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Probabilistic numerical methods (PNMs) solve numerical problems via probabilistic inference. They have been developed for linear algebra, optimization, integration and differential equation simulation. PNMs naturally incorporate prior…

We introduce PyPhonPlan, a Python toolkit for implementing dynamical models of phonetic planning using coupled dynamic neural fields and task dynamic simulations. The toolkit provides modular components for defining planning, perception and…

Computation and Language · Computer Science 2026-03-18 Sam Kirkham

We present version 2 of QuTiP, the Quantum Toolbox in Python. Compared to the preceding version [Comput. Phys. Comm. 183 (2012) 1760], we have introduced numerous new features, enhanced performance, made changes in the Application…

Quantum Physics · Physics 2013-02-04 J. R. Johansson , P. D. Nation , Franco Nori

Traditional heterogeneous parallel algorithms, designed for heterogeneous clusters of workstations, are based on the assumption that the absolute speed of the processors does not depend on the size of the computational task. This assumption…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-15 Alexey Lastovetsky , Ravi Reddy , Vladimir Rychkov , David Clarke

The PySCF package has emerged as a powerful and flexible open-source platform for quantum chemistry simulations. However, the efficiency of electronic structure calculations can vary significantly depending on the choice of computational…

Chemical Physics · Physics 2025-06-10 Zhichen Pu , Qiming Sun

We introduce PyChEst, a Python package which provides tools for the simultaneous estimation of multiple changepoints in the distribution of piece-wise stationary time series. The nonparametric algorithms implemented are provably consistent…

Computation · Statistics 2021-12-21 Azadeh Khaleghi , Lukas Zierahn

This paper studies how to solve semi-infinite polynomial programming (SIPP) problems by semidefinite relaxation method. We first introduce two SDP relaxation methods for solving polynomial optimization problems with finitely many…

Optimization and Control · Mathematics 2013-06-11 Li Wang , Feng Guo

1. Natural sounds have been recorded for millions of hours over the previous decades using passive acoustic monitoring. Improvements in deep learning models have vastly accelerated the analysis of large portions of this data. While new…

Machine Learning · Computer Science 2026-04-14 Vincent S. Kather , Sylvain Haupert , Burooj Ghani , Dan Stowell

Aggregate programming is a field-based coordination paradigm with over a decade of exploration and successful applications across domains including sensor networks, robotics, and IoT, with implementations in various programming languages,…

Software Engineering · Computer Science 2026-04-01 Gianluca Aguzzi , Davide Domini , Nicolas Farabegoli , Mirko Viroli

We introduce the ParClusterers Benchmark Suite (PCBS) -- a collection of highly scalable parallel graph clustering algorithms and benchmarking tools that streamline comparing different graph clustering algorithms and implementations. The…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-18 Shangdi Yu , Jessica Shi , Jamison Meindl , David Eisenstat , Xiaoen Ju , Sasan Tavakkol , Laxman Dhulipala , Jakub Łącki , Vahab Mirrokni , Julian Shun

Understanding astrophysical and cosmological processes can be challenging due to their complexity and lack of intuitive analogies. To address this, we present \texttt{AstronomyCalc}, a Python package specifically designed to aid…

Physics Education · Physics 2025-11-26 Sambit K. Giri

Combinatorial group testing reduces screening costs and turnaround time but remains challenging to apply due to design complexity, varying applicability, and lack of implementation tools. Here we present PoolPy, a unified end-to-end…

Information Theory · Computer Science 2026-02-26 Lorenzo Talamanca , Julian Trouillon

Simulations based on particle methods, such as Smoothed Particle Hydrodynamics (SPH), are known to be computationally demanding. While such methods have for long been executed in parallel on multi-core CPUs, in recent years the increasing…

Computational Engineering, Finance, and Science · Computer Science 2026-03-18 Xiangyu Hu , Alberto Guarnieri

Important computational physics problems are often large-scale in nature, and it is highly desirable to have robust and high performing computational frameworks that can quickly address these problems. However, it is no trivial task to…

Mathematical Software · Computer Science 2017-09-18 J. Chang , K. B. Nakshatrala , M. G. Knepley , L. Johnsson

The objective is to demonstrate the making of Ada software available to Python and Julia programmers using GPRbuild. GPRbuild is the project manager of the GNAT toolchain. With GPRbuild the making of shared object files is fully automated…

Programming Languages · Computer Science 2022-06-30 Jan Verschelde

In this work, we present scikit-fingerprints, a Python package for computation of molecular fingerprints for applications in chemoinformatics. Our library offers an industry-standard scikit-learn interface, allowing intuitive usage and easy…

Software Engineering · Computer Science 2025-08-12 Jakub Adamczyk , Piotr Ludynia

PaPy, which stands for parallel pipelines in Python, is a highly flexible framework that enables the construction of robust, scalable workflows for either generating or processing voluminous datasets. A workflow is created from user-written…

Programming Languages · Computer Science 2014-07-17 Marcin Cieslik , Cameron Mura

We present a Python toolbox for holographic and tomographic X-ray imaging. It comprises a collection of phase retrieval algorithms for the deeply holographic and direct contrast imaging regimes, including non-linear approaches and extended…

Optics · Physics 2025-11-03 Jens Lucht , Paul Meyer , Leon Merten Lohse , Tim Salditt

Many applications in the sciences require numerically stable and computationally efficient evaluation of multivariate polynomials. Finding beneficial representations of polynomials, such as Horner factorisations, is therefore crucial.…

Mathematical Software · Computer Science 2020-07-30 Jannik Michelfeit

Minimal problems in computer vision raise the demand of generating efficient automatic solvers for polynomial equation systems. Given a polynomial system repeated with different coefficient instances, the traditional Gr\"obner basis or…

Computer Vision and Pattern Recognition · Computer Science 2020-04-27 Bo Li , Viktor Larsson
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