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This paper presents PyJobShop, an open-source Python library for solving scheduling problems with constraint programming. PyJobShop provides an easy-to-use modeling interface that supports a wide variety of scheduling problems, including…

Optimization and Control · Mathematics 2025-02-20 Leon Lan , Joost Berkhout

Automatic research with Large Language Models (LLMs) is rapidly gaining importance, driving the development of increasingly complex workflows involving multi-agent systems, planning, tool usage, code execution, and human-agent interaction…

Computation and Language · Computer Science 2025-10-09 Haofei Yu , Keyang Xuan , Fenghai Li , Kunlun Zhu , Zijie Lei , Jiaxun Zhang , Ziheng Qi , Kyle Richardson , Jiaxuan You

Mathematical models allow us to gain a deeper understanding of real-world dynamical systems. One of the most powerful mathematical frameworks for modeling real-world phenomena are systems of differential equations. In the majority of fields…

Disordered Systems and Neural Networks · Physics 2023-05-02 Richard Gast , Thomas R. Knösche , Ann Kennedy

According to the FAIR (findability, accessibility, interoperability, and reusability) principles, scientific data should always be stored with machine-readable descriptive metadata. Existing solutions to store data with metadata, such as…

Databases · Computer Science 2024-09-12 Albert K. Engstfeld , Johannes M. Hermann , Nicolas G. Hörmann , Julian Rüth

In this paper, we discuss the need for an integrated software stack that unites artificial intelligence (AI) and modeling and simulation (ModSim) tools to advance scientific discovery. The authors advocate for a unified AI/ModSim software…

Software Engineering · Computer Science 2024-11-15 Michael A. Heroux , Sameer Shende , Lois Curfman McInnes , Todd Gamblin , James M. Willenbring

Bayesian Knowledge Tracing, a model used for cognitive mastery estimation, has been a hallmark of adaptive learning research and an integral component of deployed intelligent tutoring systems (ITS). In this paper, we provide a brief history…

Mathematical Software · Computer Science 2021-06-01 Anirudhan Badrinath , Frederic Wang , Zachary Pardos

Retrieval-augmented generation is increasingly effective in answering scientific questions from literature, but many state-of-the-art systems are expensive and closed-source. We introduce Ai2 Scholar QA, a free online scientific question…

Modern data science research can involve massive computational experimentation; an ambitious PhD in computational fields may do experiments consuming several million CPU hours. Traditional computing practices, in which researchers use…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-01-28 Hatef Monajemi , Riccardo Murri , Eric Jonas , Percy Liang , Victoria Stodden , David L. Donoho

DerivKit is a Python package for derivative-based statistical inference. It implements stable numerical differentiation and derivative assembly utilities for Fisher-matrix forecasting and higher-order likelihood approximations in scientific…

Instrumentation and Methods for Astrophysics · Physics 2026-02-10 Nikolina Šarčević , Matthijs van der Wild , Cynthia Trendafilova

Scikit-network is a Python package inspired by scikit-learn for the analysis of large graphs. Graphs are represented by their adjacency matrix in the sparse CSR format of SciPy. The package provides state-of-the-art algorithms for ranking,…

Social and Information Networks · Computer Science 2020-09-17 Thomas Bonald , Nathan de Lara , Quentin Lutz , Bertrand Charpentier

Reproducibility is a core requirement of modern scientific research. For computational research, reproducibility means that code should produce the same results, even when run on different systems. A standard approach to ensuring…

Other Computer Science · Computer Science 2023-10-03 Paxton C. Fitzpatrick , Jeremy R. Manning

Statistical modeling is a key element in many scientific fields and especially in High-Energy Physics (HEP) analysis. The standard framework to perform this task in HEP is the C++ ROOT/RooFit toolkit; with Python bindings that are only…

Data Analysis, Statistics and Probability · Physics 2020-05-21 Jonas Eschle , Albert Puig Navarro , Rafael Silva Coutinho , Nicola Serra

GitHub, renowned for facilitating collaborative code version control and software production in software teams, expanded its services in 2017 by introducing GitHub Marketplace. This online platform hosts automation tools to assist…

Software Engineering · Computer Science 2024-07-09 SK Golam Saroar , Waseefa Ahmed , Elmira Onagh , Maleknaz Nayebi

Machine learning is a general-purpose technology holding promises for many interdisciplinary research problems. However, significant barriers exist in crossing disciplinary boundaries when most machine learning tools are developed in…

Machine Learning · Computer Science 2021-06-21 Haiping Lu , Xianyuan Liu , Robert Turner , Peizhen Bai , Raivo E Koot , Shuo Zhou , Mustafa Chasmai , Lawrence Schobs

The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…

Instrumentation and Methods for Astrophysics · Physics 2025-12-23 Daniele Gasparri , Lorenzo Morelli , Umberto Battino , Jairo Méndez Abreu , Adriana de Lorenzo-Cáceres

Conducting research often involves managing multiple disconnected tools for survey design, data collection, response analysis, and report generation, leading to inefficiencies, increased error risks, and challenges in ensuring…

Computation · Statistics 2025-08-11 Clievins Selva

Background: Digital Image Correlation (DIC) is a widely used full-field measurement technique, but both open-source and commercial packages often have limitations such as operating-system restrictions, lack of support for deployment on…

Image and Video Processing · Electrical Eng. & Systems 2026-02-02 Joel Hirst , Lorna Sibson , Adel Tayeb , Ben Poole , Megan Sampson , Wiera Bielajewa , Michael Atkinson , Alex Marsh , Rory Spencer , Rob Hamill , Cory Hamelin , Allan Harte , Lloyd Fletcher

Qualitative research delves deeply into individual complex perspectives on technology and various phenomena. However, a meticulous analysis of qualitative data often requires a significant amount of time, especially during the crucial…

Human-Computer Interaction · Computer Science 2023-10-12 He Zhang , Chuhao Wu , Jingyi Xie , ChanMin Kim , John M. Carroll

Advances in high-throughput simulation (HTS) software enabled computational databases and big data to become common resources in materials science. However, while computational power is increasingly larger, software packages orchestrating…

Computational Physics · Physics 2023-12-22 Daniel Schwalbe-Koda

PyExperimenter is a tool to facilitate the setup, documentation, execution, and subsequent evaluation of results from an empirical study of algorithms and in particular is designed to reduce the involved manual effort significantly. It is…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-24 Tanja Tornede , Alexander Tornede , Lukas Fehring , Lukas Gehring , Helena Graf , Jonas Hanselle , Felix Mohr , Marcel Wever