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In this paper we present a shape optimization scheme which utilizes the alternating direction method of multipliers (ADMM) to approximate a direction of steepest descent in $W^{1,\infty}$. The followed strategy is a combination of the…

Optimization and Control · Mathematics 2025-08-26 Philip J. Herbert , Jose A. Pinzon Escobar , Martin Siebenborn

This article presents a new and efficient alternative to well established algorithms for molecular geometry optimization. The new approach exploits the approximate decoupling of molecular energetics in a curvilinear internal coordinate…

Materials Science · Physics 2007-05-23 Károly Németh , Matt Challacombe

Within this work, we consider optimization settings for nonlinear, nonstationary fluid-structure interaction. The problem is formulated in a monolithic fashion using the arbitrary Lagrangian-Eulerian framework to set-up the fluid-structure…

Numerical Analysis · Mathematics 2020-06-29 Thomas Wick , Winnifried Wollner

In this manuscript, we present a collective multigrid algorithm to solve efficiently the large saddle-point systems of equations that typically arise in PDE-constrained optimization under uncertainty, and develop a novel convergence…

Optimization and Control · Mathematics 2024-05-20 Gabriele Ciaramella , Fabio Nobile , Tommaso Vanzan

Numerical simulation of incompressible viscous flow, in particular in three space dimensions, continues to remain a challenging task. Space-time finite element methods feature the natural construction of higher order discretization schemes.…

Numerical Analysis · Mathematics 2022-10-07 Mathias Anselmann , Markus Bause

This paper is concerned with the derivation of necessary conditions for the optimal shape of a design problem governed by a non-smooth PDE. The main particularity thereof is the lack of differentiability of the nonlinearity in the state…

Optimization and Control · Mathematics 2024-09-24 Livia Betz

This paper solves the discretised multiphase flow equations using tools and methods from machine-learning libraries. The idea comes from the observation that convolutional layers can be used to express a discretisation as a neural network…

We present a general framework of designing efficient dynamic approximate algorithms for optimization on undirected graphs. In particular, we develop a technique that, given any problem that admits a certain notion of vertex sparsifiers,…

Data Structures and Algorithms · Computer Science 2020-05-06 Li Chen , Gramoz Goranci , Monika Henzinger , Richard Peng , Thatchaphol Saranurak

Topology optimization is concerned with the identification of optimal shapes of deformable bodies with respect to given target functionals. The focus of this paper is on a topology optimization problem for a time-evolving elastoplastic…

Analysis of PDEs · Mathematics 2021-06-21 Stefano Almi , Ulisse Stefanelli

A variational framework, initially developed for high-order mesh optimisation, is being extended for r-adaptation. The method is based on the minimisation of a functional of the mesh deformation. To achieve adaptation, elements of the…

Computational Geometry · Computer Science 2019-01-07 Julian Marcon , Michael Turner , David Moxey , Spencer J. Sherwin , Joaquim Peiró

We present and analyze a new finite element method for solving interface problems on a triangular grid. The method locally modifies a given triangulation such that the interfaces are accurately resolved and the maximal angle condition…

Numerical Analysis · Mathematics 2026-04-02 Peter Gangl , Ulrich Langer

In this work, we develop a computational framework that aims at simultaneously optimizing the shape and the slip velocity of an axisymmetric microswimmer suspended in a viscous fluid. We consider shapes of a given reduced volume that…

Optimization and Control · Mathematics 2024-05-02 Ruowen Liu , Hai Zhu , Hanliang Guo , Marc Bonnet , Shravan Veerapaneni

In this work, we present a novel approach for solving stochastic shape optimization problems. Our method is the extension of the classical stochastic gradient method to infinite-dimensional shape manifolds. We prove convergence of the…

Optimization and Control · Mathematics 2020-11-03 Caroline Geiersbach , Estefania Loayza-Romero , Kathrin Welker

This paper proposes an optimization-based framework for the analysis of multiperiod directed multihypergraphs aimed at identifying self-amplifying structures that sustain endogenous growth in complex systems. The approach captures the…

Optimization and Control · Mathematics 2026-04-15 Víctor Blanco , Ricardo Gázquez , Juan Francisco Ocaña-Rivas

In this work, we present a novel nonlocal nonlinear coarse grid approximation using a machine learning algorithm. We consider unsaturated and two-phase flow problems in heterogeneous and fractured porous media, where mathematical models are…

Numerical Analysis · Mathematics 2020-04-22 Maria Vasilyeva , Wing T. Leung , Eric T. Chung , Yalchin Efendiev , Mary Wheeler

When modeling scientific and industrial problems, geometries are typically modeled by explicit boundary representations obtained from computer-aided design software. Unfitted (also known as embedded or immersed) finite element methods offer…

Computational Engineering, Finance, and Science · Computer Science 2024-05-24 Pere A. Martorell , Santiago Badia

The computational cost of traditional Computational Fluid Dynamics-based Aerodynamic Shape Optimization severely restricts design space exploration. This paper introduces TripOptimizer, a fully differentiable deep learning framework for…

Machine Learning · Computer Science 2025-12-04 Parsa Vatani , Mohamed Elrefaie , Farhad Nazarpour , Faez Ahmed

PDE-constrained optimization is a field of numerical analysis that combines the theory of PDEs, nonlinear optimization and numerical linear algebra. Optimization problems of this kind arise in many physical applications, prominently in…

Numerical Analysis · Mathematics 2017-10-18 Gennadij Heidel , Andy Wathen

Mixing is an omnipresent process in a wide-range of industrial applications, which supports scientific efforts to devise techniques for optimising mixing processes under time and energy constraints. In this endeavor, we present a…

Fluid Dynamics · Physics 2020-06-15 Maximilian F. Eggl , Peter J. Schmid

We present an adaptive simulation framework for binary-fluid flows, based on the Abels-Garcke-Gr\"un Navier-Stokes-Cahn-Hilliard (AGG NSCH) diffuse-interface model. The adaptive-refinement procedure is guided by a two-level hierarchical…

Numerical Analysis · Mathematics 2022-09-28 T. H. B. Demont , G. J. van Zwieten , C. Diddens , E. H. van Brummelen