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This Article presents two optimized multi-GPU algorithms for Fock matrix construction, building on the work of Ufimtsev et al. and Barca et al. The novel algorithms, opt-UM and opt-Brc, introduce significant enhancements, including improved…

Computational Physics · Physics 2024-08-01 Elise Palethorpe , Ryan Stocks , Giuseppe M. J. Barca

This work presents a GPU thread mapping approach that allows doing fast parallel stencil-like computations on discrete fractals using their compact representation. The intuition behind is to employ two GPU tensor-core accelerated thread…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-26 Felipe A. Quezada , Cristóbal A. Navarro

Matrix multiplication is a fundamental operation in both training of neural networks and inference. To accelerate matrix multiplication, Graphical Processing Units (GPUs) provide it implemented in hardware. Due to the increased throughput…

Mathematical Software · Computer Science 2026-04-07 Faizan A. Khattak , Mantas Mikaitis

Matrix-accelerated stencil computation is a hot research topic, yet its application to three-dimensional (3D) high-order stencils and HPC remains underexplored. With the emergence of matrix units on multicore CPUs, we analyze matrix-based…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-16 Yinuo Wang , Tianqi Mao , Lin Gan , Wubing Wan , Zeyu Song , Jiayu Fu , Lanke He , Wenqiang Wang , Zekun Yin , Wei Xue , Guangwen Yang

Recently, reinforcement algorithms discovered new algorithms that really jump-started a wave of excitements and a flourishing of publications. However, there is little on implementations, applications, and, especially, no absolute…

Mathematical Software · Computer Science 2023-12-21 Paolo D'Alberto

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

Matrix Factorization (MF) has been widely applied in machine learning and data mining. A large number of algorithms have been studied to factorize matrices. Among them, stochastic gradient descent (SGD) is a commonly used method.…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-30 Yuanhang Yu , Dong Wen , Ying Zhang , Xiaoyang Wang , Wenjie Zhang , Xuemin Lin

Matrix multiplication is a fundamental kernel in large-scale artificial intelligence and scientific computing, but its performance on conventional electronic accelerators is increasingly constrained by memory bandwidth and energy…

Emerging Technologies · Computer Science 2026-04-15 Hailong Gong , Haibo Zhang , Amanda S. Barnard , Mahbub Hassan , Matt Woolley , Rajkumar Buyya

In the acceleration of deep neural network training, the GPU has become the mainstream platform. GPUs face substantial challenges on GNNs, such as workload imbalance and memory access irregularities, leading to underutilized hardware.…

Machine Learning · Computer Science 2024-03-20 Hongwu Peng , Xi Xie , Kaustubh Shivdikar , MD Amit Hasan , Jiahui Zhao , Shaoyi Huang , Omer Khan , David Kaeli , Caiwen Ding

In computational science and data analytics, many workloads involve irregular and sparse computations that are inherently difficult to optimize for modern hardware. A key kernel is Sparse General Matrix-Matrix Multiplication (SpGEMM), which…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-22 Yifan Li , Giulia Guidi

Matrix Factorization (MF) on large scale data takes substantial time on a Central Processing Unit (CPU). While Graphical Processing Unit (GPU)s could expedite the computation of MF, the available memory on a GPU is finite. Leveraging GPUs…

Machine Learning · Computer Science 2023-04-28 Prasad Bhavana , Vineet Padmanabhan

In recent years, general matrix-matrix multiplication with non-regular-shaped input matrices has been widely used in many applications like deep learning and has drawn more and more attention. However, conventional implementations are not…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-24 Chendi Li , Haipeng Jia , Hang Cao , Jianyu Yao , Boqian Shi , Chunyang Xiang , Jinbo Sun , Pengqi Lu , Yunquan Zhang

To respond to the need of efficient training and inference of deep neural networks, a plethora of domain-specific hardware architectures have been introduced, such as Google Tensor Processing Units and NVIDIA Tensor Cores. A common feature…

Data Structures and Algorithms · Computer Science 2020-07-10 Rezaul Chowdhury , Francesco Silvestri , Flavio Vella

The Strassen algorithm and Winograd's variant accelerate matrix multiplication by using fewer arithmetic operations than standard matrix multiplication. Although many papers have been published to accelerate single- as well as…

Numerical Analysis · Mathematics 2015-10-27 Tomonori Kouya

The exponentially growing model size drives the continued success of deep learning, but it brings prohibitive computation and memory cost. From the algorithm perspective, model sparsification and quantization have been studied to alleviate…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-09 Shigang Li , Kazuki Osawa , Torsten Hoefler

Sparse Matrix-Matrix Multiplication (SpMM) is a fundamental operation in graph computing and analytics. However, the irregularity of real-world graphs poses significant challenges to achieving efficient SpMM operation for graph data on…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-13 Zhonggen Li , Xiangyu Ke , Yifan Zhu , Yunjun Gao , Yaofeng Tu

Sparse Matricized Tensor Times Khatri-Rao Product (spMTTKRP) is the bottleneck kernel of sparse tensor decomposition. In this work, we propose a GPU-based algorithm design to address the key challenges in accelerating spMTTKRP computation,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-15 Sasindu Wijeratne , Rajgopal Kannan , Viktor Prasanna

Currently, the size of scientific data is growing at an unprecedented rate. Data in the form of tensors exhibit high-order, high-dimensional, and highly sparse features. Although tensor-based analysis methods are very effective, the large…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-13 Zixuan Li

Sparse Matrix-matrix Multiplication (SpMM) and Sampled Dense-dense Matrix Multiplication (SDDMM) are important sparse operators in scientific computing and deep learning. Tensor Core Units (TCUs) enhance modern accelerators with superior…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-17 Jinliang Shi , Shigang Li , Youxuan Xu , Rongtian Fu , Xueying Wang , Tong Wu

Sparse Matrix-Matrix multiplication is a key kernel that has applications in several domains such as scientific computing and graph analysis. Several algorithms have been studied in the past for this foundational kernel. In this paper, we…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-01-10 Mehmet Deveci , Christian Trott , Sivasankaran Rajamanickam