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Python, as a multi-paradigm language known for its ease of integration with other languages, has gained significant attention among verification engineers recently. A Python-based verification environment capitalizes on open-source…
In recent years, there has been increasing interest in network diffusion models and related problems. The most popular of these are the independent cascade and linear threshold models. Much of the recent experimental work done on these…
Dynamically typed languages such as Python have become very popular. Among other strengths, Python's dynamic nature and its straightforward linking to native code have made it the de-facto language for many research areas such as Artificial…
The purpose of this paper is to show how existing scientific software can be parallelized using a separate thin layer of Python code where all parallel communication is implemented. We provide specific examples on such layers of code, and…
Tools for computing detailed optically thick spectral line profiles out of local thermodynamic equilibrium have always been focused on speed, due to the large computational effort involved. With the Lightweaver framework, we have produced a…
Motivated by the growing demand for low-precision arithmetic in computational science, we exploit lower-precision emulation in Python -- widely regarded as the dominant programming language for numerical analysis and machine learning.…
We investigate the use of tool-using coding agents to automate end-to-end workflows in the open-source CFD package OpenFOAM. Building on general-purpose coding agent interfaces, we introduce a lightweight configuration that guides an agent…
PyArmadillo is a linear algebra library for the Python language, with the aim of closely mirroring the programming interface of the widely used Armadillo C++ library, which in turn is deliberately similar to Matlab. PyArmadillo hence…
PyTorch \texttt{2.x} introduces a compiler designed to accelerate deep learning programs. However, for machine learning researchers, adapting to the PyTorch compiler to full potential can be challenging. The compiler operates at the Python…
Computational Fluid Dynamics (CFD) is widely used in aerospace, energy, and biology to model fluid flow, heat transfer, and chemical reactions. While Large Language Models (LLMs) have transformed various domains, their application in CFD…
Scientific computing requires handling large linear models, which are often composed of structured matrices. With increasing model size, dense representations quickly become infeasible to compute or store. Matrix-free implementations are…
GPU runtimes are historically implemented in CUDA or other vendor specific languages dedicated to GPU programming. In this work we show that OpenMP 5.1, with minor compiler extensions, is capable of replacing existing solutions without a…
Smarter applications are making better use of the insights gleaned from data, having an impact on every industry and research discipline. At the core of this revolution lies the tools and the methods that are driving it, from processing the…
A brief introduction to the Python computing environment is given. By solving the master equation encountered in quantum transport, we give an example of how to solve the ODE problems in Python. The ODE solvers used are the ZVODE routine in…
We introduce pymovements: a Python package for analyzing eye-tracking data that follows best practices in software development, including rigorous testing and adherence to coding standards. The package provides functionality for key…
Current research efforts in aeroelasticity aim at including higher fidelity aerodynamic results into the simulation frameworks. In the present effort, the Python--based Fluid--Structure Interaction framework of the well known SU2 code has…
Code execution is a fundamental aspect of programming language semantics that reflects the exact behavior of the code. However, most pre-trained models for code intelligence ignore the execution trace and only rely on source code and…
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…
The immersed boundary method (IB) is an elegant way to fully couple the motion of a fluid and deformations of an immersed elastic structure. In that vein, the IB2d software allows for expedited explorations of fluid-structure interaction…
OpenML is an online platform for open science collaboration in machine learning, used to share datasets and results of machine learning experiments. In this paper we introduce OpenML-Python, a client API for Python, opening up the OpenML…