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Efficient hybrid DFT simulations of solid state materials would be extremely beneficial for computational chemistry and materials science, but is presently bottlenecked by difficulties in computing Hartree-Fock (HF) exchange with plane wave…

Chemical Physics · Physics 2024-10-30 Yuanheng Wang , Diptarka Hait , Pablo A. Unzueta , Juncheng Harry Zhang , Todd J. Martínez

Recently, visual prompt tuning is introduced to RGB-Thermal (RGB-T) tracking as a parameter-efficient finetuning (PEFT) method. However, these PEFT-based RGB-T tracking methods typically rely solely on spatial domain information as prompts…

Computer Vision and Pattern Recognition · Computer Science 2025-09-25 Hongtao Yang , Bineng Zhong , Qihua Liang , Zhiruo Zhu , Yaozong Zheng , Ning Li

In order to run Computational Fluid Dynamics (CFD) codes on large scale infrastructures, parallel computing has to be used because of the computational intensive nature of the problems. In this paper we investigate the ADAPT platform where…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-25 Imad Kissami , Christophe Cerin , Fayssal Benkhaldoun , Gilles Scarella

This paper introduces PDEformer, a neural solver for partial differential equations (PDEs) capable of simultaneously addressing various types of PDEs. We propose to represent the PDE in the form of a computational graph, facilitating the…

Numerical Analysis · Mathematics 2025-01-28 Zhanhong Ye , Xiang Huang , Leheng Chen , Hongsheng Liu , Zidong Wang , Bin Dong

Solving large complex partial differential equations (PDEs), such as those that arise in computational fluid dynamics (CFD), is a computationally expensive process. This has motivated the use of deep learning approaches to approximate the…

Machine Learning · Computer Science 2020-08-18 Filipe de Avila Belbute-Peres , Thomas D. Economon , J. Zico Kolter

The recent trend of using Graphics Processing Units (GPU's) for high performance computations is driven by the high ratio of price performance for these units, complemented by their cost effectiveness. At first glance, computational fluid…

Computational Engineering, Finance, and Science · Computer Science 2018-02-13 Kiril S. Shterev

We present a MATLAB-based framework for two- and three-dimensional fast Fourier transforms on multiple GPUs for large-scale numerical simulations using the pseudo-spectral Fourier method. The software implements two complementary multi-GPU…

Mathematical Software · Computer Science 2026-03-31 Maik Punke , Marco Salvalaglio

A two-step preconditioned iterative method based on the Hermitian/Skew-Hermitian splitting is applied to the solution of nonsymmetric linear systems arising from the Finite Element approximation of convection-diffusion equations. The…

Numerical Analysis · Mathematics 2008-07-23 Alessandro Russo , Cristina Tablino Possio

There has been considerable research into improving Fast Fourier Transform (FFT) performance through parallelization and optimization for specialized hardware. However, even with those advancements, processing of very large files, over 1TB…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-07-28 Rostislav Tsiomenko , Bradley S. Rees

This paper introduces PDEformer-1, a versatile neural solver capable of simultaneously addressing various partial differential equations (PDEs). With the PDE represented as a computational graph, we facilitate the seamless integration of…

Numerical Analysis · Mathematics 2025-01-28 Zhanhong Ye , Xiang Huang , Leheng Chen , Zining Liu , Bingyang Wu , Hongsheng Liu , Zidong Wang , Bin Dong

Obtaining a thermodynamically accurate phase diagram through numerical calculations is a computationally expensive problem that is crucially important to understanding the complex phenomena of solid state physics, such as superconductivity.…

Computational Physics · Physics 2015-05-20 Michał Januszewski , Andrzej Ptok , Dawid Crivelli , Bartłomiej Gardas

Homogenization is a fundamental technique for estimating the macroscopic properties of materials with microscale heterogeneity. Among Homogenization methods, the FFT-based Homogenization algorithm has become widely used due to its…

Materials Science · Physics 2025-04-15 Sascha H. Hauck , Matthias Kabel , Mazen Ali , Nicolas R. Gauger

Though rectified flow models have achieved remarkable performance in image, video, and 3D generation, their practical deployments are challenged by slow inference speeds. Prior acceleration methods reuse cached features from previous steps,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-25 Junwen Tan , Jinglin Liang , Hongyuan Chen , Shuangping Huang

In this paper, a fast synthetic iterative scheme is developed to accelerate convergence for the implicit DOM based on the stationary phonon BTE. The key innovative point of the present scheme is the introduction of the macroscopic synthetic…

Computational Physics · Physics 2018-12-18 Chuang Zhang , Songze Chen , Zhaoli Guo , Lei Wu

Deep 3-dimensional (3D) Convolutional Network (ConvNet) has shown promising performance on video recognition tasks because of its powerful spatio-temporal information fusion ability. However, the extremely intensive requirements on memory…

Computer Vision and Pattern Recognition · Computer Science 2019-06-03 Haonan Wang , Jun Lin , Zhongfeng Wang

The Finite Difference Time Domain (FDTD) method is a widely used numerical technique for solving Maxwell's equations, particularly in computational electromagnetics and photonics. It enables accurate modeling of wave propagation in complex…

Computation and Language · Computer Science 2025-04-15 Yifei He , Måns I. Andersson , Stefano Markidis

In this paper, we introduce an efficient method for computing curves minimizing a variant of the Euler-Mumford elastica energy, with fixed endpoints and tangents at these endpoints, where the bending energy is enhanced with a user defined…

Computational Geometry · Computer Science 2023-08-31 Da Chen , Jean-Marie Mirebeau , Minglei Shu , Laurent D. Cohen

Our work tackles the computational challenges of contrastive learning methods, particularly for the pretraining of Vision Transformers (ViTs). Despite the effectiveness of contrastive learning, the substantial computational resources…

Computer Vision and Pattern Recognition · Computer Science 2024-11-01 Jinhong Lin , Cheng-En Wu , Yibing Wei , Pedro Morgado

Robust fine-tuning aims to achieve competitive in-distribution (ID) performance while maintaining the out-of-distribution (OOD) robustness of a pre-trained model when transferring it to a downstream task. Recently, projected gradient…

Computer Vision and Pattern Recognition · Computer Science 2023-10-31 Junjiao Tian , Yen-Cheng Liu , James Seale Smith , Zsolt Kira

We present a new direct logarithmically optimal in theory and fast in practice algorithm to implement the high order finite element method on multi-dimensional rectangular parallelepipeds for solving PDEs of the Poisson kind. The key points…

Numerical Analysis · Mathematics 2026-01-05 Alexander Zlotnik , Ilya Zlotnik
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