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We present a computationally efficient approach to solve the time-dependent Kohn-Sham equations in real-time using higher-order finite-element spatial discretization, applicable to both pseudopotential and all-electron calculations. To this…

Computational Physics · Physics 2019-10-02 Bikash Kanungo , Vikram Gavini

Block-structured adaptive mesh refinement (AMR) provides the basis for the temporal and spatial discretization strategy for a number of ECP applications in the areas of accelerator design, additive manufacturing, astrophysics, combustion,…

Mathematical Software · Computer Science 2025-03-21 Weiqun Zhang , Andrew Myers , Kevin Gott , Ann Almgren , John Bell

In the present work, we investigate the computational efficiency afforded by higher-order finite-element discretization of the saddle-point formulation of orbital-free density functional theory. We first investigate the robustness of viable…

Computational Physics · Physics 2015-05-30 Phani Motamarri , Mrinal Iyer , Jaroslaw Knap , Vikram Gavini

In this work, we present an adaptive unfitted finite element scheme that combines the aggregated finite element method with parallel adaptive mesh refinement. We introduce a novel scalable distributed-memory implementation of the resulting…

Numerical Analysis · Mathematics 2021-09-30 Santiago Badia , Alberto F. Martín , Eric Neiva , Francesc Verdugo

The convergence analysis for least-squares finite element methods led to various adaptive mesh-refinement strategies: Collective marking algorithms driven by the built-in a posteriori error estimator or an alternative explicit…

Numerical Analysis · Mathematics 2023-09-18 Philipp Bringmann

The cost- and memory-efficient numerical simulation of coupled volume-based multi-physics problems like flow, transport, wave propagation and others remains a challenging task with finite element method (FEM) approaches. Goal-oriented space…

Mathematical Software · Computer Science 2019-05-01 Uwe Köcher , Marius Paul Bruchhäuser , Markus Bause

We present a simple yet general and efficient approach to representation of computational meshes. Meshes are represented as sets of mesh entities of different topological dimensions and their incidence relations. We discuss a…

Numerical Analysis · Mathematics 2012-05-15 Anders Logg

In the discretization of differential problems on complex geometrical domains, discretization methods based on polygonal and polyhedral elements are powerful tools. Adaptive mesh refinement for such kind of problems is very useful as well…

Numerical Analysis · Mathematics 2019-12-12 Stefano Berrone , Andrea Borio , Alessandro D'Auria

This work proposes an automatic methodology for modeling complex systems. Our methodology is based on the combination of Grammatical Evolution and classical regression to obtain an optimal set of features that take part of a linear and…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-02 Patricia Arroba , José L. Risco-Martín , Marina Zapater , José M. Moya , José L. Ayala

This paper presents a new progressive compression method for triangular meshes. This method, in fact, is based on a schema of irregular multi-resolution analysis and is centered on the optimization of the rate-distortion trade-off. The…

Graphics · Computer Science 2013-09-16 Zeineb Abderrahim , Elhem Techini , Mohamed Salim Bouhlel

In recommendation systems, practitioners observed that increase in the number of embedding tables and their sizes often leads to significant improvement in model performances. Given this and the business importance of these models to major…

Machine Learning · Computer Science 2020-10-26 Jie Amy Yang , Jianyu Huang , Jongsoo Park , Ping Tak Peter Tang , Andrew Tulloch

We describe a set of lower-level abstractions to improve performance on modern large scale heterogeneous systems. These provide portable access to system- and hardware-dependent features, automatically apply dynamic optimizations at run…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-08-07 Erik Schnetter

Nowadays, embedded systems are provided with cache memories that are large enough to influence in both performance and energy consumption as never occurred before in this kind of systems. In addition, the cache memory system has been…

Neural and Evolutionary Computing · Computer Science 2023-03-07 Josefa Díaz Álvarez , J. Manuel Colmenar , José L. Risco-Martín , Juan Lanchares , Oscar Garnica

Structured Adaptive Mesh Refinement (Structured AMR) enables simulations to adapt the domain resolution to save computation and storage, and has become one of the dominant data representations used by scientific simulations; however,…

Graphics · Computer Science 2020-09-08 Ingo Wald , Stefan Zellmann , Will Usher , Nate Morrical , Ulrich Lang , Valerio Pascucci

Due to the limit of mesh density, the improvement of the spatial precision of numerical computation always leads to a decrease in computing efficiency. Aiming at this inability of numerical computation, we propose a novel method for…

Numerical Analysis · Mathematics 2021-04-05 Handing Xu , Zhenguo Nie , Qingfeng Xu , Xinjun Liu

In recent work we have shown how an accurate reduced model can be utilized to perform mesh refinement in random space. That work relied on the explicit knowledge of an accurate reduced model which is used to monitor the transfer of activity…

Numerical Analysis · Mathematics 2016-09-21 Jing Li , Panos Stinis

This article is concerned with the numerical solution of convex variational problems. More precisely, we develop an iterative minimisation technique which allows for the successive enrichment of an underlying discrete approximation space in…

Numerical Analysis · Mathematics 2015-07-07 Paul Houston , Thomas P. Wihler

The increasing demand for larger and higher fidelity simulations has made Adaptive Mesh Refinement (AMR) and unstructured mesh techniques essential to focus compute effort and memory cost on just the areas of interest in the simulation…

Graphics · Computer Science 2025-01-23 Xuan Huang , Will Usher , Valerio Pascucci

The applications being developed within the U.S. Exascale Computing Project (ECP) to run on imminent Exascale computers will generate scientific results with unprecedented fidelity and record turn-around time. Many of these codes are based…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-08-04 Lipeng Wan , Axel Huebl , Junmin Gu , Franz Poeschel , Ana Gainaru , Ruonan Wang , Jieyang Chen , Xin Liang , Dmitry Ganyushin , Todd Munson , Ian Foster , Jean-Luc Vay , Norbert Podhorszki , Kesheng Wu , Scott Klasky

This study presents constructions of the space-time Conservation Element and Solution Element (CESE) methods to accommodate adaptive unstructured quadrilateral meshes. Subsequently, a novel algorithm is devised to effectively manage the…

Fluid Dynamics · Physics 2025-03-10 Lisong Shi , Chaoxiong Zhang , Chih-Yung Wen