Related papers: lcpy: an open-source python package for parametric…
The (py)LIon package is a set of tools to simulate the classical trajectories of ensembles of ions in electrodynamic traps. Molecular dynamics simulations are performed using LAMMPS, an efficient and feature-rich program. (py)LIon has been…
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…
The adoption of large language models (LLMs) as rerankers in multi-stage retrieval systems has gained significant traction in academia and industry. These models refine a candidate list of retrieved documents, often through carefully…
This paper introduces CUQIpy, a versatile open-source Python package for computational uncertainty quantification (UQ) in inverse problems, presented as Part I of a two-part series. CUQIpy employs a Bayesian framework, integrating prior…
Most learning-based approaches to complex physical reasoning sidestep the crucial problem of parameter identification (e.g., mass, friction) that governs scene dynamics, despite its importance in real-world applications such as collision…
autoScale.py is a program that performs an automatic finite-size scaling analysis for given sets of simulated data. It implements a quite general scaling assumption and optimizes an initial set of scaling parameters that enforce a data…
The study of trajectories is often a core task in several research fields. In environmental modelling, trajectories are crucial to study fluid pollution, animal migrations, oil slick patterns or land movements. In this contribution, we…
Scientific inference is often undermined by the vast but rarely explored "multiverse" of defensible modelling choices, which can generate results as variable as the phenomena under study. We introduce RobustiPy, an open-source Python…
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…
Qhronology is a novel scientific-computing package for studying quantum models of closed timelike curves (CTCs) and simulating general quantum information processing and computation. Written in Python, the program provides a comprehensive…
libact is a Python package designed to make active learning easier for general users. The package not only implements several popular active learning strategies, but also features the active-learning-by-learning meta-algorithm that assists…
Complexity analysis offers assurance of program's runtime behavior, but large classes of programs remain unanalyzable by existing automated techniques.The mwp-flow analysis sidesteps many difficulties shared by existing approaches, and…
BayesPy is an open-source Python software package for performing variational Bayesian inference. It is based on the variational message passing framework and supports conjugate exponential family models. By removing the tedious task of…
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…
Effective hydrodynamic modeling is crucial for accurately predicting fluid-particle interactions in diverse fields such as biophysics and materials science. Developing and implementing hydrodynamic algorithms is challenging due to the…
Efficient management of end-of-life (EoL) products is critical for advancing circularity in supply chains, particularly within the construction industry where EoL strategies are hindered by heterogenous lifecycle data and data silos.…
Automated documentation of programming source code is a challenging task with significant practical and scientific implications for the developer community. We present a large language model (LLM)-based application that developers can use…
We present the first public version (v0.2) of the open-source and community-developed Python package, Astropy. This package provides core astronomy-related functionality to the community, including support for domain-specific file formats…
StepMix is an open-source Python package for the pseudo-likelihood estimation (one-, two- and three-step approaches) of generalized finite mixture models (latent profile and latent class analysis) with external variables (covariates and…
Large Language Models (LLMs) have become a popular choice for many Natural Language Processing (NLP) tasks due to their versatility and ability to produce high-quality results. Specifically, they are increasingly used for automatic code…