Organizations: Centrale Nantes, Nantes Universit´e, Laboratoire de Math´ematiques Jean Leray UMR CNRS 6629
Abstract
We consider the problem of approximating a function by an element of a nonlinear manifold which admits a differentiable parametrization, typical examples being neural networks with differentiable activation functions or tensor networks. Natural gradient descent (NGD) for the optimization of a loss function can be seen as a preconditioned gradient descent where updates in the parameter space are driven by a functional perspective. In a spirit similar to Newton's method, a NGD step uses, instead of the Hessian, the Gram matrix of the generating system of the tangent space to the approximation manifold at the current iterate, with respect to a suitable metric. This corresponds to a locally optimal update in function space, following a projected gradient onto the tangent space to the manifold. Still, both gradient and natural gradient descent methods get stuck in local minima. Furthermore, when the model class is a nonlinear manifold or the loss function is not ideally conditioned (e.g., the KL-divergence for density estimation, or a norm of the residual of a partial differential equation in physics informed learning), even the natural gradient might yield non-optimal directions at each step. This work introduces a natural version of classical inertial dynamic methods like Heavy-Ball or Nesterov and show how it can improve the learning process when working with nonlinear model classes.
Energy natural gradient descent (ENGD) aligns parameter updates with the curvature of an underlying function-space energy, but existing formulations assume an unconstrained Euclidean parameter domain. We introduce \EMNGDfull{}, a manifold optimization framework for physics-informed and variational neural PDE solvers whose parameters lie on a Riemannian manifold. EMNGD restricts the energy-induced quadratic model to feasible tangent directions and uses retractions to preserve parameter constraints throughout optimization. Under coercivity, we prove that the push-forward of the undamped EMNGD direction is the best feasible approximation to the function-space Newton vector in the energy metric. We establish coordinate invariance, exact reduction to ENGD in Euclidean space, global first-order convergence with Armijo backtracking, and robustness to inexact tangent solves. For quadratic residual energies and generalized Gauss--Newton pullbacks, the Woodbury identity transfers the tangent system to sample space without changing the direction. Nyström approximation provides scalable sample-space solves with controlled direction error and recovers the exact direction after iterative convergence. On the evaluated neural PDE benchmarks, EMNGD achieves higher accuracy and faster convergence than the compared state-of-the-art baselines. Woodbury preserves the EMNGD direction, while scalable-solver diagnostics quantify the accuracy--cost trade-off of preconditioning and residual subsampling.
High-capacity associative memories based on Kernel Logistic Regression (KLR) exhibit a "Ridge of Optimization" characterized by extreme stability and a highly skewed weight spectrum. However, the dynamical process by which learning converges to this critical regime has remained unclear. This paper provides a geometric analysis of the learning trajectories on the statistical manifold of a KLR-trained Hopfield network. By comparing the paths of Gradient Descent (GD) and Natural Gradient Descent (NGD), we elucidate the mechanisms governing the optimization process. Our analysis reveals that learning on the Ridge proceeds in two distinct phases. We show that the extreme curvature of the Ridge causes standard GD to follow a highly oscillatory, non-geodesic path. In stark contrast, NGD explicitly corrects for this geometry, following the ideal geodesic path and completely overcoming the instabilities faced by GD. We demonstrate experimentally that NGD not only converges significantly faster but also achieves a solution with superior generalization performance. These results establish that the highly structured geometry of the Ridge is optimally suited for information-geometric optimization, providing a new perspective on the interplay between learning dynamics and emergent representation geometry.
The Gauss-Newton matrix is widely viewed as a positive semidefinite approximation of the Hessian, yet mounting empirical evidence shows that Gauss-Newton descent outperforms Newton's method. We adopt a function space perspective to analyze this phenomenon. We show that the generalized Gauss-Newton (GGN) matrix projects the Newton direction in function space onto the model's tangent space, while a Jacobian-only variant obtained by applying the least squares Gauss-Newton matrix to non-least squares losses projects the function space loss gradient onto this same tangent space. Both projections eliminate distortions from the model's parameterization. Specifically, the evolution of the prediction-target mismatch depends on the model's parameterization through the matrix JJ⊤ where J is the Jacobian of the model with respect to its parameters. The projections effectively replace JJ⊤ with the identity. We call this effect error whitening. Once the parameterization is removed, the prediction-target mismatch evolves according to dynamics dictated by the structure of the loss and the projection produced by the optimizer. Error whitening is a special property of Gauss-Newton descent that rigorously distinguishes it from Newton's method. We empirically demonstrate that Gauss-Newton optimizers follow the theoretically predicted function space dynamics and outperforms Newton's method, Adam, and Muon across case studies spanning supervised learning, physics-informed deep learning, and approximate dynamic programming.
Maricela Best McKay, Nathan P. Lawrence, Brian Wetton +1