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This paper presents Deepchecks, a Python library for comprehensively validating machine learning models and data. Our goal is to provide an easy-to-use library comprising of many checks related to various types of issues, such as model…

pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…

Instrumentation and Methods for Astrophysics · Physics 2022-06-01 Adam Ginsburg , Vlas Sokolov , Miguel de Val-Borro , Erik Rosolowsky , Jaime E. Pineda , Brigitta M. Sipőcz , Jonathan D. Henshaw

Uncertainty quantification using Bayesian methods is a growing area of research. Bayesian model mixing (BMM) is a recent development which combines the predictions from multiple models such that each model's best qualities are preserved in…

Nuclear Theory · Physics 2023-11-01 Kevin Ingles , Dananjaya Liyanage , Alexandra C. Semposki , John C. Yannotty

Python has emerged as one of the most popular programming languages, extensively utilized in domains such as machine learning, data analysis, and web applications. Python's dynamic nature and extensive usage make it an attractive candidate…

Software Engineering · Computer Science 2024-03-04 Islem Bouzenia , Bajaj Piyush Krishan , Michael Pradel

Artificial neural networks (NNs) have become the de facto standard in machine learning. They allow learning highly nonlinear transformations in a plethora of applications. However, NNs usually only provide point estimates without…

Machine Learning · Statistics 2020-09-11 Marco F. Huber

A major trend in academia and data science is the rapid adoption of Bayesian statistics for data analysis and modeling, leading to the development of probabilistic programming languages (PPL). A PPL provides a framework that allows users to…

Instrumentation and Methods for Astrophysics · Physics 2021-02-15 James. W. Nightingale , Richard G. Hayes , Matthew Griffiths

In this work, we review the theory involved in the Bayesian calibration of complex computer models, with particular emphasis on their use for applications involving computationally expensive simulations and scarce experimental data. In the…

Computation · Statistics 2026-02-02 Christina Schenk , Ignacio Romero

Most implementations of Bayesian additive regression trees (BART) one-hot encode categorical predictors, replacing each one with several binary indicators, one for every level or category. Regression trees built with these indicators…

Methodology · Statistics 2024-08-14 Sameer K. Deshpande

This paper introduces the shapr R package, a versatile tool for generating Shapley value-based prediction explanations for machine learning and statistical regression models. Moreover, the shaprpy Python library brings the core capabilities…

Machine Learning · Computer Science 2026-02-03 Martin Jullum , Lars Henry Berge Olsen , Jon Lachmann , Annabelle Redelmeier

The increasing importance of Computational Science and Engineering has highlighted the need for high-quality scientific software. However, research software development is often hindered by limited funding, time, staffing, and technical…

Software Engineering · Computer Science 2025-03-10 Armin Ariamajd , Raquel López-Ríos de Castro , Andrea Volkamer

The direpack package aims to establish a set of modern statistical dimension reduction techniques into the Python universe as a single, consistent package. The dimension reduction methods included resort into three categories: projection…

Computation · Statistics 2020-06-03 Emmanuel Jordy Menvouta , Sven Serneels , Tim Verdonck

Space-filling experimental design techniques are commonly used in many computer modeling and simulation studies to explore the effects of inputs on outputs. This research presents raxpy, a Python package that leverages expressive annotation…

Mathematical Software · Computer Science 2025-01-08 Neil Ranly , Torrey Wagner

Galaxy morphological classification is a fundamental aspect of galaxy formation and evolution studies. Various machine learning tools have been developed for automated pipeline analysis of large-scale surveys, enabling a fast search for…

Instrumentation and Methods for Astrophysics · Physics 2022-06-15 Yash Gondhalekar , Rafael S. de Souza , Ana L. Chies-Santos

This paper introduces the R package BayesVarSel which implements objective Bayesian methodology for hypothesis testing and variable selection in linear models. The package computes posterior probabilities of the competing hypotheses/models…

Other Statistics · Statistics 2016-11-28 Gonzalo Garcia-Donato , Anabel Forte

A Bayesian network is a widely used probabilistic graphical model with applications in knowledge discovery and prediction. Learning a Bayesian network (BN) from data can be cast as an optimization problem using the well-known…

Artificial Intelligence · Computer Science 2018-11-14 Zhenyu A. Liao , Charupriya Sharma , James Cussens , Peter van Beek

In this technical report, we describe a new version of SimpleSBML which provides an easier to use interface to python-libSBML allowing users of Python to more easily construct, edit, and inspect SBML based models. The most commonly used…

Molecular Networks · Quantitative Biology 2021-08-20 Herbert M Sauro

We present a Bayesian nonparametric model for conditional distribution estimation using Bayesian additive regression trees (BART). The generative model we use is based on rejection sampling from a base model. Typical of BART models, our…

Methodology · Statistics 2022-02-02 Yinpu Li , Antonio R. Linero , Jared S. Murray

varstan is an \proglang{R} package for Bayesian analysis of time series models using \proglang{Stan}. The package offers a dynamic way to choose a model, define priors in a wide range of distributions, check model's fit, and forecast with…

Computation · Statistics 2020-05-22 Izhar Asael Alonzo Matamoros , Cristian Andres Cruz Torres

As a compact representation of joint probability distributions over a dependence graph of random variables, and a tool for modelling and reasoning in the presence of uncertainty, Bayesian networks are of great importance for artificial…

Quantum Physics · Physics 2020-10-06 Michael de Oliveira , Luis Soares Barbosa

This paper focuses on the Bayesian Network Propensity Score (BNPS), a novel approach for estimating treatment effects in observational studies characterized by unknown (and likely unbalanced) designs and complex dependency structures among…