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Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopic techniques. All optical, electron and scanning probe microscopy advanced with new detector technologies and integration of…

Instrumentation and Detectors · Physics 2023-03-01 Rama Vasudevan , Mani Valleti , Maxim Ziatdinov , Gerd Duscher , Suhas Somnath

In this paper, we present resolvent4py, a parallel Python package for the analysis, model reduction and control of large-scale linear systems with millions or billions of degrees of freedom. This package provides the user with a friendly…

PyOD is an open-source Python toolbox for performing scalable outlier detection on multivariate data. Uniquely, it provides access to a wide range of outlier detection algorithms, including established outlier ensembles and more recent…

Machine Learning · Computer Science 2019-06-12 Yue Zhao , Zain Nasrullah , Zheng Li

We make Bayesian Additive Regression Networks (BARN) available as a Python package, \texttt{barmpy}, with documentation at \url{https://dvbuntu.github.io/barmpy/} for general machine learning practitioners. Our object-oriented design is…

Computation · Statistics 2024-04-09 Danielle Van Boxel

Detecting microbial biomarkers used to predict disease phenotypes and clinical outcomes is crucial for disease early-stage screening and diagnosis. Most methods for biomarker identification are linear-based, which is very limited as…

Quantitative Methods · Quantitative Biology 2021-09-29 Jian Jiang

We present trainsum, a versatile Python package for doing computations with multidimensional quantics tensor trains: https://github.com/fh-igd-iet/trainsum. Using the Array API standard together with opt_einsum, trainsum allows the…

Mathematical Software · Computer Science 2026-02-25 Paul Haubenwallner , Matthias Heller

pyscreener is a Python library that seeks to alleviate the challenges of large-scale structure-based design using computational docking. It provides a simple and uniform interface that is agnostic to the backend docking engine with which to…

Quantitative Methods · Quantitative Biology 2022-05-05 David E. Graff , Connor W. Coley

This paper describes the numerical implementation in a high-performance computing environment of an open-source library for model order reduction in fluid dynamics. This library, called pyLOM, contains the algorithms of proper orthogonal…

Shape-constrained nonparametric regression is a growing area in econometrics, statistics, operations research, machine learning and related fields. In the field of productivity and efficiency analysis, recent developments in the…

Computation · Statistics 2021-09-28 Sheng Dai , Yu-Hsueh Fang , Chia-Yen Lee , Timo Kuosmanen

This exposition presents nimblewomble, a software package to perform wombling, or boundary analysis, using the nimble Bayesian hierarchical modeling language in the R statistical computing environment. Wombling is used widely to track…

Computation · Statistics 2025-04-11 Aritra Halder , Sudipto Banerjee

The problem of stability of the triangular libration points in the planar circular restricted three-body problem is considered. A software package, intended for normalization of autonomous Hamiltonian systems by means of computer algebra,…

Earth and Planetary Astrophysics · Physics 2013-12-30 I. I. Shevchenko

The growing popularity of neuro symbolic reasoning has led to the adoption of various forms of differentiable (i.e., fuzzy) first order logic. We introduce PyReason, a software framework based on generalized annotated logic that both…

Logic in Computer Science · Computer Science 2023-03-07 Dyuman Aditya , Kaustuv Mukherji , Srikar Balasubramanian , Abhiraj Chaudhary , Paulo Shakarian

We outline a new algorithm to solve coupled systems of differential equations in one continuous variable $x$ (resp. coupled difference equations in one discrete variable $N$) depending on a small parameter $\epsilon$: given such a system…

Symbolic Computation · Computer Science 2014-07-11 Johannes Bluemlein , Abilio De Freitas , Carsten Schneider

This paper introduces a new Python package specifically designed to address calibration of probabilistic classifiers under dataset shift. The method is demonstrated in binary and multi-class settings and its effectiveness is measured…

Machine Learning · Computer Science 2025-09-16 Ivan Petej

Procedural planning aims to implement complex high-level goals by decomposition into sequential simpler low-level steps. Although procedural planning is a basic skill set for humans in daily life, it remains a challenge for large language…

Computation and Language · Computer Science 2023-02-17 Yujie Lu , Weixi Feng , Wanrong Zhu , Wenda Xu , Xin Eric Wang , Miguel Eckstein , William Yang Wang

Scikit-learn is a Python module integrating a wide range of state-of-the-art machine learning algorithms for medium-scale supervised and unsupervised problems. This package focuses on bringing machine learning to non-specialists using a…

In this paper we present Chaoticus, a Python-based package for the GPU-accelerated integration of ODE systems and the computation of chaos indicators, including SALI, GALI, Lagrangian Descriptors based indicators and the Lyapunov exponent…

Chaotic Dynamics · Physics 2025-07-02 Javier Jiménez-López , José Sáez-Landete , Victor J. García-Garrido

We present the Physics-Informed Low-Rank Neural Operator (PILNO), a neural operator framework for efficiently approximating solution operators of partial differential equations (PDEs) on point cloud data. PILNO combines low-rank kernel…

Numerical Analysis · Mathematics 2025-09-10 Sebastian Schaffer , Lukas Exl

In a polynomial regression model, the divisibility conditions implicit in polynomial hierarchy give way to a natural construction of constraints for the model parameters. We use this principle to derive versions of strong and weak hierarchy…

Computation · Statistics 2020-01-23 Hugo Maruri-Aguilar , Simon Lunagomez

We introduce Geomstats, an open-source Python toolbox for computations and statistics on nonlinear manifolds, such as hyperbolic spaces, spaces of symmetric positive definite matrices, Lie groups of transformations, and many more. We…