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MIRGE is a computational approach for scientific computing based on NumPy-like array computation, but using lazy evaluation to recast computation as data-flow graphs, where nodes represent immutable, multi-dimensional arrays. Evaluation of…

We describe a novel, interdisciplinary, computational methods course that uses Python and associated numerical and visualization libraries to enable students to implement simulations for a number of different course modules. Problems in…

Chaotic Dynamics · Physics 2007-05-23 Christopher R. Myers , James. P. Sethna

Python is a popular programming language known for its ease of learning and extensive libraries. However, concerns about performance and energy consumption have led to the development of compilers to enhance Python code efficiency. Despite…

Programming Languages · Computer Science 2025-05-06 Vincenzo Stoico , Andrei Calin Dragomir , Patricia Lago

Machine learning has proved to be a useful tool for extracting knowledge from scientific data in numerous research fields, including astrophysics, genomics, and molecular dynamics. Often, data sets from these research areas need to be…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-04-21 Javier Álvarez Cid-Fuentes , Pol Álvarez , Salvi Solà , Kuninori Ishii , Rafael K. Morizawa , Rosa M. Badia

This paper introduces a data structure, called simplex tree, to represent abstract simplicial complexes of any dimension. All faces of the simplicial complex are explicitly stored in a trie whose nodes are in bijection with the faces of the…

Computational Geometry · Computer Science 2020-01-09 Jean-Daniel Boissonnat , Clément Maria

Data engineering is becoming an increasingly important part of scientific discoveries with the adoption of deep learning and machine learning. Data engineering deals with a variety of data formats, storage, data extraction, transformation,…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-10-14 Vibhatha Abeykoon , Niranda Perera , Chathura Widanage , Supun Kamburugamuve , Thejaka Amila Kanewala , Hasara Maithree , Pulasthi Wickramasinghe , Ahmet Uyar , Geoffrey Fox

NIFTY, "Numerical Information Field Theory", is a software package designed to enable the development of signal inference algorithms that operate regardless of the underlying spatial grid and its resolution. Its object-oriented framework is…

Instrumentation and Methods for Astrophysics · Physics 2013-06-06 Marco Selig , Michael R. Bell , Henrik Junklewitz , Niels Oppermann , Martin Reinecke , Maksim Greiner , Carlos Pachajoa , Torsten A. Enßlin

Orthogonal array, a classical and effective tool for collecting data, has been flourished with its applications in modern computer experiments and engineering statistics. Driven by the wide use of computer experiments with both qualitative…

Methodology · Statistics 2022-03-15 Yuanzhen He , C. Devon Lin , Fasheng Sun

We introduce GraSPy, a Python library devoted to statistical inference, machine learning, and visualization of random graphs and graph populations. This package provides flexible and easy-to-use algorithms for analyzing and understanding…

Social and Information Networks · Computer Science 2019-10-25 Jaewon Chung , Benjamin D. Pedigo , Eric W. Bridgeford , Bijan K. Varjavand , Hayden S. Helm , Joshua T. Vogelstein

Theano is a Python library that allows to define, optimize, and evaluate mathematical expressions involving multi-dimensional arrays efficiently. Since its introduction, it has been one of the most used CPU and GPU mathematical compilers -…

