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We consider the primal and dual forms of the optimality conditions for PDE-contrained optimization problems arising in Data-Driven Computational Mechanics when specialized to the reaction-diffusion context. Starting with the continuous…

Numerical Analysis · Mathematics 2025-12-24 Ramon Codina , Roberto Federico Ausas , Pedro Balbão Bazon , Cristian Guillermo Gebhardt

This article presents a new finite element method for convection-diffusion equations by enhancing the continuous finite element space with a flux space for flux approximations that preserve the important mass conservation locally on each…

Numerical Analysis · Mathematics 2017-10-24 Yujie Liu , Junping Wang , Qingsong Zou

We present a novel energy-based numerical analysis of semilinear diffusion-reaction boundary value problems. Based on a suitable variational setting, the proposed computational scheme can be seen as an energy minimisation approach. More…

Numerical Analysis · Mathematics 2022-02-16 Mario Amrein , Pascal Heid , Thomas P. Wihler

Convection-diffusion-reaction equations model the conservation of scalar quantities. From the analytic point of view, solution of these equations satisfy under certain conditions maximum principles, which represent physical bounds of the…

Numerical Analysis · Mathematics 2023-05-24 Gabriel R. Barrenechea , Volker John , Petr Knobloch

In arXiv:2305.03945 [math.NA], a first-order optimization algorithm has been introduced to solve time-implicit schemes of reaction-diffusion equations. In this research, we conduct theoretical studies on this first-order algorithm equipped…

Numerical Analysis · Mathematics 2025-04-01 Shu Liu , Xinzhe Zuo , Stanley Osher , Wuchen Li

PDE-constrained optimal control problems require regularisation to ensure well-posedness, introducing small perturbations that make the solutions challenging to approximate accurately. We propose a finite element approach that couples both…

Numerical Analysis · Mathematics 2025-03-17 Jenny Power , Tristan Pryer

We consider a finite element approximation for a system consisting of the evolution of a closed planar curve by forced curve shortening flow coupled to a reaction-diffusion equation on the evolving curve. The scheme for the curve evolution…

Numerical Analysis · Mathematics 2016-07-07 John W. Barrett , Klaus Deckelnick , Vanessa Styles

We derive novel algorithms for optimization problems constrained by partial differential equations describing multiscale particle dynamics, including non-local integral terms representing interactions between particles. In particular, we…

Numerical Analysis · Mathematics 2021-09-09 Mildred Aduamoah , Benjamin D. Goddard , John W. Pearson , Jonna C. Roden

To ensure preservation of local or global bounds for numerical solutions of conservation laws, we constrain a baseline finite element discretization using optimization-based (OB) flux correction. The main novelty of the proposed methodology…

Numerical Analysis · Mathematics 2021-10-20 Falko Ruppenthal , Dmitri Kuzmin

The optimal control of a mechanical system is of crucial importance in many realms. Typical examples are the determination of a time-minimal path in vehicle dynamics, a minimal energy trajectory in space mission design, or optimal motion…

Optimization and Control · Mathematics 2008-10-09 S. Ober-Bloebaum , O. Junge , J. E. Marsden

We consider the reaction diffusion problem and present efficient ways to discretize and precondition in the singular perturbed case when the reaction term dominates the equation. Using the concepts of optimal test norm and saddle point…

Numerical Analysis · Mathematics 2021-04-26 Constantin Bacuta , Daniel Hayes , Jacob Jacavage

In this paper, we propose a PDE-based optimization motivated by the problem of microfluidic heat transfer to finding the optimal incompressible velocity fields in 2D domain. To solve this optimization model, we use spectral method to…

Dynamical Systems · Mathematics 2022-08-09 Yunfei Song

Topological optimization finds a material density distribution minimizing a functional of the solution of a partial differential equation (PDE), subject to a set of constraints (typically, a bound on the volume or mass of the material).…

Numerical Analysis · Mathematics 2017-05-23 G. V. Ovchinnikov , D. Zorin , I. V. Oseledets

An evolving surface finite element discretisation is analysed for the evolution of a closed two-dimensional surface governed by a system coupling a generalised forced mean curvature flow and a reaction--diffusion process on the surface,…

Numerical Analysis · Mathematics 2022-06-06 Charles M. Elliott , Harald Garcke , Balázs Kovács

In this paper we analyze an optimization problem with limited observation governed by a convection--diffusion--reaction equation. Motivated by a Schur complement approach, we arrive at continuous norms that enable analysis of well-posedness…

Numerical Analysis · Mathematics 2020-12-25 Kent-Andre Mardal , Jarle Sogn , Stefan Takacs

When applying the finite-differences method to numerically solve the one-dimensional diffusion equation, one must choose discretization steps $\Delta x$, $\Delta t$ in space and time, respectively. By applying large-deviation theory on the…

Statistical Mechanics · Physics 2024-04-09 Naftali R. Smith

The numerical approximation of an inverse problem subject to the convection--diffusion equation when diffusion dominates is studied. We derive Carleman estimates that are on a form suitable for use in numerical analysis and with explicit…

Numerical Analysis · Mathematics 2020-06-25 Erik Burman , Mihai Nechita , Lauri Oksanen

Patterns of different symmetries may arise after solution to reaction-diffusion equations. Hexagonal arrays, layers and their perturbations are observed in different models after numerical solution to the corresponding initial-boundary…

Soft Condensed Matter · Physics 2015-09-10 Vladimir Mityushev

Optimal prediction approximates the average solution of a large system of ordinary differential equations by a smaller system. We present how optimal prediction can be applied to a typical problem in the field of molecular dynamics, in…

Mathematical Physics · Physics 2008-11-15 Benjamin Seibold

We consider the numerical solution of coupled volume-surface reaction-diffusion systems having a detailed balance equilibrium. Based on the conservation of mass, an appropriate quadratic entropy functional is identified and an…

Numerical Analysis · Mathematics 2015-11-04 Herbert Egger , Klemens Fellner , Jan-Frederik Pietschmann , Bao Quoc Tang
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