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Alloy cluster expansions (CEs) provide an accurate and computationally efficient mapping of the potential energy surface of multi-component systems that enables comprehensive sampling of the many-dimensional configuration space. Here, we…

As neuroimaging databases grow in size and complexity, the time researchers spend investigating and managing the data increases to the expense of data analysis. As a result, investigators rely more and more heavily on scripting using…

The study of complex many-body systems via analysis of the trajectories of the units that dynamically move and interact within them is a non-trivial task. The workflow for extracting meaningful information from the raw trajectory data is…

Materials Science · Physics 2025-10-31 Simone Martino , Matteo Becchi , Andrew Tarzia , Daniele Rapetti , Giovanni M. Pavan

Soundata is a Python library for loading and working with audio datasets in a standardized way, removing the need for writing custom loaders in every project, and improving reproducibility by providing tools to validate data against a…

IVISIT is a generic interactive visual simulation tool that is based on Python/Numpy and can be used for system simulation, parameter optimization, parameter management, and visualization of system dynamics as required, for example,for…

Human-Computer Interaction · Computer Science 2024-08-13 Andreas Knoblauch

This paper introduces scikit-hubness, a Python package for efficient nearest neighbor search in high-dimensional spaces. Hubness is an aspect of the curse of dimensionality, and is known to impair various learning tasks, including…

Machine Learning · Computer Science 2021-01-12 Roman Feldbauer , Thomas Rattei , Arthur Flexer

Difficulty replicating baselines, high computational costs, and required domain expertise create persistent barriers to clinical AI research. To address these challenges, we introduce PyHealth 2.0, an enhanced clinical deep learning toolkit…

We present Pylot, a platform for autonomous vehicle (AV) research and development, built with the goal to allow researchers to study the effects of the latency and accuracy of their models and algorithms on the end-to-end driving behavior…

Robotics · Computer Science 2021-12-14 Ionel Gog , Sukrit Kalra , Peter Schafhalter , Matthew A. Wright , Joseph E. Gonzalez , Ion Stoica

We present nbodykit, an open-source, massively parallel Python toolkit for analyzing large-scale structure (LSS) data. Using Python bindings of the Message Passing Interface (MPI), we provide parallel implementations of many commonly used…

Instrumentation and Methods for Astrophysics · Physics 2018-10-31 Nick Hand , Yu Feng , Florian Beutler , Yin Li , Chirag Modi , Uros Seljak , Zachary Slepian

Since Lorenz's seminal work on a simplified weather model, the numerical analysis of nonlinear dynamical systems has become one of the main subjects of research in physics. Despite of that, there remains a need for accessible, efficient,…

\textsc{Pykat} is a Python package which extends the popular optical interferometer modelling software \textsc{Finesse}. It provides a more modern and efficient user interface for conducting complex numerical simulations, as well as…

Instrumentation and Methods for Astrophysics · Physics 2020-04-16 Daniel D. Brown , Philip Jones , Samuel Rowlinson , Andreas Freise , Sean Leavey , Anna C. Green , Daniel Toyra

Call graph construction is the foundation of inter-procedural static analysis. PYCG is the state-of-the-art approach for constructing call graphs for Python programs. Unfortunately, PyCG does not scale to large programs when adapted to…

Software Engineering · Computer Science 2024-09-11 Kaifeng Huang , Yixuan Yan , Bihuan Chen , Zixin Tao , Xin Peng

In this work we propose a software platform for the collection, visualization, management and analysis of heterogeneous and multisource data for soil characteristics estimation. The platform is designed in such a way that it can easily…

Computers and Society · Computer Science 2022-11-14 Flavio Piccoli , Simone Locatelli , Paolo Napoletano , Raimondo Schettini

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

The library scikit-fda is a Python package for Functional Data Analysis (FDA). It provides a comprehensive set of tools for representation, preprocessing, and exploratory analysis of functional data. The library is built upon and integrated…

Plyades: A Python Library for Space Mission Design Designing a space mission is a computation-heavy task. Software tools that conduct the necessary numerical simulations and optimizations are therefore indispensable. The usability of…

Instrumentation and Methods for Astrophysics · Physics 2016-07-05 Helge Eichhorn , Reiner Anderl

Recent advances in large language models (LLMs) have fueled growing interest in automating geospatial analysis and GIS workflows, yet their actual capabilities remain uncertain. In this work, we call for rigorous evaluation of LLMs on…

Software Engineering · Computer Science 2025-09-09 Qianheng Zhang , Song Gao , Chen Wei , Yibo Zhao , Ying Nie , Ziru Chen , Shijie Chen , Yu Su , Huan Sun

AsaPy is a custom-made Python library designed to simplify and optimize the analysis of aerospace simulation data. Instead of introducing new methodologies, it excels in combining various established techniques, creating a unified,…

Acquiring, processing, and visualizing geospatial data requires significant computing resources, especially for large spatio-temporal domains. This challenge hinders the rapid discovery of predictive features, which is essential for…

Computer Vision and Pattern Recognition · Computer Science 2024-12-23 Akram Zaytar , Girmaw Abebe Tadesse , Caleb Robinson , Eduardo G. Bendito , Medha Devare , Meklit Chernet , Gilles Q. Hacheme , Rahul Dodhia , Juan M. Lavista Ferres

In the exascale computing era, handling and analyzing massive datasets have become extremely challenging. In situ analysis, which processes data during simulation runtime and bypasses costly intermediate disk input and output steps, offers…

Instrumentation and Methods for Astrophysics · Physics 2026-05-11 Shin-Rong Tsai , Hsi-Yu Schive , Matthew J. Turk