Improved high-index saddle dynamics for finding saddle points and solution landscape

TL;DR

This paper introduces an improved high-index saddle dynamics method that enhances convergence to saddle points and enables complete construction of solution landscapes, integrating Morse theory and gradient flow concepts.

Contribution

The paper proposes an improved iHiSD method with proven convergence properties and demonstrates its ability to fully construct solution landscapes, addressing previous limitations.

Findings

Proven stable and nonlocal convergence of iHiSD to saddle points.

Complete construction of solution landscapes with finite stationary points.

Numerical experiments confirm the effectiveness of the proposed method.

Abstract

We present an improved high-index saddle dynamics (iHiSD) for finding saddle points and constructing solution landscapes, which is a crossover dynamics from gradient flow to traditional HiSD such that the Morse theory for gradient flow could be involved. We propose analysis for the reflection manifold in iHiSD, and then prove its stable and nonlocal convergence from outside of the region of attraction to the saddle point, which resolves the dependence of the convergence of HiSD on the initial value. We then present and analyze a discretized iHiSD that inherits these convergence properties. Furthermore, based on the Morse theory, we prove that any two saddle points could be connected by a sequence of trajectories of iHiSD. Theoretically, this implies that a solution landscape with a finite number of stationary points could be completely constructed by means of iHiSD, which partly answers the completeness issue of the solution landscape for the first time and indicates the necessity of integrating the gradient flow in HiSD. Different methods are compared by numerical experiments to substantiate the effectiveness of the iHiSD method.