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ATHENA is an open source Python package for reduction in parameter space. It implements several advanced numerical analysis techniques such as Active Subspaces (AS), Kernel-based Active Subspaces (KAS), and Nonlinear Level-set Learning…

Numerical Analysis · Mathematics 2022-04-19 Francesco Romor , Marco Tezzele , Gianluigi Rozza

PyGSTi is a Python software package for assessing and characterizing the performance of quantum computing processors. It can be used as a standalone application, or as a library, to perform a wide variety of quantum characterization,…

TextDescriptives is a Python package for calculating a large variety of metrics from text. It is built on top of spaCy and can be easily integrated into existing workflows. The package has already been used for analysing the linguistic…

Computation and Language · Computer Science 2023-10-30 Lasse Hansen , Ludvig Renbo Olsen , Kenneth Enevoldsen

Statistical models serve as the cornerstone for hypothesis testing in empirical studies. This paper introduces a new cross-platform Python-based package designed to utilise different likelihood prescriptions via a flexible plug-in system.…

High Energy Physics - Phenomenology · Physics 2024-01-29 Jack Y. Araz

ergodicity is an open-source Python library for computational work on stochastic dynamics, with particular emphasis on non-ergodicity, time-average behavior, heavy-tailed processes, and decision making under uncertainty. The package brings…

Computation · Statistics 2026-05-14 Ihor Kendiukhov

A recently introduced text classifier, called SS3, has obtained state-of-the-art performance on the CLEF's eRisk tasks. SS3 was created to deal with risk detection over text streams and, therefore, not only supports incremental training and…

Machine Learning · Computer Science 2020-07-21 Sergio G. Burdisso , Marcelo Errecalde , Manuel Montes-y-Gómez

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

Benchmarking and performance analysis play an important role in understanding the behaviour of iterative optimization heuristics (IOHs) such as local search algorithms, genetic and evolutionary algorithms, Bayesian optimization algorithms,…

Neural and Evolutionary Computing · Computer Science 2022-01-05 Hao Wang , Diederick Vermetten , Furong Ye , Carola Doerr , Thomas Bäck

This paper introduces Sparklen, a statistical learning toolkit for Hawkes processes in Python, designed to bring together efficiency and ease of use. The purpose of this package is to provide the Python community with a complete suite of…

Methodology · Statistics 2025-03-31 Romain Edmond Lacoste

relentless is an open-source Python package that enables the optimization of objective functions computed using molecular dynamics simulations. It has a high-level, extensible interface for model parametrization; setting up, running, and…

Soft Condensed Matter · Physics 2024-08-07 Adithya N Sreenivasan , C. Levi Petix , Zachary M. Sherman , Michael P. Howard

Benchmarking optimization algorithms is fundamental for the advancement of computational intelligence. However, widely adopted artificial test suites exhibit limited correspondence with the diversity and complexity of real-world engineering…

Computational Engineering, Finance, and Science · Computer Science 2026-04-17 Stefan Ivić , Siniša Družeta , Luka Grbčić

Both in the domains of Feature Selection and Interpretable AI, there exists a desire to `rank' features based on their importance. Such feature importance rankings can then be used to either: (1) reduce the dataset size or (2) interpret the…

Machine Learning · Computer Science 2022-07-12 Jeroen G. S. Overschie

Python's dynamic type system, while offering significant flexibility and expressiveness, poses substantial challenges for static analysis and automated tooling, particularly in unannotated or partially annotated codebases. Existing type…

Software Engineering · Computer Science 2026-04-08 Ali Aman , Muhammad Asaduzzaman , Shaowei Wang

A large amount of data is produced every second from modern information systems such as mobile devices, the world wide web, Internet of Things, social media, etc. Analysis and mining of this massive data requires a lot of advanced tools and…

Machine Learning · Computer Science 2020-01-13 Rising Odegua , Festus Ikpotokin

Binary classification is a fundamental task in machine learning, with applications spanning various scientific domains. Whether scientists are conducting fundamental research or refining practical applications, they typically assess and…

Machine Learning · Computer Science 2023-10-20 Attila Fazekas , György Kovács

Optimization by stochastic gradient descent is an important component of many large-scale machine learning algorithms. A wide variety of such optimization algorithms have been devised; however, it is unclear whether these algorithms are…

Machine Learning · Computer Science 2014-02-26 Tom Schaul , Ioannis Antonoglou , David Silver

The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…

Program analysis is a technique to reason about programs without executing them, and it has various applications in compilers, integrated development environments, and security. In this work, we present a machine learning pipeline that…

Programming Languages · Computer Science 2017-11-06 Wasuwee Sodsong , Bernhard Scholz , Sanjay Chawla

The current landscape of scientific research is widely based on modeling and simulation, typically with complexity in the simulation's flow of execution and parameterization properties. Execution flows are not necessarily straightforward…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-26 Eduardo Ponce , Brittany Stephenson , Suzanne Lenhart , Judy Day , Gregory D. Peterson

Within the last years, Python became more prominent in the scientific community and is now used for simulations, machine learning, and data analysis. All these tasks profit from additional compute power offered by parallelism and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-26 Andreas Gocht , Robert Schöne , Jan Frenzel