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Repeated computations on the same molecular system, but with different geometries, are often performed in quantum chemistry, for instance, in ab-initio molecular dynamics simulations or geometry optimizations. While many efficient…

Chemical Physics · Physics 2020-12-02 E. Polack , A. Mikhalev , Geneviève Dusson , B. Stamm , F. Lipparini

We consider a minimization scheme based on the Householder transport operator for the Grassman manifold, where a point on the manifold is represented by a m x n matrix with orthonormal columns. In particular, we consider the case where m >>…

Computational Physics · Physics 2012-07-11 K. Baarman , T. Eirola , V. Havu

Gaussian variational approximation is a popular methodology to approximate posterior distributions in Bayesian inference especially in high dimensional and large data settings. To control the computational cost while being able to capture…

Machine Learning · Computer Science 2021-04-07 Bingxin Zhou , Junbin Gao , Minh-Ngoc Tran , Richard Gerlach

We study the properties of stochastic approximation applied to a tame nondifferentiable function subject to constraints defined by a Riemannian manifold. The objective landscape of tame functions, arising in o-minimal topology extended to a…

Machine Learning · Computer Science 2025-08-13 Johannes Aspman , Vyacheslav Kungurtsev , Reza Roohi Seraji

We present two stochastic descent algorithms that apply to unconstrained optimization and are particularly efficient when the objective function is slow to evaluate and gradients are not easily obtained, as in some PDE-constrained…

Optimization and Control · Mathematics 2019-04-30 David Kozak , Stephen Becker , Alireza Doostan , Luis Tenorio

Nonlinear least-squares problems are a special class of unconstrained optimization problems in which their gradient and Hessian have special structures. In this paper, we exploit these structures and proposed a matrix-free algorithm with a…

Optimization and Control · Mathematics 2020-02-06 Aliyu Muhammed Awwal , Poom Kumam , Hassan Mohammad

In a Hilbert space $H$, in order to develop fast optimization methods, we analyze the asymptotic behavior, as time $t$ tends to infinity, of inertial continuous dynamics where the damping acts as a closed-loop control. The function $f: H…

Optimization and Control · Mathematics 2021-01-12 Hedy Attouch , Radu Ioan Bot , Ernö Robert Csetnek

Motivated by variational models in continuum mechanics, we introduce a novel algorithm to perform nonsmooth and nonconvex minimizations with linear constraints in Euclidean spaces. We show how this algorithm is actually a natural…

Analysis of PDEs · Mathematics 2015-03-20 Marco Artina , Massimo Fornasier , Francesco Solombrino

In this work we investigate the practicality of stochastic gradient descent and recently introduced variants with variance-reduction techniques in imaging inverse problems. Such algorithms have been shown in the machine learning literature…

Optimization and Control · Mathematics 2021-01-26 Junqi Tang , Karen Egiazarian , Mohammad Golbabaee , Mike Davies

We present a stochastic descent algorithm for unconstrained optimization that is particularly efficient when the objective function is slow to evaluate and gradients are not easily obtained, as in some PDE-constrained optimization and…

Optimization and Control · Mathematics 2024-07-08 David Kozak , Stephen Becker , Alireza Doostan , Luis Tenorio

We study integration and $L^2$-approximation in the worst-case setting for deterministic linear algorithms based on function evaluations. The underlying function space is a reproducing kernel Hilbert space with a Gaussian kernel of tensor…

Numerical Analysis · Mathematics 2025-12-08 Michael Gnewuch , Klaus Ritter , Robin Rüßmann

Optimization techniques are at the core of many scientific and engineering disciplines. The steepest descent methods play a foundational role in this area. In this paper we studied a generalized steepest descent method on Riemannian…

Optimization and Control · Mathematics 2025-02-28 Rashid A. , Amal A Samad

We study the geometry of flag manifolds under different embeddings into a product of Grassmannians. We show that differential geometric objects and operations -- tangent vector, metric, normal vector, exponential map, geodesic, parallel…

Optimization and Control · Mathematics 2022-12-02 Zehua Lai , Lek-Heng Lim , Ke Ye

We study minimisation problems in $L^\infty$ for general quasiconvex first order functionals, where the class of admissible mappings is constrained by the sublevel sets of another supremal functional and by the zero set of a nonlinear…

Analysis of PDEs · Mathematics 2022-02-25 Ed Clark , Nikos Katzourakis

We review different (reduced) models for thin structures using bending as principal mechanism to undergo large deformations. Each model consists in the minimization of a fourth order energy, potentially subject to a nonconvex constraint.…

Numerical Analysis · Mathematics 2023-05-25 Andrea Bonito , Diane Guignard , Angelique Morvant

Direct search methods are mainly designed for use in problems with no equality constraints. However, there are many instances where the feasible set is of measure zero in the ambient space and no mesh point lies within it. There are methods…

Optimization and Control · Mathematics 2018-01-23 David W Dreisigmeyer

Stochastic variance reduction algorithms have recently become popular for minimizing the average of a large, but finite, number of loss functions. In this paper, we propose a novel Riemannian extension of the Euclidean stochastic variance…

Machine Learning · Computer Science 2017-04-11 Hiroyuki Kasai , Hiroyuki Sato , Bamdev Mishra

In this paper, we aim to study non-convex minimization problems via second-order (in-time) dynamics, including a non-vanishing viscous damping and a geometric Hessian-driven damping. Second-order systems that only rely on a viscous damping…

Optimization and Control · Mathematics 2025-06-06 Rodrigo Maulen-Soto , Jalal Fadili , Peter Ochs

In this paper, we first study nonsmooth steepest descent method for nonsmooth functions defined on Hilbert space and establish the corresponding algorithm by proximal subgradients. Then, we use this algorithm to find stationary points for…

Optimization and Control · Mathematics 2015-02-25 Zhou Wei , Qing Hai He

We consider minimization of a smooth nonconvex function with inexact oracle access to gradient and Hessian (without assuming access to the function value) to achieve approximate second-order optimality. A novel feature of our method is that…

Optimization and Control · Mathematics 2024-03-27 Shuyao Li , Stephen J. Wright