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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

Zernike polynomials serve as an orthogonal basis on the unit disc, and have proven to be effective in optics simulations, astrophysics, and more recently in plasma simulations. Unlike Bessel functions, Zernike polynomials are inherently…

Performance · Computer Science 2025-11-25 Yigit Gunsur Elmacioglu , Rory Conlin , Daniel W. Dudt , Dario Panici , Egemen Kolemen

Probabilistic numerical methods (PNMs) solve numerical problems via probabilistic inference. They have been developed for linear algebra, optimization, integration and differential equation simulation. PNMs naturally incorporate prior…

We present Paicos, a new object-oriented Python package for analyzing simulations performed with Arepo. Paicos strives to reduce the learning curve for students and researchers getting started with Arepo simulations. As such, Paicos…

Instrumentation and Methods for Astrophysics · Physics 2024-04-24 Thomas Berlok , Léna Jlassi , Ewald Puchwein , Troels Haugbølle

Solving partial differential equations (PDEs) with machine learning has recently attracted great attention, as PDEs are fundamental tools for modeling real-world systems that range from fundamental physical science to advanced engineering…

Machine Learning · Computer Science 2025-05-26 Changfan Yang , Lichen Bai , Yinpeng Wang , Shufei Zhang , Zeke Xie

Firedrake is a new tool for automating the numerical solution of partial differential equations. Firedrake adopts the domain-specific language for the finite element method of the FEniCS project, but with a pure Python runtime-only…

In this paper we demonstrate a new technique for deriving discrete adjoint and tangent linear models of finite element models. The technique is significantly more efficient and automatic than standard algorithmic differentiation techniques.…

Mathematical Software · Computer Science 2013-10-17 Patrick E. Farrell , David A. Ham , Simon F. Funke , Marie E. Rognes

Aggregate programming is a field-based coordination paradigm with over a decade of exploration and successful applications across domains including sensor networks, robotics, and IoT, with implementations in various programming languages,…

Software Engineering · Computer Science 2026-04-01 Gianluca Aguzzi , Davide Domini , Nicolas Farabegoli , Mirko Viroli

DESlib is an open-source python library providing the implementation of several dynamic selection techniques. The library is divided into three modules: (i) \emph{dcs}, containing the implementation of dynamic classifier selection methods…

Machine Learning · Computer Science 2020-03-06 Rafael M. O. Cruz , Luiz G. Hafemann , Robert Sabourin , George D. C. Cavalcanti

Machine learning-based modeling of physical systems has experienced increased interest in recent years. Despite some impressive progress, there is still a lack of benchmarks for Scientific ML that are easy to use but still challenging and…

Even todays most advanced machine learning models are easily fooled by almost imperceptible perturbations of their inputs. Foolbox is a new Python package to generate such adversarial perturbations and to quantify and compare the robustness…

Machine Learning · Computer Science 2018-03-21 Jonas Rauber , Wieland Brendel , Matthias Bethge

The yaglm package aims to make the broader ecosystem of modern generalized linear models accessible to data analysts and researchers. This ecosystem encompasses a range of loss functions (e.g. linear, logistic, quantile regression),…

Computation · Statistics 2021-10-13 Iain Carmichael , Thomas Keefe , Naomi Giertych , Jonathan P Williams

Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…

Machine Learning · Computer Science 2021-08-19 Karl Otness , Arvi Gjoka , Joan Bruna , Daniele Panozzo , Benjamin Peherstorfer , Teseo Schneider , Denis Zorin

The intrusive (sample-free) spectral stochastic finite element method (SSFEM) is a powerful numerical tool for solving stochastic partial differential equations (PDEs). However, it is not widely adopted in academic and industrial…

Numerical Analysis · Mathematics 2022-09-20 Ajit Desai

The research in Artificial Intelligence methods with potential applications in science has become an essential task in the scientific community last years. Physics Informed Neural Networks (PINNs) is one of this methods and represent a…

Computational Physics · Physics 2023-07-24 Luis Medrano Navarro , Luis Martín Moreno , Sergio G Rodrigo

Automatic differentiation represents a paradigm shift in scientific programming, where evaluating both functions and their derivatives is required for most applications. By removing the need to explicitly derive expressions for gradients,…

Chemical Physics · Physics 2022-06-29 Muhammad F. Kasim , Susi Lehtola , Sam M. Vinko

We introduce FrontierCS, a benchmark of 156 open-ended problems across diverse areas of computer science, designed and reviewed by experts, including CS PhDs and top-tier competitive programming participants and problem setters. Unlike…

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…

Dynamic programming (DP) is a fundamental and powerful algorithmic paradigm taught in most undergraduate (and many graduate) algorithms classes. DP problems are challenging for many computer science students because they require identifying…

Computers and Society · Computer Science 2024-11-13 David H. Lee , Aditya Prasad , Ramiro Deo-Campo Vuong , Tianyu Wang , Eric Han , David Kempe

We present MadAnalysis 5, an analysis package dedicated to phenomenological studies of simulated collisions occurring in high-energy physics experiments. Within this framework, users are invited, through a user-friendly Python interpreter,…

High Energy Physics - Phenomenology · Physics 2015-05-27 Eric Conte , Béranger Dumont , Benjamin Fuks , Thibaut Schmitt
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