PDE solver design. Our code is available as part of AIRS (https://github.com/divelab/AIRS).

cs.LG

Minimum norm interpolation by perceptra: Explicit regularization and implicit bias

We investigate how shallow ReLU networks interpolate between known regions. Our analysis shows that empirical risk minimizers converge to a minimum norm interpolant as the number of data points and parameters tends to infinity when a weight decay regularizer is penalized with a coefficient which vanishes at a precise rate as the network width and the number of data points grow. With and without explicit regularization, we numerically study the implicit bias of common optimization algorithms towards known minimum norm interpolants.

stat.ML

A qualitative difference between gradient flows of convex functions in finite- and infinite-dimensional Hilbert spaces

We consider gradient flow/gradient descent and heavy ball/accelerated gradient descent optimization for convex objective functions. In the gradient flow case, we prove the following: 1. If $f$ does not have a minimizer, the convergence $f(x_t)\to \inf f$ can be arbitrarily slow. 2. If $f$ does have a minimizer, the excess energy $f(x_t) - \inf f$ is integrable/summable in time. In particular, $f(x_t) - \inf f = o(1/t)$ as $t\to\infty$. 3. In Hilbert spaces, this is optimal: $f(x_t) - \inf f$ can decay to $0$ as slowly as any given function which is monotone decreasing and integrable at $\infty$, even for a fixed quadratic objective. 4. In finite dimension (or more generally, for all gradient flow curves of finite length), this is not optimal: We prove that there are convex monotone decreasing integrable functions $g(t)$ which decrease to zero slower than $f(x_t)-\inf f$ for the gradient flow of any convex function on $\mathbb R^d$. For instance, we show that any gradient flow $x_t$ of a convex function $f$ in finite dimension satisfies $\liminf_{t\to\infty} \big(t\cdot \log^2(t)\cdot \big\{f(x_t) -\inf f\big\}\big)=0$. This improves on the commonly reported $O(1/t)$ rate and provides a sharp characterization of the energy decay law. We also note that it is impossible to establish a rate $O(1/(tϕ(t))$ for any function $ϕ$ which satisfies $\lim_{t\to\infty}ϕ(t) = \infty$, even asymptotically. Similar results are obtained in related settings for (1) discrete time gradient descent, (2) stochastic gradient descent with multiplicative noise and (3) the heavy ball ODE. In the case of stochastic gradient descent, the summability of $\mathbb E[f(x_n) - \inf f]$ is used to prove that $f(x_n)\to \inf f$ almost surely - an improvement on the convergence almost surely up to a subsequence which follows from the $O(1/n)$ decay estimate.

math.OC

Group Equivariant Fourier Neural Operators for Partial Differential Equations

We consider solving partial differential equations (PDEs) with Fourier neural operators (FNOs), which operate in the frequency domain. Since the laws of physics do not depend on the coordinate system used to describe them, it is desirable to encode such symmetries in the neural operator architecture for better performance and easier learning. While encoding symmetries in the physical domain using group theory has been studied extensively, how to capture symmetries in the frequency domain is under-explored. In this work, we extend group convolutions to the frequency domain and design Fourier layers that are equivariant to rotations, translations, and reflections by leveraging the equivariance property of the Fourier transform. The resulting $G$-FNO architecture generalizes well across input resolutions and performs well in settings with varying levels of symmetry. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

cs.LG

Optimal bump functions for shallow ReLU networks: Weight decay, depth separation and the curse of dimensionality

In this note, we study how neural networks with a single hidden layer and ReLU activation interpolate data drawn from a radially symmetric distribution with target labels 1 at the origin and 0 outside the unit ball, if no labels are known inside the unit ball. With weight decay regularization and in the infinite neuron, infinite data limit, we prove that a unique radially symmetric minimizer exists, whose weight decay regularizer and Lipschitz constant grow as $d$ and $\sqrt{d}$ respectively. We furthermore show that the weight decay regularizer grows exponentially in $d$ if the label $1$ is imposed on a ball of radius $\varepsilon$ rather than just at the origin. By comparison, a neural networks with two hidden layers can approximate the target function without encountering the curse of dimensionality.

stat.ML

Qualitative neural network approximation over R and C: Elementary proofs for analytic and polynomial activation

In this article, we prove approximation theorems in classes of deep and shallow neural networks with analytic activation functions by elementary arguments. We prove for both real and complex networks with non-polynomial activation that the closure of the class of neural networks coincides with the closure of the space of polynomials. The closure can further be characterized by the Stone-Weierstrass theorem (in the real case) and Mergelyan's theorem (in the complex case). In the real case, we further prove approximation results for networks with higher-dimensional harmonic activation and orthogonally projected linear maps. We further show that fully connected and residual networks of large depth with polynomial activation functions can approximate any polynomial under certain width requirements. All proofs are entirely elementary.

cs.LG

Stochastic gradient descent with noise of machine learning type. Part I: Discrete time analysis

Stochastic gradient descent (SGD) is one of the most popular algorithms in modern machine learning. The noise encountered in these applications is different from that in many theoretical analyses of stochastic gradient algorithms. In this article, we discuss some of the common properties of energy landscapes and stochastic noise encountered in machine learning problems, and how they affect SGD-based optimization. In particular, we show that the learning rate in SGD with machine learning noise can be chosen to be small, but uniformly positive for all times if the energy landscape resembles that of overparametrized deep learning problems. If the objective function satisfies a Lojasiewicz inequality, SGD converges to the global minimum exponentially fast, and even for functions which may have local minima, we establish almost sure convergence to the global minimum at an exponential rate from any finite energy initialization. The assumptions that we make in this result concern the behavior where the objective function is either small or large and the nature of the gradient noise, but the energy landscape is fairly unconstrained on the domain where the objective function takes values in an intermediate regime.

stat.ML

Stochastic gradient descent with noise of machine learning type. Part II: Continuous time analysis

The representation of functions by artificial neural networks depends on a large number of parameters in a non-linear fashion. Suitable parameters of these are found by minimizing a 'loss functional', typically by stochastic gradient descent (SGD) or an advanced SGD-based algorithm. In a continuous time model for SGD with noise that follows the 'machine learning scaling', we show that in a certain noise regime, the optimization algorithm prefers 'flat' minima of the objective function in a sense which is different from the flat minimum selection of continuous time SGD with homogeneous noise.

cs.LG

Representation formulas and pointwise properties for Barron functions

We study the natural function space for infinitely wide two-layer neural networks with ReLU activation (Barron space) and establish different representation formulae. In two cases, we describe the space explicitly up to isomorphism. Using a convenient representation, we study the pointwise properties of two-layer networks and show that functions whose singular set is fractal or curved (for example distance functions from smooth submanifolds) cannot be represented by infinitely wide two-layer networks with finite path-norm. We use this structure theorem to show that the only $C^1$-diffeomorphisms which Barron space are affine. Furthermore, we show that every Barron function can be decomposed as the sum of a bounded and a positively one-homogeneous function and that there exist Barron functions which decay rapidly at infinity and are globally Lebesgue-integrable. This result suggests that two-layer neural networks may be able to approximate a greater variety of functions than commonly believed.

stat.ML

Some observations on high-dimensional partial differential equations with Barron data

We use explicit representation formulas to show that solutions to certain partial differential equations lie in Barron spaces or multilayer spaces if the PDE data lie in such function spaces. Consequently, these solutions can be represented efficiently using artificial neural networks, even in high dimension. Conversely, we present examples in which the solution fails to lie in the function space associated to a neural network under consideration.

math.AP