Symbolic Computation · Computer Science 2016-05-10 The Theano Development Team , Rami Al-Rfou , Guillaume Alain , Amjad Almahairi , Christof Angermueller , Dzmitry Bahdanau , Nicolas Ballas , Frédéric Bastien , Justin Bayer , Anatoly Belikov , Alexander Belopolsky , Yoshua Bengio , Arnaud Bergeron , James Bergstra , Valentin Bisson , Josh Bleecher Snyder , Nicolas Bouchard , Nicolas Boulanger-Lewandowski , Xavier Bouthillier , Alexandre de Brébisson , Olivier Breuleux , Pierre-Luc Carrier , Kyunghyun Cho , Jan Chorowski , Paul Christiano , Tim Cooijmans , Marc-Alexandre Côté , Myriam Côté , Aaron Courville , Yann N. Dauphin , Olivier Delalleau , Julien Demouth , Guillaume Desjardins , Sander Dieleman , Laurent Dinh , Mélanie Ducoffe , Vincent Dumoulin , Samira Ebrahimi Kahou , Dumitru Erhan , Ziye Fan , Orhan Firat , Mathieu Germain , Xavier Glorot , Ian Goodfellow , Matt Graham , Caglar Gulcehre , Philippe Hamel , Iban Harlouchet , Jean-Philippe Heng , Balázs Hidasi , Sina Honari , Arjun Jain , Sébastien Jean , Kai Jia , Mikhail Korobov , Vivek Kulkarni , Alex Lamb , Pascal Lamblin , Eric Larsen , César Laurent , Sean Lee , Simon Lefrancois , Simon Lemieux , Nicholas Léonard , Zhouhan Lin , Jesse A. Livezey , Cory Lorenz , Jeremiah Lowin , Qianli Ma , Pierre-Antoine Manzagol , Olivier Mastropietro , Robert T. McGibbon , Roland Memisevic , Bart van Merriënboer , Vincent Michalski , Mehdi Mirza , Alberto Orlandi , Christopher Pal , Razvan Pascanu , Mohammad Pezeshki , Colin Raffel , Daniel Renshaw , Matthew Rocklin , Adriana Romero , Markus Roth , Peter Sadowski , John Salvatier , François Savard , Jan Schlüter , John Schulman , Gabriel Schwartz , Iulian Vlad Serban , Dmitriy Serdyuk , Samira Shabanian , Étienne Simon , Sigurd Spieckermann , S. Ramana Subramanyam , Jakub Sygnowski , Jérémie Tanguay , Gijs van Tulder , Joseph Turian , Sebastian Urban , Pascal Vincent , Francesco Visin , Harm de Vries , David Warde-Farley , Dustin J. Webb , Matthew Willson , Kelvin Xu , Lijun Xue , Li Yao , Saizheng Zhang , Ying Zhang

We present a simple yet general and efficient approach to representation of computational meshes. Meshes are represented as sets of mesh entities of different topological dimensions and their incidence relations. We discuss a…

Numerical Analysis · Mathematics 2012-05-15 Anders Logg

Scientific computing requires handling large linear models, which are often composed of structured matrices. With increasing model size, dense representations quickly become infeasible to compute or store. Matrix-free implementations are…

Mathematical Software · Computer Science 2021-11-30 Christoph Wilfried Wagner , Sebastian Semper , Jan Kirchhof

Pattern matching is a powerful tool for symbolic computations, based on the well-defined theory of term rewriting systems. Application domains include algebraic expressions, abstract syntax trees, and XML and JSON data. Unfortunately, no…

Programming Languages · Computer Science 2017-10-20 Manuel Krebber , Henrik Barthels , Paolo Bientinesi

In resent years, the software ecosystem for numerical simulation still remains fragmented, with different algorithms and discretization methods often implemented in isolation, each with distinct data structures and programming conventions.…

Numerical Analysis · Mathematics 2026-03-10 Yangyang Zheng , Huayi Wei , Yunqing Huang , Chunyu Chen , Tian Tian , Hanbin Liu , Wenbin Wang , Liang He

ABCpy is a highly modular scientific library for Approximate Bayesian Computation (ABC) written in Python. The main contribution of this paper is to document a software engineering effort that enables domain scientists to easily apply ABC…

The array is a fundamental data structure that provides an efficient way to store and retrieve non-sparse data contiguous in memory. Arrays are important for the performance of many memory-intensive applications due to the design of modern…

Programming Languages · Computer Science 2019-08-06 Beatrice à kerblom , Elias Castegren , Tobias Wrigstad

Python has become a standard scientific computing language with fast-growing support of machine learning and data analysis modules, as well as an increasing usage of big data. The Dynamic Distributed Dimensional Data Model (D4M) offers a…

Optimal usage of the memory system is a key element of fast GPU algorithms. Unfortunately many common algorithms fail in this regard despite exhibiting great regularity in memory access patterns. In this paper we propose efficient kernels…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-18 Mathis Bouverot-Dupuis , Mary Sheeran

HolPy is an interactive theorem proving system implemented in Python. It uses higher-order logic as the logical foundation. Its main features include a pervasive use of macros in producing, checking, and storing proofs, a JSON-based format…

Logic in Computer Science · Computer Science 2020-01-28 Bohua Zhan

In this paper we propose some very promissing results in interval arithmetics which permit to build well-defined arithmetics including distributivity of multiplication and division according addition and substraction. Thus, it allows to…

Numerical Analysis · Computer Science 2011-07-20 Nicolas Goze , Michel Goze , Abdel Kenoufi , Elisabeth Remm