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Great progress has been made in quantum computing in recent years, providing opportunities to overcome computation resource poverty in many scientific computations like computational fluid dynamics (CFD). In this work, efforts are made to…

Computational Physics · Physics 2025-07-29 Chuang-Chao Ye , Ning-Bo An , Teng-Yang Ma , Meng-Han Dou , Wen Bai , Zhao-Yun Chen , Guo-Ping Guo

Kliko is a Docker-based container specification for running one or multiple related compute jobs. The key concepts of Kliko are the encapsulation of data processing software into a container and the formalization of the input, output and…

Instrumentation and Methods for Astrophysics · Physics 2018-07-10 Gijs Molenaar , Spheshile Makhathini , Julien N. Girard , Oleg Smirnov

Submodularity is an important concept in integer and combinatorial optimization. A classical submodular set function models the utility of selecting homogenous items from a single ground set, and such selections can be represented by binary…

Optimization and Control · Mathematics 2023-04-06 Simge Küçükyavuz , Qimeng Yu

We propose the QHyper library, which is aimed at researchers working on computational experiments with a variety of quantum combinatorial optimization solvers. The library offers a simple and extensible interface for formulating…

Mathematical Software · Computer Science 2024-09-25 Tomasz Lamża , Justyna Zawalska , Kacper Jurek , Mariusz Sterzel , Katarzyna Rycerz

In recent years, Graph Neural Networks (GNNs) appear to be state-of-the-art algorithms for analyzing non-euclidean graph data. By applying deep-learning to extract high-level representations from graph structures, GNNs achieve extraordinary…

Artificial Intelligence · Computer Science 2021-06-28 Zhe Zhou , Bizhao Shi , Zhe Zhang , Yijin Guan , Guangyu Sun , Guojie Luo

The rapid progress in GPU computing has revolutionized many fields, yet its potential in mathematical programming, such as linear programming (LP), has only recently begun to be realized. This survey aims to provide a comprehensive overview…

Optimization and Control · Mathematics 2025-06-04 Haihao Lu , Jinwen Yang

Neural operators have achieved significant success in modern scientific computing due to their flexibility and strong generalization capabilities. Existing models, however, primarily rely on first-order kernel integral approximations, which…

Machine Learning · Computer Science 2026-05-22 Pengyuan Zhu , Ivor W. Tsang , Yueming Lyu

Processing large-scale graph datasets is computationally intensive and time-consuming. Processor-centric CPU and GPU architectures, commonly used for graph applications, often face bottlenecks caused by extensive data movement between the…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-11 Marzieh Barkhordar , Alireza Tabatabaeian , Mohammad Sadrosadati , Christina Giannoula , Juan Gomez Luna , Izzat El Hajj , Onur Mutlu , Alaa R. Alameldeen

The paper introduces a novel representation for Generalized Planning (GP) problems, and their solutions, as C++ programs. Our C++ representation allows to formally proving the termination of generalized plans, and to specifying their…

Artificial Intelligence · Computer Science 2022-06-30 Javier Segovia-Aguas , Yolanda E-Martín , Sergio Jiménez

This work introduces CLBlast, an open-source BLAS library providing optimized OpenCL routines to accelerate dense linear algebra for a wide variety of devices. It is targeted at machine learning and HPC applications and thus provides a fast…

Mathematical Software · Computer Science 2018-04-30 Cedric Nugteren

Serving Large Language Models (LLMs) is critical for AI-powered applications, yet it demands substantial computational resources, particularly in memory bandwidth and computational throughput. Low-precision computation has emerged as a key…

Machine Learning · Computer Science 2025-09-03 Yaoyao Ding , Bohan Hou , Xiao Zhang , Allan Lin , Tianqi Chen , Cody Yu Hao , Yida Wang , Gennady Pekhimenko

In high-performance computing, hotspot GPU kernels are primary bottlenecks, and expert manual tuning is costly and hard to port. Large language model methods often assume kernels can be compiled and executed cheaply, which fails in large…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-30 Ruifan Chu , Anbang Wang , Xiuxiu Bai , Shuai Liu , Xiaoshe Dong

This paper introduces the full Low-carbon Expansion Generation Optimization (LEGO) model available on Github (https://github.com/wogrin/LEGO). LEGO is a mixed-integer quadratically constrained optimization problem and has been designed to…

Optimization and Control · Mathematics 2022-01-20 Sonja Wogrin , Diego A. Tejada-Arango , Udo Bachhiesl , Benjamin F. Hobbs

We describe here a library aimed at automating the solution of partial differential equations using the finite element method. By employing novel techniques for automated code generation, the library combines a high level of expressiveness…

Mathematical Software · Computer Science 2012-05-15 Anders Logg , Garth N. Wells

This paper is devoted to GPU kernel optimization and performance analysis of three tensor-product operators arising in finite element methods. We provide a mathematical background to these operations and implementation details. Achieving…

Mathematical Software · Computer Science 2017-11-15 Kasia Świrydowicz , Noel Chalmers , Ali Karakus , Timothy Warburton

We present SLinGen, a program generation system for linear algebra. The input to SLinGen is an application expressed mathematically in a linear-algebra-inspired language (LA) that we define. LA provides basic scalar/vector/matrix…

Programming Languages · Computer Science 2018-05-15 Daniele G. Spampinato , Diego Fabregat-Traver , Paolo Bientinesi , Markus Pueschel

Batched linear solvers play a vital role in computational sciences, especially in the fields of plasma physics and combustion simulations. With the imminent deployment of the Aurora Supercomputer and other upcoming systems equipped with…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-28 Phuong Nguyen , Pratik Nayak , Hartwig Anzt

SOL is an open-source library for scalable online learning algorithms, and is particularly suitable for learning with high-dimensional data. The library provides a family of regular and sparse online learning algorithms for large-scale…

Machine Learning · Computer Science 2016-10-31 Yue Wu , Steven C. H. Hoi , Chenghao Liu , Jing Lu , Doyen Sahoo , Nenghai Yu

There are many ways to represent a molecule as input to a machine learning model and each is associated with loss and retention of certain kinds of information. In the interest of preserving three-dimensional spatial information, including…

Machine Learning · Computer Science 2019-12-11 Jocelyn Sunseri , David Ryan Koes

We describe LEGO, a new approach to optimizing data movement whereby code is expressed as a layout-independent computation and composed with layouts for data and computation. This code generator organization derives complex indexing…

Programming Languages · Computer Science 2025-12-16 Amir Mohammad Tavakkoli , Cosmin Oancea , Mary Hall