Dynamics of Gradient Descent with Large Step Size Near a Manifold of Flat Minima
Authors: Lachlan Ewen MacDonald, René Vidal
Organizations: Innovation in Data Engineering and Science (IDEAS) · University of Pennsylvania Pennsylvania, PA 19104
Abstract
An important quantity in the theory of gradient descent (GD) is the \emph{sharpness}, defined as the largest eigenvalue of the objective Hessian. Classical analyses typically require the step size to be uniformly smaller than twice the reciprocal of the sharpness, but this condition is frequently violated in the training of deep neural networks. Recent work bridges this gap in the setting of overparametrised least-squares with a \emph{single scalar output}, providing a normal form for large-step GD in a neighbourhood of an \emph{isolated} flat minimum and establishing three corresponding convergence results. In this paper, we extend this theory in two directions: (1) to overparametrised least-squares with \emph{vector-valued outputs} (including regression with arbitrarily many observations), and (2) to a neighbourhood of a \emph{manifold} of flat minima (which we show is essential for applications such as matrix factorisation). We generalise both the normal form and all three convergence theorems of \cite{macdonaldeos} to this broader setting, overcoming several technical challenges, including the solution of a singular partial differential equation via a novel method that may be of independent interest. We further show that our framework applies to deep matrix factorisation under mild assumptions, yielding several new structural results. In particular, we prove that the set of flat minima forms a fibre bundle over a product of spheres, and that the sharpness is Morse-Bott along this manifold.
The training of neural networks often entails objective functions that are not globally L-smooth. For these functions, it is both theoretically and practically difficult to reply to the question: what is the largest possible step size that ensures the convergence of gradient descent (GD)? We address this longstanding open question in deep learning by providing a unifying definition of "large" step sizes that requires only local Lipschitz (or even Hölder) continuity of the gradient. We design first-order adaptive methods that provably yield large step sizes and show that they operate at the edge of stability (EoS) right from the start of the training. In particular, the loss decreases nonmonotonically and the product between the step size and sharpness, i.e., the largest eigenvalue of the Hessian, stays above the EoS threshold of 2 throughout training. Using our method, we are also able to minimize the sharpness all the way down to its global minimum. Contrary to expectation, we find that encountering globally-flat regions too early in the training may both slow down convergence and jeopardize the generalization ability of the network. Exploiting a self-stabilization argument, we allow GD to enter slightly sharper valleys and turn unsuccessful training runs into very successful ones.
A widely held intuition in deep learning is that stochastic gradient descent (SGD) implicitly favors flat minima and that flat minima generalize better, but standard Euclidean measures of flatness such as the trace or maximum eigenvalue of the loss Hessian are not invariant under reparametrizations that preserve the network function, which undermines the theoretical foundations of this narrative. In this study we resolve this issue by grounding flatness in the Riemannian geometry of the statistical manifold induced by the Fisher Information Matrix (FIM). We define Riemannian sharpness mathematically and prove that it is invariant under smooth, function-preserving reparametrizations, which directly addresses the critique of Dinh et al. in the paper ``Sharp minima can generalize for deep nets''.We note that this invariance is a property of the true FIM; the diagonal empirical estimator used in practice (and in all experiments below) inherits invariance only approximately, and exact invariance under arbitrary reparametrizations would require structured estimators such as K-FAC. We formalize the gradient noise of mini-batch SGD as having a covariance structure proportional to the FIM, derive the stationary distribution of the resulting stochastic differential equation, and then show that the probability mass is exponentially concentrated at Riemannian-flat minima. A PAC-Bayes generalization bound controlled explicitly by SR formally links this geometric bias to test performance. Our experiments on MNIST and CIFAR-10 confirm that SR reliably tracks generalization in ways that Euclidean sharpness does not, and that its scaling with η/B matches the theoretical predictions. Together these results provide a rigorous, reparametrization-invariant account of why flat minima generalize.
The Edge of Stability (EoS) phenomenon, where gradient descent operates with sharpness exceeding the classical convergence threshold yet the loss decreases over long timescales, is ubiquitous in modern deep learning but remains poorly understood in realistic settings. Prior rigorous analyses have been largely confined to scalar or low-dimensional losses with specific structural forms. In this work, we develop a bifurcation theory framework for gradient descent on the edge of stability that applies directly to overparameterized neural networks. By decomposing the training dynamics into components normal and tangent to the manifold of minimizers, we show that stable EoS training arises from a flip bifurcation in the normal direction, governed by the sign of the first Lyapunov coefficient, while the tangent dynamics drift toward regions of decreasing sharpness. Under mild spectral and geometric assumptions on the loss landscape, we prove convergence to the minimizing manifold when training at the EoS threshold. As a corollary, we recover and unify prior results: we show that the product-stability condition of Gan (2026) is an instance of our framework.