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We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…

Computational Physics · Physics 2025-01-29 Xin Jing , Abhiraj Sharma , John E. Pask , Phanish Suryanarayana

We leverage the proximal Galerkin algorithm (Keith and Surowiec, Foundations of Computational Mathematics, 2024, DOI: 10.1007/s10208-024-09681-8), a recently introduced mesh-independent algorithm, to obtain a high-order finite element…

Numerical Analysis · Mathematics 2025-03-11 Ioannis P. A. Papadopoulos

We propose in this paper a Proper Generalized Decomposition (PGD) solver for reduced-order modeling of linear elastodynamic problems. It primarily focuses on enhancing the computational efficiency of a previously introduced PGD solver based…

Computational Engineering, Finance, and Science · Computer Science 2024-05-15 Clément Vella , Pierre Gosselet , Serge Prudhomme

Smoothed Particle Hydrodynamics (SPH) is essential for modeling complex large-deformation problems across various applications, requiring significant computational power. A major portion of SPH computation time is dedicated to the Nearest…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-23 Zirui Mao , Xinyi Li , Shenyang Hu , Ganesh Gopalakrishnan , Ang Li

In this work, we propose an adaptive spectral element algorithm for solving nonlinear optimal control problems. The method employs orthogonal collocation at the shifted Gegenbauer-Gauss points combined with very accurate and stable…

Optimization and Control · Mathematics 2023-03-06 Kareem T. Elgindy

We present a new algorithm to quickly generate high-performance GPU implementations of complex imaging and vision pipelines, directly from high-level Halide algorithm code. It is fully automatic, requiring no schedule templates or…

Programming Languages · Computer Science 2023-08-29 Luke Anderson , Andrew Adams , Karima Ma , Tzu-Mao Li , Tian Jin , Jonathan Ragan-Kelley

High-order Discontinuous Galerkin (DG) methods offer excellent accuracy for turbulent flow simulations, especially when implemented on GPU-oriented architectures that favor very high polynomial orders. On modern GPUs, high-order polynomial…

Many relevant problems in the area of systems and control, such as controller synthesis, observer design and model reduction, can be viewed as optimization problems involving dynamical systems: for instance, maximizing performance in the…

Optimization and Control · Mathematics 2023-11-15 Pascal Den Boef , Jos Maubach , Wil Schilders , Nathan van de Wouw

GPU computing is expected to play an integral part in all modern Exascale supercomputers. It is also expected that higher order Godunov schemes will make up about a significant fraction of the application mix on such supercomputers. It is,…

Numerical Analysis · Mathematics 2023-04-06 Sethupathy Subramanian , Dinshaw S. Balsara , Deepak Bhoriya , Harish Kumar

We develop efficient hierarchical preconditioners for optimal control problems governed by partial differential equations with uncertain coefficients. Adopting a discretize-then-optimize framework that integrates finite element…

Optimization and Control · Mathematics 2026-02-24 Zhendong Li , Akwum Onwunta , Bedřich Sousedík

This paper discusses the potential of graphics processing units (GPUs) in high-dimensional optimization problems. A single GPU card with hundreds of arithmetic cores can be inserted in a personal computer and dramatically accelerates many…

Computation · Statistics 2015-03-13 Hua Zhou , Kenneth Lange , Marc A. Suchard

Singular Value Decomposition (SVD) is a fundamental matrix factorization technique in linear algebra, widely applied in numerous matrix-related problems. However, traditional SVD approaches are hindered by slow panel factorization and…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-08-18 Shifang Liu , Huiyuan Li , Hongjiao Sheng , Haoyuan Gui , Xiaoyu Zhang

This article proposes an efficient numerical method for solving nonlinear partial differential equations (PDEs) based on sparse Gaussian processes (SGPs). Gaussian processes (GPs) have been extensively studied for solving PDEs by…

Numerical Analysis · Mathematics 2023-08-09 Rui Meng , Xianjin Yang

With the growing need for higher memory bandwidth and computation density, 2.5D design, which involves integrating multiple chiplets onto an interposer, emerges as a promising solution. However, this integration introduces significant…

Signal Processing · Electrical Eng. & Systems 2025-05-21 Yuanyuan Duan , Haiyang Feng , Zhiping Yu , Hanming Wu , Leilai Shao , Xiaolei Zhu

This paper describes a new fast and implicitly parallel approach to neighbour-finding in multi-resolution Smoothed Particle Hydrodynamics (SPH) simulations. This new approach is based on hierarchical cell decompositions and sorted…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-04-10 Pedro Gonnet

Efficiently enhancing heat conduction through optimized distribution of a limited quantity of high thermal conductivity material is paramount in cooling electronic devices and numerous other applications. This paper introduces a…

Computational Engineering, Finance, and Science · Computer Science 2024-05-24 Bo Zhang , Chi Zhang , Xiangyu Hu

In this note, the importance of spectral properties of viscous flux discretization in solving compressible Navier-Stokes equations for turbulent flow simulations is discussed. We studied six different methods, divided into two different…

In this paper, we propose and analyze the numerical algorithms for fast solution of periodic elliptic problems in random media in $\mathbb{R}^d$, $d=2,3$. We consider the stochastic realizations using checkerboard configuration of the…

Numerical Analysis · Mathematics 2020-07-16 Venera Khoromskaia , Boris N. Khoromskij

Stochastic optimal principle leads to the resolution of a partial differential equation (PDE), namely the Hamilton-Jacobi-Bellman (HJB) equation. In general, this equation cannot be solved analytically, thus numerical algorithms are the…

Numerical Analysis · Mathematics 2021-09-14 Christelle Dleuna Nyoumbi , Antoine Tambue

In this paper, we present algorithms and implementations for the end-to-end GPU acceleration of matrix-free low-order-refined preconditioning of high-order finite element problems. The methods described here allow for the construction of…

Mathematical Software · Computer Science 2023-06-05 Will Pazner , Tzanio Kolev , Jean-Sylvain Camier