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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

We consider the simulation of electromagnetic scattering by single and multiple isotropic homogeneous dielectric particles using boundary integral equations. Galerkin discretizations of the classical Poggio-Miller-Chang-Harrington-Wu-Tsai…

Numerical Analysis · Mathematics 2020-05-14 Antigoni Kleanthous , Timo Betcke , David P. Hewett , Matthew W. Scroggs , Anthony J. Baran

We present a scalable approach to solve a class of elliptic partial differential equation (PDE)-constrained optimization problems with bound constraints. This approach utilizes a robust full-space interior-point (IP)-Gauss-Newton…

Optimization and Control · Mathematics 2024-10-22 Tucker Hartland , Cosmin G. Petra , Noemi Petra , Jingyi Wang

We establish a new iterative method for solving a class of large and sparse linear systems of equations with three-by-three block coefficient matrices having saddle point structure. Convergence properties of the proposed method are studied…

Numerical Analysis · Mathematics 2021-09-13 Hamed Aslani , Davod Khojasteh Salkuyeh , Fatemeh Panjeh Ali Beik

In this work, we propose a simple yet generic preconditioned Krylov subspace method for a large class of nonsymmetric block Toeplitz all-at-once systems arising from discretizing evolutionary partial differential equations. Namely, our main…

Numerical Analysis · Mathematics 2023-08-11 Sean Hon , Po Yin Fung , Jiamei Dong , Stefano Serra-Capizzano

We propose a new hybrid topology optimization algorithm based on multigrid approach that combines the parallelization strategy of CPU using OpenMP and heavily multithreading capabilities of modern Graphics Processing Units (GPU). In…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-01 Arya Prakash Padhi , Souvik Chakraborty , Anupam Chakrabarti , Rajib Chowdhury

This work proposes an original preconditioner that couples the Constrained Pressure Residual (CPR) method with block preconditioning for the efficient solution of the linearized systems of equations arising from fully implicit multiphase…

Numerical Analysis · Mathematics 2023-03-24 Stefano Nardean , Massimiliano Ferronato , Ahmad Abushaikha

We introduce a finite element method for numerical upscaling of second order elliptic equations with highly heterogeneous coefficients. The method is based on a mixed formulation of the problem and the concepts of the domain decomposition…

Numerical Analysis · Mathematics 2013-10-11 Yalchin Efendiev , Raytcho Lazarov , Ke Shi

Elastomeric mechanical metamaterials exhibit unconventional behaviour, emerging from their microstructures often deforming in a highly nonlinear and unstable manner. Such microstructural pattern transformations lead to non-local behaviour…

Soft Condensed Matter · Physics 2025-02-18 S. O. Sperling , T. Guo , R. H. J. Peerlings , V. G. Kouznetsova , M. G. D. Geers , O. Rokoš

Determining the energy gap in a quantum many-body system is critical to understanding its behavior and is important in quantum chemistry and condensed matter physics. The challenge of determining the energy gap requires identifying both the…

Quantum Physics · Physics 2026-03-04 Mengzhen Ren , Yu-Cheng Chen , Ching-Jui Lai , Min-Hsiu Hsieh , Alice Hu

We develop an iterative diagonalization scheme in solving a one-body self-consistent-field equation in the transcorrelated (TC) method using a plane-wave basis set. Non-Hermiticity in the TC method is well handled with a block-Davidson…

Materials Science · Physics 2016-03-15 Masayuki Ochi , Yoshiyuki Yamamoto , Ryotaro Arita , Shinji Tsuneyuki

A new hybrid mixed discontinuous Galerkin finite element (HMDGFE) method is constructed for incompressible miscible displacement problem. In this method, the hybrid mixed finite element (HMFE) procedure is considered to solve pressure and…

Numerical Analysis · Mathematics 2022-09-07 Jiansong Zhang , Yun Yu , Jiang Zhu , Rong Qin , Yue Yu , Maosheng Jiang

In this paper we introduce an algebraic recursive multilevel incomplete factorization preconditioner, based on a distributed Schur complement formulation, for solving general linear systems. The novelty of the proposed method is to combine…

Numerical Analysis · Mathematics 2015-09-23 Yiming Bu , Bruno Carpentieri , Zhaoli Shen , Tingzhu Huang

In this paper, we address the efficient numerical solution of linear and quadratic programming problems, often of large scale. With this aim, we devise an infeasible interior point method, blended with the proximal method of multipliers,…

Numerical Analysis · Mathematics 2021-01-18 Luca Bergamaschi , Jacek Gondzio , Ángeles Martínez , John W. Pearson , Spyridon Pougkakiotis

Variational hybrid quantum-classical algorithms are promising candidates for near-term implementation on quantum computers. In these algorithms, a quantum computer evaluates the cost of a gate sequence (with speedup over classical cost…

Quantum Physics · Physics 2019-06-27 Ryan LaRose , Arkin Tikku , Étude O'Neel-Judy , Lukasz Cincio , Patrick J. Coles

We study preconditioned gradient-based optimization methods where the preconditioning matrix has block-diagonal form. Such a structural constraint comes with the advantage that the update computation is block-separable and can be…

Machine Learning · Computer Science 2020-12-08 Celestine Mendler-Dünner , Aurelien Lucchi

Quantum simulation of quantum chemistry is one of the most compelling applications of quantum computing. It is of particular importance in areas ranging from materials science, biochemistry and condensed matter physics. Here, we propose a…

Quantum Physics · Physics 2020-02-25 Shijie Wei , Hang Li , GuiLu Long

The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenvalues and eigenvectors of a given Hamiltonian on noisy intermediate-scale quantum (NISQ) devices. A particular application is to obtain ground…

Linear solvers are major computational bottlenecks in a wide range of decision support and optimization computations. The challenges become even more pronounced on heterogeneous hardware, where traditional sparse numerical linear algebra…

Computational Engineering, Finance, and Science · Computer Science 2024-01-26 Kasia Świrydowicz , Nicholson Koukpaizan , Maksudul Alam , Shaked Regev , Michael Saunders , Slaven Peleš

This paper presents a conforming thin plate bending element based on the Partition of Unity Finite Element Method (PUFEM), for the simulation of steady-state forced vibration. The issue of ensuring the continuity of displacement and slope…

Numerical Analysis · Mathematics 2025-06-04 Tong Zhou , Jean-Daniel Chazot , Emmanuel Perrey-Debain , Li Cheng
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