Locating saddle points using gradient extremals on manifolds adaptively revealed as point clouds

Author:

Georgiou A.1ORCID,Vandecasteele H.2ORCID,Bello-Rivas J. M.3ORCID,Kevrekidis I.13ORCID

Affiliation:

1. Department of Chemical and Biomolecular Engineering, Johns Hopkins University 1 , Baltimore, Maryland 21218, USA

2. Department of Computer Science, KU Leuven 2 , 3001 Leuven, Belgium

3. Department of Applied Mathematics and Statistics, Johns Hopkins University 3 , Baltimore, Maryland 21218, USA

Abstract

Steady states are invaluable in the study of dynamical systems. High-dimensional dynamical systems, due to separation of time scales, often evolve toward a lower dimensional manifold M. We introduce an approach to locate saddle points (and other fixed points) that utilizes gradient extremals on such a priori unknown (Riemannian) manifolds, defined by adaptively sampled point clouds, with local coordinates discovered on-the-fly through manifold learning. The technique, which efficiently biases the dynamical system along a curve (as opposed to exhaustively exploring the state space), requires knowledge of a single minimum and the ability to sample around an arbitrary point. We demonstrate the effectiveness of the technique on the Müller–Brown potential mapped onto an unknown surface (namely, a sphere). Previous work employed a similar algorithmic framework to find saddle points using Newton trajectories and gentlest ascent dynamics; we, therefore, also offer a brief comparison with these methods.

Funder

Air Force Office of Scientific Research

U.S. Department of Energy

National Cancer Institute

Fonds Wetenschappelijk Onderzoek

Publisher

AIP Publishing

Subject

Applied Mathematics,General Physics and Astronomy,Mathematical Physics,Statistical and Nonlinear Physics

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