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We present PyXtal, a new package based on the Python programming language, used to generate structures with specific symmetry and chemical compositions for both atomic and molecular systems. This soft ware provides support for various…

Materials Science · Physics 2021-10-05 Scott Fredericks , Kevin Parrish , Dean Sayre , Qiang Zhu

scikit-multilearn is a Python library for performing multi-label classification. The library is compatible with the scikit/scipy ecosystem and uses sparse matrices for all internal operations. It provides native Python implementations of…

Machine Learning · Computer Science 2018-12-11 Piotr Szymański , Tomasz Kajdanowicz

Signature-based methods have recently gained significant traction in machine learning for sequential data. In particular, signature kernels have emerged as powerful discriminators and training losses for generative models on time-series,…

Machine Learning · Computer Science 2025-09-16 Daniil Shmelev , Cristopher Salvi

Bibliometric and Scientometric analyses offer invaluable perspectives on the complex research terrain and collaborative dynamics spanning diverse academic disciplines. This paper presents pyBibX, a python library devised to conduct…

Digital Libraries · Computer Science 2025-01-29 Valdecy Pereira , Marcio Pereira Basilio , Carlos Henrique Tarjano Santos

Correct performance assessment is crucial for evaluating modern artificial intelligence algorithms in medicine like deep-learning based medical image segmentation models. However, there is no universal metric library in Python for…

Computer Vision and Pattern Recognition · Computer Science 2022-01-25 Dominik Müller , Dennis Hartmann , Philip Meyer , Florian Auer , Iñaki Soto-Rey , Frank Kramer

PyPWA is a toolkit designed to optimize parametric models describing data and generate simulated distributions according to a model. Its software has been written within the python ecosystem with the goal of performing Amplitude or Partial…

Data Analysis, Statistics and Probability · Physics 2023-06-06 Mark Jones , Peter Hurck , William Phelps , Carlos W. Salgado

The problem of combinatorial multi-armed bandits with probabilistically triggered arms (CMAB-T) has been extensively studied. Prior work primarily focuses on either the online setting where an agent learns about the unknown environment…

Machine Learning · Computer Science 2025-12-29 Kongchang Zhou , Tingyu Zhang , Wei Chen , Fang Kong

py-irt is a Python library for fitting Bayesian Item Response Theory (IRT) models. py-irt estimates latent traits of subjects and items, making it appropriate for use in IRT tasks as well as ideal-point models. py-irt is built on top of the…

Computation and Language · Computer Science 2022-11-16 John P. Lalor , Pedro Rodriguez

E-commerce sites strive to provide users the most timely relevant information in order to reduce shopping frictions and increase customer satisfaction. Multi armed bandit models (MAB) as a type of adaptive optimization algorithms provide…

Information Retrieval · Computer Science 2021-08-23 Ding Xiang , Becky West , Jiaqi Wang , Xiquan Cui , Jinzhou Huang

Restless multi-armed bandits (RMABs) are a popular framework for algorithmic decision making in sequential settings with limited resources. RMABs are increasingly being used for sensitive decisions such as in public health, treatment…

Machine Learning · Computer Science 2023-08-22 Jackson A. Killian , Manish Jain , Yugang Jia , Jonathan Amar , Erich Huang , Milind Tambe

In this study, we delve into the Thresholding Linear Bandit (TLB) problem, a nuanced domain within stochastic Multi-Armed Bandit (MAB) problems, focusing on maximizing decision accuracy against a linearly defined threshold under resource…

Machine Learning · Computer Science 2024-03-12 Yun-Ang Wu , Yun-Da Tsai , Shou-De Lin

Libraries for supervised classification have enabled the wide-spread usage of machine learning methods. Existing libraries, such as scikit-learn, caret, and mlpack, implement techniques based on the classical empirical risk minimization…

This paper introduces pyRecLab, a software library written in C++ with Python bindings which allows to quickly train, test and develop recommender systems. Although there are several software libraries for this purpose, only a few let…

Software Engineering · Computer Science 2017-07-12 Gabriel Sepulveda , Vicente Dominguez , Denis Parra

This paper introduces torchsom, an open-source Python library that provides a reference implementation of the Self-Organizing Map (SOM) in PyTorch. This package offers three main features: (i) dimensionality reduction, (ii) clustering, and…

Machine Learning · Statistics 2025-10-14 Louis Berthier , Ahmed Shokry , Maxime Moreaud , Guillaume Ramelet , Eric Moulines

We introduce a new library named abess that implements a unified framework of best-subset selection for solving diverse machine learning problems, e.g., linear regression, classification, and principal component analysis. Particularly, the…

Machine Learning · Statistics 2024-04-02 Jin Zhu , Xueqin Wang , Liyuan Hu , Junhao Huang , Kangkang Jiang , Yanhang Zhang , Shiyun Lin , Junxian Zhu

$\textit{Pymc-learn}$ is a Python package providing a variety of state-of-the-art probabilistic models for supervised and unsupervised machine learning. It is inspired by $\textit{scikit-learn}$ and focuses on bringing probabilistic machine…

Machine Learning · Statistics 2018-11-05 Daniel Emaasit

PokerKit is an open-source Python library designed to overcome the restrictions of existing poker game simulation and hand evaluation tools, which typically support only a handful of poker variants and lack flexibility in game state…

Artificial Intelligence · Computer Science 2024-09-04 Juho Kim

Modern applications of survival analysis increasingly involve time-dependent covariates. The Python package BoXHED2.0 is a tree-boosted hazard estimator that is fully nonparametric, and is applicable to survival settings far more general…

Machine Learning · Computer Science 2023-09-08 Arash Pakbin , Xiaochen Wang , Bobak J. Mortazavi , Donald K. K. Lee

The purpose of this paper is twofold. On one side, we present a general framework for Bayesian optimization and we compare it with some related fields in active learning and Bayesian numerical analysis. On the other hand, Bayesian…

Robotics · Computer Science 2018-02-13 Ruben Martinez-Cantin

Performance of machine learning algorithms depends critically on identifying a good set of hyperparameters. While recent approaches use Bayesian optimization to adaptively select configurations, we focus on speeding up random search through…

Machine Learning · Computer Science 2018-06-20 Lisha Li , Kevin Jamieson , Giulia DeSalvo , Afshin Rostamizadeh , Ameet Talwalkar
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