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SfePy (Simple finite elements in Python) is a software for solving various kinds of problems described by partial differential equations in one, two or three spatial dimensions by the finite element method. Its source code is mostly (85\%)…

Mathematical Software · Computer Science 2019-08-20 Robert Cimrman , Vladimír Lukeš , Eduard Rohan

We present PyCDFT, a Python package to compute diabatic states using constrained density functional theory (CDFT). PyCDFT provides an object-oriented, customizable implementation of CDFT, and allows for both single-point…

Materials Science · Physics 2020-07-07 He Ma , Wennie Wang , Siyoung Kim , Man-Hin Cheng , Marco Govoni , Giulia Galli

PySEMTools is a Python-based library for post-processing simulation data produced with high-order hexahedral elements in the context of the spectral element method in computational fluid dynamics. It aims to minimize intermediate steps…

Computational Physics · Physics 2025-04-18 Adalberto Perez , Siavash Toosi , Tim Felle Olsen , Stefano Markidis , Philipp Schlatter

The Standards of Fundamental Astronomy (SOFA) is a service provided by the International Astronomical Union (IAU) that offers algorithms and software for astronomical calculations, which was released in two versions by FORTRAN 77 and ANSI…

Instrumentation and Methods for Astrophysics · Physics 2023-10-18 Jianghui Ji , Dongjie Tan , Chunhui Bao , Xiumin Huang , Shoucun Hu , Yao Dong , Su Wang

The traditional approach in HEP analysis software is to loop over every event and every object via the ROOT framework. This method follows an imperative paradigm, in which the code is tied to the storage format and steps of execution. A…

Data Analysis, Statistics and Probability · Physics 2021-09-08 Mason Proffitt , Gordon Watts

The goal of hyperparameter tuning (or hyperparameter optimization) is to optimize the hyperparameters to improve the performance of the machine or deep learning model. spotPython (``Sequential Parameter Optimization Toolbox in Python'') is…

Machine Learning · Computer Science 2023-06-08 Thomas Bartz-Beielstein

Despite the remarkable progress in the development of predictive models for healthcare, applying these algorithms on a large scale has been challenging. Algorithms trained on a particular task, based on specific data formats available in a…

Machine Learning · Computer Science 2023-11-16 Kyunghoon Hur , Jungwoo Oh , Junu Kim , Jiyoun Kim , Min Jae Lee , Eunbyeol Cho , Seong-Eun Moon , Young-Hak Kim , Louis Atallah , Edward Choi

Photoplethysmography is a non-invasive optical technique that measures changes in blood volume within tissues. It is commonly and increasingly used for in a variety of research and clinical application to assess vascular dynamics and…

Medical Physics · Physics 2023-09-26 Marton A. Goda , Peter H. Charlton , Joachim A. Behar

We introduce an open source python framework named PHS - Parallel Hyperparameter Search to enable hyperparameter optimization on numerous compute instances of any arbitrary python function. This is achieved with minimal modifications inside…

Machine Learning · Computer Science 2020-02-28 Peter Michael Habelitz , Janis Keuper

Trajectories, sequentially measured quantities that form a path, are an important presence in many different fields, from hadronic beams in physics to electrocardiograms in medicine. Trajectory anal-ysis requires the quantification and…

Quantitative Methods · Quantitative Biology 2023-08-23 Maurício Moreira-Soares , Eduardo Mossmann , Rui D. M. Travasso , José Rafael Bordin

This article introduces the Mathematica package \emph{HEPMath} which provides a number of utilities and algorithms for High Energy Physics computations in Mathematica. Its functionality is similar to packages like FormCalc or FeynCalc, but…

High Energy Physics - Phenomenology · Physics 2015-07-08 Martin Wiebusch

PINT is a pure-Python framework for high-precision pulsar timing developed on top of widely used and well-tested Python libraries, supporting both interactive and programmatic data analysis workflows. We present a new frequentist framework…

We describe our contribution as industrial stakeholders to the existing open-source GPU4PySCF project (https: //github.com/pyscf/gpu4pyscf), a GPU-accelerated Python quantum chemistry package. We have integrated GPU acceleration into other…

Reinforcement Learning from Human Feedback (RLHF) has become a pivotal paradigm in artificial intelligence to align large models with human preferences. In this paper, we propose a novel statistical framework to simultaneously conduct the…

Machine Learning · Statistics 2026-05-01 Nan Lu , Ethan Lee , Ethan X. Fang , Junwei Lu

We present a flexible, open-source Python package for the accurate simulation of the $z$-propagation dynamics of ultrashort optical pulses in nonlinear waveguides, especially valid for few-cycle pulses and their interaction. The simulation…

Optics · Physics 2022-01-05 O. Melchert , A. Demircan

Integrated information theory provides a mathematical framework to fully characterize the cause-effect structure of a physical system. Here, we introduce PyPhi, a Python software package that implements this framework for causal analysis…

Neurons and Cognition · Quantitative Biology 2018-08-16 William G. P. Mayner , William Marshall , Larissa Albantakis , Graham Findlay , Robert Marchman , Giulio Tononi

Testing (conditional) independence of multivariate random variables is a task central to statistical inference and modelling in general - though unfortunately one for which to date there does not exist a practicable workflow. State-of-art…

Machine Learning · Statistics 2018-05-01 Samuel Burkart , Franz J Király

In time series analysis, traditional bootstrapping methods often fall short due to their assumption of data independence, a condition rarely met in time-dependent data. This paper introduces tsbootstrap, a python package designed…

Applications · Statistics 2024-04-24 Sankalp Gilda , Benedikt Heidrich , Franz Kiraly

We propose a framework for performing differentiable geometric modeling based on the Function Representation (FRep). The framework is built on top of modern libraries for performing automatic differentiation allowing us to obtain…

Graphics · Computer Science 2025-04-22 Pierre-Alain Fayolle , Evgenii Maltsev

Precision measurements at the LHC often require analyzing high-dimensional event data for subtle kinematic signatures, which is challenging for established analysis methods. Recently, a powerful family of multivariate inference techniques…

High Energy Physics - Phenomenology · Physics 2020-01-22 Johann Brehmer , Felix Kling , Irina Espejo , Kyle Cranmer