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Sella, an Open-Source Automation-Friendly Molecular Saddle Point Optimizer.

Journal of Chemical Theory and Computation, 2022
We present a new algorithm for the optimization of molecular structures to saddle points on the potential energy surface using a redundant internal coordinate system.
E. Hermes   +3 more
semanticscholar   +1 more source

Decentralized saddle point problems via non-Euclidean mirror prox

Optimization Methods and Software, 2021
We consider distributed convex-concave saddle point problems over arbitrary connected undirected networks and propose a decentralized distributed algorithm for their solution.
A. Rogozin   +5 more
semanticscholar   +1 more source

Application of the saddle-point method to strong-laser-field ionization

Journal of Physics A: Mathematical and Theoretical, 2020
The quantum-mechanical transition amplitude of an ionization process induced by a strong laser field is typically expressed in the form of an integral over the ionization time of a highly oscillatory function.
A. Jašarević   +4 more
semanticscholar   +1 more source

A Modified Saddle-Point Dynamics for Distributed Convex Optimization on General Directed Graphs

IEEE Transactions on Automatic Control, 2020
In this technical note, we show that the continuous-time saddle-point distributed convex optimization dynamics can be cast as a distributed control system, where each agent implements a control input using an estimate of the average state, generated ...
B. Touri, B. Gharesifard
semanticscholar   +1 more source

Asymptotic stability of saddle points under the saddle-point dynamics

2015 American Control Conference (ACC), 2015
This paper considers continuously differentiable functions of two vector variables that have (possibly a continuum of) min-max saddle points. We study the asymptotic convergence properties of the associated saddle-point dynamics (gradient-descent in the first variable and gradient-ascent in the second one).
Ashish Cherukuri, Jorge E. Cortes
openaire   +2 more sources

Saddle point approximation [PDF]

open access: possible, 2009
We extend known saddlepoint tail probability approximations to multivariate cases, including multivariate conditional cases. Our first approximation applies to both continuous and lattice variables, and requires the existence of a cumulant generating function.
openaire   +1 more source

Lower complexity bounds of first-order methods for convex-concave bilinear saddle-point problems

Mathematical programming, 2018
On solving a convex-concave bilinear saddle-point problem (SPP), there have been many works studying the complexity results of first-order methods. These results are all about upper complexity bounds, which can determine at most how many iterations would
Yuyuan Ouyang, Yangyang Xu
semanticscholar   +1 more source

The Saddle Point Alternative

American Journal of Mathematics, 1995
Rabinowitz saddle point theorem is a very useful tool in proving the existence of various semilinear variational equations which are the Euler equations of noncoercive functionals. Its applicability depends upon the verification of a compactness condition referred as Palais-Smale condition. The present paper is an extension of the saddle point theorem,
openaire   +2 more sources

Computation of saddle point of attachment

22nd Fluid Dynamics, Plasma Dynamics and Lasers Conference, 1991
Two numerical codes are used for a wide range of Mach numbers, Reynolds numbers, grid sizes, and numbers of grid points to confirm the existence of the saddle point of attachment in the flow before an obstacle. The computational results near the critical point are theoretically analyzed.
Chao Ho Sung   +2 more
openaire   +2 more sources

Local Saddle Point Optimization: A Curvature Exploitation Approach

International Conference on Artificial Intelligence and Statistics, 2018
Gradient-based optimization methods are the most popular choice for finding local optima for classical minimization and saddle point problems. Here, we highlight a systemic issue of gradient dynamics that arise for saddle point problems, namely the ...
Leonard Adolphs   +3 more
semanticscholar   +1 more source

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