Cédric M. Campos

Cédric M. Campos, Sina Ober-Blöbaum, Emmanuel Trélat

In recent years, much effort in designing numerical methods for the simulation and optimization of mechanical systems has been put into schemes which are structure preserving. One particular class are variational integrators which are momentum preserving and symplectic. In this article, we develop two high order variational integrators which distinguish themselves in the dimension of the underling space of approximation and we investigate their application to finite-dimensional optimal control problems posed with mechanical systems. The convergence of state and control variables of the approximated problem is shown. Furthermore, by analyzing the adjoint systems of the optimal control problem and its discretized counterpart, we prove that, for these particular integrators, dualization and discretization commute.

Cédric M. Campos, David Martín de Diego, José Torrente

Polyak's Heavy Ball (PHB; Polyak, 1964), a.k.a. Classical Momentum, and Nesterov's Accelerated Gradient (NAG; Nesterov, 1983) are well-established momentum-descent methods for optimization. Although the latter generally outperforms the former, primarily, generalizations of PHB-like methods to nonlinear spaces have not been sufficiently explored in the literature. In this paper, we propose a generalization of NAG-like methods for Lie group optimization. This generalization is based on the variational one-to-one correspondence between classical and accelerated momentum methods (Campos et al., 2023). We provide numerical experiments for chosen retractions on the group of rotations based on the Frobenius norm and the Rosenbrock function to demonstrate the effectiveness of our proposed methods, and that align with results of the Euclidean case, that is, a faster convergence rate for NAG.

Cédric M. Campos, Alejandro Mahillo, David Martín de Diego

Many of the new developments in machine learning are connected with gradient-based optimization methods. Recently, these methods have been studied using a variational perspective. This has opened up the possibility of introducing variational and symplectic methods using geometric integration. In particular, in this paper, we introduce variational integrators which allow us to derive different methods for optimization. Using both, Hamilton's and Lagrange-d'Alembert's principle, we derive two families of respective optimization methods in one-to-one correspondence that generalize Polyak's heavy ball and the well known Nesterov accelerated gradient method, the second of which mimics the behavior of the first reducing the oscillations of classical momentum methods. However, since the systems considered are explicitly time-dependent, the preservation of symplecticity of autonomous systems occurs here solely on the fibers. Several experiments exemplify the result.

Cédric M. Campos, J. M. Sanz-Serna

The implementation of multi-stage splitting integrators is essentially the same as the implementation of the familiar Strang/Verlet method. Therefore multi-stage formulas may be easily incorporated into software that now uses the Strang/Verlet integrator. We study in detail the two-parameter family of palindromic, three-stage splitting formulas and identify choices of parameters that may outperform the Strang/Verlet method. One of these choices leads to a method of effective order four suitable to integrate in time some partial differential equations. Other choices may be seen as perturbations of the Strang method that increase efficiency in molecular dynamics simulations and in Hybrid Monte Carlo sampling.

Cédric M. Campos, J. M. Sanz-Serna

We study a method, Extra Chance Generalized Hybrid Monte Carlo, to avoid rejections in the Hybrid Monte Carlo method and related algorithms. In the spirit of delayed rejection, whenever a rejection would occur, extra work is done to find a fresh proposal that, hopefully, may be accepted. We present experiments that clearly indicate that the additional work per sample carried out in the extra chance approach clearly pays in terms of the quality of the samples generated.