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In the simulation of biological molecules, it is customary to impose constraints on the fastest degrees of freedom to increase the time step. The evaluation of the involved constraint forces must be performed in an efficient manner, for…

Computational Physics · Physics 2019-11-01 Pablo García-Risueño

Systems subjected to holonomic constraints follow quite complicated dynamics that could not be described easily with Hamiltonian or Lagrangian dynamics. The influence of holonomic constraints in equations of motions is taken into account by…

Statistical Mechanics · Physics 2010-09-08 Martial Mazars

We present a practical numerical method for evaluating the Lagrange multipliers necessary for maintaining a constrained linear geometry of particles in dynamical simulations. The method involves no iterations, and is limited in accuracy…

Materials Science · Physics 2010-12-16 Horacio Tapia-McClung , Niels Grønbech-Jensen

This paper presents a numerical method for the simulation of multiscale materials composed of an elastic matrix and slender active inclusions. The setting is motivated by the modeling of vascularized tissues and by problems arising in the…

Numerical Analysis · Mathematics 2025-08-19 Camilla Belponer , Alfonso Caiazzo , Luca Heltai

This paper studies matrix constrained polynomial optimization. We investigate how to get explicit expressions for Lagrange multiplier matrices from the first order optimality conditions. The existence of these expressions can be shown under…

Optimization and Control · Mathematics 2026-01-13 Lei Huang , Jiawang Nie , Jiajia Wang , Lingling Xie

We provide a correction to the sufficient conditions under which closed-form expressions for the optimal Lagrange multiplier are provided in arXiv:2112.13138 [math.OC]. We first present a simple counterexample where the original conditions…

Optimization and Control · Mathematics 2025-03-13 Henri Lefebvre , Anirudh Subramanyam

Lagrangian relaxation stands among the most efficient approaches for solving a Mixed Integer Linear Programs (MILP) with difficult constraints. Given any duals for these constraints, called Lagrangian Multipliers (LMs), it returns a bound…

Machine Learning · Computer Science 2024-10-21 Francesco Demelas , Joseph Le Roux , Mathieu Lacroix , Axel Parmentier

This paper proposes tight semidefinite relaxations for polynomial optimization. The optimality conditions are investigated. We show that generally Lagrange multipliers can be expressed as polynomial functions in decision variables over the…

Optimization and Control · Mathematics 2018-04-09 Jiawang Nie

In this paper, we introduce a Lagrange multiplier approach to construct linearly implicit energy-preserving schemes of arbitrary order for general Hamiltonian PDEs. Unlike the widely used auxiliary variable methods, this novel approach does…

Numerical Analysis · Mathematics 2026-01-21 Yonghui Bo , Yushun Wang

Reasoning about the physical world requires models that are endowed with the right inductive biases to learn the underlying dynamics. Recent works improve generalization for predicting trajectories by learning the Hamiltonian or Lagrangian…

Machine Learning · Computer Science 2020-10-27 Marc Finzi , Ke Alexander Wang , Andrew Gordon Wilson

Many physical problems involving heterogeneous spatial scales, such as the flow through fractured porous media, the study of fiber-reinforced materials, or the modeling of the small circulation in living tissues -- just to mention a few…

Numerical Analysis · Mathematics 2024-01-02 Luca Heltai , Paolo Zunino

Aligning theoretical atomistic structural models of materials with available experimental data presents a significant challenge for disordered systems. The configurational space to navigate is vast, and faithful realizations require large…

Materials Science · Physics 2025-09-29 Tigany Zarrouk , Miguel A. Caro

A novel finite element formulation for gradient-regularized damage models is presented which allows for the robust, efficient, and mesh-independent simulation of damage phenomena in engineering and biological materials. The paper presents a…

Computational Engineering, Finance, and Science · Computer Science 2022-11-16 Johannes Riesselmann , Daniel Balzani

We seek to impose linear, equality constraints in feedforward neural networks. As top layer predictors are usually nonlinear, this is a difficult task if we seek to deploy standard convex optimization methods and strong duality. To overcome…

Machine Learning · Computer Science 2023-01-10 Anand Rangarajan , Pan He , Jaemoon Lee , Tania Banerjee , Sanjay Ranka

We have presented some practical consequences on the molecular-dynamics simulations arising from the numerical algorithm published recently in paper Int. J. Mod. Phys. C 16, 413 (2005). The algorithm is not a finite-difference method and…

Exactly Solvable and Integrable Systems · Physics 2015-06-26 B. Brzostowski , M. R. Dudek , B. Grabiec , T. Nadzieja

We study resonances of nonlinear systems of differential equations, including but not limited to the equations of motion of a particle moving in a potential. We use the calculus of variations to determine the minimal additive forcing…

Chaotic Dynamics · Physics 2009-08-27 Vadas Gintautas , Alfred W. Hubler

Constrained optimization problems exist in many domains of science, such as thermodynamics, mechanics, economics, etc. These problems are classically solved with the help of the Lagrange multipliers and the Lagrangian function. However, the…

Optimization and Control · Mathematics 2021-01-12 Cyril Cayron

In the seminal book M\'echanique analitique, Lagrange, 1788, the notion of a Lagrange multiplier was first introduced in order to study a smooth minimization problem subject to equality constraints. The idea is that, under some regularity…

Optimization and Control · Mathematics 2024-02-12 Gabriel Haeser , Daiana Oliveira dos Santos

A non-overlapping domain decomposition algorithm is proposed to solve the linear system arising from mixed finite element approximation of incompressible Stokes equations. A continuous finite element space for the pressure is used. In the…

Numerical Analysis · Mathematics 2012-04-10 Jing Li , Xuemin Tu

Compressed Sensing (CS) encompasses a broad array of theoretical and applied techniques for recovering signals, given partial knowledge of their coefficients. Its applications span various fields, including mathematics, physics,…

Optimization and Control · Mathematics 2024-01-18 Gianluca Giacchi , Bastien Milani , Benedetta Franchieschiello
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