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Graph Convolutional Networks (GCNs) are recently getting much attention in bioinformatics and chemoinformatics as a state-of-the-art machine learning approach with high accuracy. GCNs process convolutional operations along with graph…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-28 Yusuke Nagasaka , Akira Nukada , Ryosuke Kojima , Satoshi Matsuoka

We present a high-performance evaluation method for 4-center 2-particle integrals over Gaussian atomic orbitals with high angular momenta ($l\geq4$) and arbitrary contraction degrees on graphical processing units (GPUs) and other…

Computational Physics · Physics 2023-12-20 Andrey Asadchev , Edward F. Valeev

Existing block Kaczmarz methods face challenges in balancing computational efficiency and convergence for large sparse linear systems with scattered nonzero patterns, due to costly partitioning strategies and non-orthogonal projections. In…

Numerical Analysis · Mathematics 2025-06-24 Yu-Fang Liang , Hou-Biao Li

Efficient Graph processing is challenging because of the irregularity of graph algorithms. Using GPUs to accelerate irregular graph algorithms is even more difficult to be efficient, since GPU's highly structured SIMT architecture is not a…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-04-05 Xuhao Chen

The trend towards highly parallel multi-processing is ubiquitous in all modern computer architectures, ranging from handheld devices to large-scale HPC systems; yet many applications are struggling to fully utilise the multiple levels of…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-07-19 Michael Lange , Gerard Gorman , Michele Weiland , Lawrence Mitchell , Xiaohu Guo , James Southern

The paper presents investigations on the implementation and performance of the finite element numerical integration algorithm for first order approximations and three processor architectures, popular in scientific computing, classical CPU,…

Mathematical Software · Computer Science 2016-05-25 Krzysztof Banaś , Filip Krużel , Jan Bielański

Large matrix multiplication is a cornerstone of modern machine learning workloads, yet traditional approaches suffer from cubic computational complexity (e.g., $\mathcal{O}(n^3)$ for a matrix of size $n\times n$). We present Low-Rank GEMM,…

Performance · Computer Science 2025-11-25 Alfredo Metere

COVID-19 has shown the importance of having a fast response against pandemics. Finding a novel drug is a very long and complex procedure, and it is possible to accelerate the preliminary phases by using computer simulations. In particular,…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-13 Emanuele Vitali , Federico Ficarelli , Mauro Bisson , Davide Gadioli , Massimiliano Fatica , Andrea R. Beccari , Gianluca Palermo

As large graph processing emerges, we observe a costly fork-processing pattern (FPP) that is common in many graph algorithms. The unique feature of the FPP is that it launches many independent queries from different source vertices on the…

Databases · Computer Science 2021-04-13 Shengliang Lu , Shixuan Sun , Johns Paul , Yuchen Li , Bingsheng He

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

The performance of graph programs depends highly on the algorithm, the size and structure of the input graphs, as well as the features of the underlying hardware. No single set of optimizations or one hardware platform works well across all…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-11 Ajay Brahmakshatriya , Yunming Zhang , Changwan Hong , Shoaib Kamil , Julian Shun , Saman Amarasinghe

Much of the current focus in high-performance computing is on multi-threading, multi-computing, and graphics processing unit (GPU) computing. However, vectorization and non-parallel optimization techniques, which can often be employed…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-05-18 Neil G. Dickson , Kamran Karimi , Firas Hamze

As the increasing complexity of Neural Network(NN) models leads to high demands for computation, AMD introduces a heterogeneous programmable system-on-chip (SoC), i.e., Versal ACAP architectures featured with programmable logic (PL), CPUs,…

Hardware Architecture · Computer Science 2023-05-31 Jinming Zhuang , Zhuoping Yang , Peipei Zhou

Convolutional Neural Networks (CNNs) achieve remarkable accuracy in vision tasks, yet their computational complexity challenges low-power edge deployment. In this work, we present COMET, a framework of CNN models that employ efficient…

Signal Processing · Electrical Eng. & Systems 2026-04-09 Boyang Chen , Mohd Tasleem Khan , George Goussetis , Mathini Sellathurai , Yuan Ding , João F. C. Mota , Jongeun Lee

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

We present efficient implementations of atom reconfiguration algorithms for both CPUs and GPUs, along with a batching routine to merge displacement operations for parallel execution. Leveraging graph-theoretic methods, our approach derives…

Process mapping asks to assign vertices of a task graph to processing elements of a supercomputer such that the computational workload is balanced while the communication cost is minimized. Motivated by the recent success of GPU-based graph…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-16 Petr Samoldekin , Christian Schulz , Henning Woydt

The increasing scale and wealth of inter-connected data, such as those accrued by social network applications, demand the design of new techniques and platforms to efficiently derive actionable knowledge from large-scale graphs. However,…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-12-08 Abdullah Gharaibeh , Tahsin Reza , Elizeu Santos-Neto , Lauro Beltrao Costa , Scott Sallinen , Matei Ripeanu

GPUs have significantly accelerated first-order methods for large-scale optimization, especially in continuous optimization. However, this success has not transferred cleanly to problems with discrete variables, combinatorial structure, and…

Machine Learning · Computer Science 2026-05-22 Jiachang Liu , Andrea Lodi

Graph analytics techniques based on spectral methods process extremely large sparse matrices with millions or even billions of non-zero values. Behind these algorithms lies the Top-K sparse eigenproblem, the computation of the largest…

Hardware Architecture · Computer Science 2022-01-20 Francesco Sgherzi , Alberto Parravicini , Marco Domenico Santambrogio