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The dynamic mode decomposition (DMD) is a simple and powerful data-driven modeling technique that is capable of revealing coherent spatiotemporal patterns from data. The method's linear algebra-based formulation additionally allows for a…

InferPy is a Python package for probabilistic modeling with deep neural networks. It defines a user-friendly API that trades-off model complexity with ease of use, unlike other libraries whose focus is on dealing with very general…

Machine Learning · Computer Science 2020-02-13 Javier Cózar , Rafael Cabañas , Antonio Salmerón , Andrés R. Masegosa

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…

DisCoPy (Distributional Compositional Python) is an open source toolbox for computing with string diagrams and functors. In particular, the diagram data structure allows to encode various kinds of quantum processes, with functors for…

Quantum Physics · Physics 2022-05-12 Alexis Toumi , Giovanni de Felice , Richie Yeung

PoPPy is a Point Process toolbox based on PyTorch, which achieves flexible designing and efficient learning of point process models. It can be used for interpretable sequential data modeling and analysis, e.g., Granger causality analysis of…

Machine Learning · Computer Science 2019-10-14 Hongteng Xu

The pyFAI package has been designed to reduce X-ray diffraction images into powder diffraction curves to be further processed by scientists. This contribution describes how to convert an image into a radial profile using the Numpy package,…

Instrumentation and Methods for Astrophysics · Physics 2014-12-22 Jérôme Kieffer , Giannis Ashiotis

This paper describes a novel Python package, named causalgraph, for modeling and saving causal graphs embedded in knowledge graphs. The package has been designed to provide an interface between causal disciplines such as causal discovery…

Artificial Intelligence · Computer Science 2023-01-23 Sven Pieper , Carl Willy Mehling , Dominik Hirsch , Tobias Lüke , Steffen Ihlenfeldt

In this paper, we introduce eipy--an open-source Python package for developing effective, multi-modal heterogeneous ensembles for classification. eipy simultaneously provides both a rigorous, and user-friendly framework for comparing and…

Machine Learning · Computer Science 2024-12-11 Jamie J. R. Bennett , Aviad Susman , Yan Chak Li , Gaurav Pandey

The library \emph{fast\_polynomial} for Sage compiles multivariate polynomials for subsequent fast evaluation. Several evaluation schemes are handled, such as H\"orner, divide and conquer and new ones can be added easily. Notably, a new…

Symbolic Computation · Computer Science 2013-07-29 Guillaume Moroz

This paper describes the algorithms, features and implementation of PyDEC, a Python library for computations related to the discretization of exterior calculus. PyDEC facilitates inquiry into both physical problems on manifolds as well as…

Numerical Analysis · Computer Science 2012-02-28 Nathan Bell , Anil N. Hirani

PESummary is a Python software package for processing and visualising data from any parameter estimation code. The easy to use Python executable scripts and extensive online documentation has resulted in PESummary becoming a key component…

Instrumentation and Methods for Astrophysics · Physics 2021-08-12 Charlie Hoy , Vivien Raymond

Existing Python libraries and tools lack the ability to efficiently compute statistical test results for large datasets in the presence of missing values. This presents an issue as soon as constraints on runtime and memory availability…

Mathematical Software · Computer Science 2025-05-02 Fabian Woller , Lis Arend , Christian Fuchsberger , Markus List , David B. Blumenthal

Analysis on HEP data is an iterative process in which the results of one step often inform the next. In an exploratory analysis, it is common to perform one computation on a collection of events, then view the results (often with…

High Energy Physics - Experiment · Physics 2023-02-21 Aryan Roy , Jim Pivarski , Chad Wells Freer

The Python package fluidsim is introduced in this article as an extensible framework for Computational Fluid Mechanics (CFD) solvers. It is developed as a part of FluidDyn project (Augier et al., 2018), an effort to promote open-source and…

Computational Engineering, Finance, and Science · Computer Science 2019-07-31 Ashwin Vishnu Mohanan , Cyrille Bonamy , Miguel Calpe Linares , Pierre Augier

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

This paper introduces the practicalities and benefits of using SimPy, a discrete event simulation (DES) module written in Python, for modeling and simulating complex systems. Through a step-by-step exploration of the classical Dining…

Mathematical Software · Computer Science 2024-05-06 Dmitry Zinoviev

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

Upgradeability problems are a critical issue in modern operating systems. The problem consists in finding the "best" solution according to some criteria, to install, remove or upgrade packages in a given installation. This is a difficult…

Logic in Computer Science · Computer Science 2010-07-08 Claude Michel , Michel Rueher

Modern deep learning frameworks provide imperative, eager execution programming interfaces embedded in Python to provide a productive development experience. However, deep learning practitioners sometimes need to capture and transform…

Machine Learning · Computer Science 2022-03-08 James K. Reed , Zachary DeVito , Horace He , Ansley Ussery , Jason Ansel