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Mechanistic knowledge about the physical world is virtually always expressed via partial differential equations (PDEs). Recently, there has been a surge of interest in probabilistic PDE solvers -- Bayesian statistical models mostly based on…

Machine Learning · Computer Science 2025-03-12 Tim Weiland , Marvin Pförtner , Philipp Hennig

Partial Differential Equations (PDEs) are central to science and engineering. Since solving them is computationally expensive, a lot of effort has been put into approximating their solution operator via both traditional and recently…

Machine Learning · Computer Science 2025-02-14 Alessandro Longhi , Danny Lathouwers , Zoltán Perkó

We advocate a domain specific software development methodology for heterogeneous computing platforms such as Multicore CPUs, GPUs and FPGAs. We argue that three specific benefits are realised from adopting such an approach: portable,…

Computational Engineering, Finance, and Science · Computer Science 2014-08-22 Gordon Inggs , David Thomas , Wayne Luk

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

exa-AMD is a Python-based application designed to accelerate the discovery and design of functional materials by integrating AI/ML tools, materials databases, and quantum mechanical calculations into scalable, high-performance workflows.…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-27 Maxim Moraru , Weiyi Xia , Zhuo Ye , Feng Zhang , Yongxin Yao , Ying Wai Li , Cai-Zhuang Wang

High-dimensional partial-differential equations (PDEs) arise in a number of fields of science and engineering, where they are used to describe the evolution of joint probability functions. Their examples include the Boltzmann and…

Numerical Analysis · Mathematics 2018-10-17 A. M. P. Boelens , D. Venturi , D. M. Tartakovsky

Solving partial differential equations (PDEs) with highly oscillatory solutions on complex domains remains a challenging and important problem. High-frequency oscillations and intricate geometries often result in prohibitively expensive…

Numerical Analysis · Mathematics 2025-10-28 Gareth Hardwick , Haizhao Yang

This paper aims to devise an adaptive neural network basis method for numerically solving a second-order semilinear partial differential equation (PDE) with low-regular solutions in two/three dimensions. The method is obtained by combining…

Numerical Analysis · Mathematics 2024-11-05 Jianguo Huang , Haohao Wu , Tao Zhou

Next-generation exascale machines with extreme levels of parallelism will provide massive computing resources for large scale numerical simulations of complex physical systems at unprecedented parameter ranges. However, novel numerical…

Computational Physics · Physics 2023-02-08 Komal Kumari , Emmet Cleary , Swapnil Desai , Diego A. Donzis , Jacqueline H. Chen , Konduri Aditya

Elliptic partial differential equations (PDEs) frequently arise in continuum descriptions of physical processes relevant to science and engineering. Multilevel preconditioners represent a family of scalable techniques for solving discrete…

Mathematical Software · Computer Science 2016-04-26 Dave A. May , Patrick Sanan , Karl Rupp , Matthew G. Knepley , Barry F. Smith

Performance tests and analyses are critical to effective HPC software development and are central components in the design and implementation of computational algorithms for achieving faster simulations on existing and future computing…

Many problems in science and engineering can be represented by a set of partial differential equations (PDEs) through mathematical modeling. Mechanism-based computation following PDEs has long been an essential paradigm for studying topics…

Machine Learning · Computer Science 2022-11-21 Shudong Huang , Wentao Feng , Chenwei Tang , Jiancheng Lv

The key innovation in this paper is an open-source, high-performance iterative solver for high contrast, strongly anisotropic elliptic partial differential equations implemented within dune-pdelab. The iterative solver exploits a robust,…

Numerical Analysis · Mathematics 2020-02-19 Richard Butler , Tim Dodwell , Anne Reinarz , Anhad Sandhu , Robert Scheichl , Linus Seelinger

Multiscale and multiphysics problems need novel numerical methods in order for them to be solved correctly and predictively. To that end, we develop a wavelet based technique to solve a coupled system of nonlinear partial differential…

Numerical Analysis · Mathematics 2023-03-22 Cale Harnish , Luke Dalessandro , Karel Matous , Daniel Livescu

In this article, we propose a new numerical approach to high-dimensional partial differential equations (PDEs) arising in the valuation of exotic derivative securities. The proposed method is extended from Reisinger and Wittum (2007) and…

Computational Finance · Quantitative Finance 2013-10-04 Christoph Reisinger , Rasmus Wissmann

The Portable Extensible Toolkit for Scientific Computation (PETSc) library provides scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization via the Toolkit for Advanced Optimization…

We deal with the numerical solution of linear partial differential equations (PDEs) with focus on the goal-oriented error estimates including algebraic errors arising by an inaccurate solution of the corresponding algebraic systems. The…

Numerical Analysis · Mathematics 2020-01-08 Vít Dolejší , Petr Tichý

In this paper we discuss a new and very efficient implementation of high order accurate ADER discontinuous Galerkin (ADER-DG) finite element schemes on modern massively parallel supercomputers. The numerical methods apply to a very broad…

Numerical Analysis · Mathematics 2018-08-20 Michael Dumbser , Francesco Fambri , Maurizio Tavelli , Michael Bader , Tobias Weinzierl

Mixed-dimensional partial differential equations (PDEs) are characterized by coupled operators defined on domains of varying dimensions and pose significant computational challenges due to their inherent ill-conditioning. Moreover, the…

Numerical Analysis · Mathematics 2025-05-14 Nunzio Dimola , Nicola Rares Franco , Paolo Zunino

Recently, researchers have utilized neural networks to accurately solve partial differential equations (PDEs), enabling the mesh-free method for scientific computation. Unfortunately, the network performance drops when encountering a high…

Machine Learning · Computer Science 2021-09-29 Pongpisit Thanasutives , Masayuki Numao , Ken-ichi Fukui