Born Discrete, Made Smooth: Variational Formulation of Shallow Neural Networks
Authors: Matej Benko, Pierre Bousquet, Iwona Chlebicka, Błażej Miasojedow
Organizations: Institute of Mathematics, Faculty of Mechanical Engineering, Brno University of Technology · Technická 2896/2, 616 69, Brno, Czech Republic · Université de Toulouse, INSA Toulouse, CNRS, IMT, F-31062 Toulouse Cedex 9, France · University of Warsaw · ul. Banacha 2, 02-097 Warsaw, Poland
Abstract
Although neural networks are remarkably effective, their underlying optimization principles remain theoretically elusive, often characterized by non-convex landscapes and stochastic heuristics. In this work, we propose a paradigm shift by replacing the discrete training problem of shallow neural networks with a well-posed continuum variational surrogate. We identify a family of λ-convex functionals over parameter densities in weighted Sobolev spaces and prove that these variational problems are globally well-posed, stable, and exhibit unexpected almost C3 regularity. Unlike existing Wasserstein-based or Mean-Field approaches, which often face limited regularity and discretization challenges, our formulation provides direct access to elliptic regularity and convex analysis. This allows us to prove that the optimal parameter density can be obtained by solving a single linear system, bypassing iterative optimization entirely. We establish explicit generalization error controls at a rate of 1/α relative to the regularization parameter, and prove that finite-width networks of size N achieve the continuum optimum at an O(1/N) rate. This perspective bridges the gap between the Neural Tangent Kernel (NTK) and feature-learning regimes, providing a principled framework for understanding over-parameterization through the lens of variational calculus.
Understanding the generalization performance of over-parameterized neural networks has become a central topic in deep learning theory. While recent advances, particularly works under the Neural Tangent Kernel (NTK) regime, have shed light on the behavior of shallow architectures, the statistical generalization properties of deep neural networks (DNNs), especially in regression tasks, remain far less understood. In this paper, we make significant progress toward closing this gap by providing a comprehensive generalization analysis of DNNs trained using gradient-based methods. First, we establish, for the first time, a crucial connection between the learning dynamics of a DNN with smooth activation functions trained via gradient-based methods and those of kernel methods, showing that gradient-based methods on over-parameterized DNNs can fully inherit the favorable learning dynamics of their kernel counterparts. Building on this connection and the well-established optimality of kernel methods, we derive the first known minimax-optimal rates for the excess population risk of both gradient descent (GD) and stochastic gradient descent (SGD), under the assumption that network width scales polynomially with the sample size. Our results demonstrate that, with sufficient width, DNNs trained by GD or SGD can achieve generalization performance comparable to kernel-based methods.
One of the fundamental challenges in the deep learning community is to theoretically understand how well a deep neural network generalizes to unseen data. However, current approaches often yield generalization bounds that are either too loose to be informative of the true generalization error or only valid to the compressed nets. In this study, we present a simple yet non-vacuous generalization bound from the optimization perspective. We achieve this goal by leveraging that the hypothesis set accessed by stochastic gradient algorithms is essentially fractal-like and thus can derive a tighter bound over the algorithm-dependent Rademacher complexity. The main argument rests on modeling the discrete-time recursion process via a continuous-time stochastic differential equation driven by fractional Brownian motion. Numerical studies demonstrate that our approach is able to yield plausible generalization guarantees for modern neural networks such as ResNet and Vision Transformer, even when they are trained on a large-scale dataset (e.g. ImageNet-1K).
Recent progress has been made in understanding the statistical generalization performance of gradient descent methods for overparameterized neural networks within the neural tangent kernel (NTK) regime. However, most of the existing work on regression problems is limited to shallow network architectures, leaving a notable gap in the theory of deep neural networks. This paper addresses this gap by presenting a comprehensive generalization analysis for deep ReLU networks trained using gradient descent (GD) and stochastic gradient descent (SGD). Specifically, we establish the first known minimax-optimal rates of excess population risk for both GD and SGD with deep ReLU networks, under the assumption that the network width scales polynomially with respect to the network depth and training sample size. Our results demonstrate that with sufficient width, gradient descent methods for deep ReLU networks can achieve optimal generalization rates on par with kernel methods.