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Generalised matrix-matrix multiplication forms the kernel of many mathematical algorithms. A faster matrix-matrix multiply immediately benefits these algorithms. In this paper we implement efficient matrix multiplication for large matrices…

Performance · Computer Science 2019-12-11 Douglas Aberdeen , Jonathan Baxter

We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that…

Dense linear algebra libraries, such as BLAS and LAPACK, provide a relevant collection of numerical tools for many scientific and engineering applications. While there exist high performance implementations of the BLAS (and LAPACK)…

Mathematical Software · Computer Science 2015-11-09 Sandra Catalán , José R. Herrero , Francisco D. Igual , Rafael Rodríguez-Sánchez , Enrique S. Quintana-Ortí

Boolean matrix factorisation aims to decompose a binary data matrix into an approximate Boolean product of two low rank, binary matrices: one containing meaningful patterns, the other quantifying how the observations can be expressed as a…

Machine Learning · Statistics 2017-02-28 Tammo Rukat , Chris C. Holmes , Michalis K. Titsias , Christopher Yau

Basic Linear Algebra Subprograms (BLAS) is a core library in scientific computing and machine learning. This paper presents FT-BLAS, a new implementation of BLAS routines that not only tolerates soft errors on the fly, but also provides…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-04-09 Yujia Zhai , Elisabeth Giem , Quan Fan , Kai Zhao , Jinyang Liu , Zizhong Chen

In the world of linear algebra computation, a well-established standard exists called BLAS(Basic Linear Algebra Subprograms). This standard has been crucial for the development of software using linear algebra operations. Its benefits…

Mathematical Software · Computer Science 2024-10-10 Niklas Hörnblad

Hierarchical Matrix (H-matrix) is an approximation technique which splits a target dense matrix into multiple submatrices, and where a selected portion of submatrices are low-rank approximated. The technique substantially reduces both time…

Mathematical Software · Computer Science 2019-11-04 Rise Ooi , Takeshi Iwashita , Takeshi Fukaya , Akihiro Ida , Rio Yokota

Foundation MLIPs demonstrate broad applicability across diverse material systems and have emerged as a powerful and transformative paradigm in chemical and computational materials science. Equivariant MLIPs achieve state-of-the-art accuracy…

Machine Learning · Computer Science 2026-03-09 Yuanchang Zhou , Siyu Hu , Xiangyu Zhang , Hongyu Wang , Guangming Tan , Weile Jia

Data-efficient learning algorithms are essential in many practical applications for which data collection is expensive, e.g., for the optimal deployment of wireless systems in unknown propagation scenarios. Meta-learning can address this…

Machine Learning · Computer Science 2022-05-25 Ivana Nikoloska , Osvaldo Simeone

Fast approximations to matrix multiplication have the potential to dramatically reduce the cost of neural network inference. Recent work on approximate matrix multiplication proposed to replace costly multiplications with table-lookups by…

Machine Learning · Computer Science 2022-07-14 Calvin McCarter , Nicholas Dronen

In Scientific Computing and modern Machine Learning (ML) workloads, sequences of dependent General Matrix Multiplications (GEMMs) often dominate execution time. While state-of-the-art BLAS libraries aggressively optimize individual GEMM…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-07 César Guedes Carneiro , Lucas Alvarenga , Guido Araujo , Sandro Rigo

This study explores the use of automatic BLAS offloading and INT8-based emulation for accelerating traditional HPC workloads on modern GPU architectures. Through the use of low-bitwidth integer units and cache-coherent Unified Memory…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-04 Hang Liu , Junjie Li , Yinzhi Wang

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

Bayesian optimization is a broadly applied methodology to optimize the expensive black-box function. Despite its success, it still faces the challenge from the high-dimensional search space. To alleviate this problem, we propose a novel…

Machine Learning · Computer Science 2020-10-20 Jingfan Chen , Guanghui Zhu , Chunfeng Yuan , Yihua Huang

Although reliable long precision floating-point arithmetic libraries such as QD and MPFR/GMP are necessary to solve ill-conditioned problems in numerical simulation, long precision BLAS-level computation such as matrix multiplication has…

Mathematical Software · Computer Science 2017-10-06 Tomonori Kouya

The substantial memory demands of pre-training and fine-tuning large language models (LLMs) require memory-efficient optimization algorithms. One promising approach is layer-wise optimization, which treats each transformer block as a single…

Machine Learning · Computer Science 2026-01-15 Yuxi Liu , Renjia Deng , Yutong He , Xue Wang , Tao Yao , Kun Yuan

We introduce the smt toolbox for Matlab. It implements optimized storage and fast arithmetics for circulant and Toeplitz matrices, and is intended to be transparent to the user and easily extensible. It also provides a set of test matrices,…

Numerical Analysis · Mathematics 2019-10-16 Michela Redivo-Zaglia , Giuseppe Rodriguez

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

In a multicore system, applications running on different cores interfere at main memory. This inter-application interference degrades overall system performance and unfairly slows down applications. Prior works have developed…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-04-03 Lavanya Subramanian , Donghyuk Lee , Vivek Seshadri , Harsha Rastogi , Onur Mutlu

Barrett's algorithm is one of the most widely used methods for performing modular multiplication, a critical nonlinear operation in modern privacy computing techniques such as homomorphic encryption (HE) and zero-knowledge proofs (ZKP).…

Cryptography and Security · Computer Science 2025-11-06 Haomin Li , Fangxin Liu , Chenyang Guan , Zongwu Wang , Li Jiang , Haibing Guan