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From descent theory to higher geometry, the idea of gluing has been embedded in many elegant and powerful techniques, proving instrumental for the solution of many problems. In this paper, we introduce a framework that allows to link…

Category Theory · Mathematics 2026-02-25 Rita Fioresi , Angelica Simonetti , Ferdinando Zanchetta

We present ensmallen, a fast and flexible C++ library for mathematical optimization of arbitrary user-supplied functions, which can be applied to many machine learning problems. Several types of optimizations are supported, including…

Mathematical Software · Computer Science 2018-12-11 Shikhar Bhardwaj , Ryan R. Curtin , Marcus Edel , Yannis Mentekidis , Conrad Sanderson

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

OpenFMO framework, an open-source software (OSS) platform for Fragment Molecular Orbital (FMO) method, is extended to multi-physics simulations (MPS). After reviewing the several FMO implementations on distributed computer environments, the…

Distributed, Parallel, and Cluster Computing · Computer Science 2009-09-29 Toshiya Takami , Jun Maki , Jun'ichi Ooba , Yuuichi Inadomi , Hiroaki Honda , Ryutaro Susukita , Koji Inoue , Taizo Kobayashi , Rie Nogita , Mutsumi Aoyagi

In this paper, we present an open-source multi-resolution and multi-physics library: SPHinXsys (pronunciation: s'finksis) which is an acronym for \underline{S}moothed \underline{P}article \underline{H}ydrodynamics (SPH) for…

Computational Physics · Physics 2021-07-14 Chi Zhang , Massoud Rezavand , Yujie Zhu , Yongchuan Yu , Dong Wu , Wenbin Zhang , Jianhang Wang , Xiangyu Hu

Code generation based software platforms, such as Firedrake, have become popular tools for developing complicated finite element discretisations of partial differential equations. We extended the code generation infrastructure in Firedrake…

Mathematical Software · Computer Science 2017-11-08 Miklós Homolya , Robert C. Kirby , David A. Ham

We present an open-source simulation framework for optically detected magnetic resonance, developed in Python. The framework allows users to construct, manipulate, and evolve multipartite quantum systems that consist of spins and electronic…

Quantum Physics · Physics 2025-01-13 Laura A. Völker , John M. Abendroth , Christian L. Degen , Konstantin Herb

We present a novel approach for the construction of basis functions to be employed in selective or adaptive h-refined finite element applications with arbitrary-level hanging node configurations. Our analysis is not restricted to…

Numerical Analysis · Mathematics 2018-05-03 Eugenio Aulisa , Giacomo Capodaglio , Guoyi Ke

Medusa, a novel library for implementation of strong form mesh-free methods, is described. We identify and present common parts and patterns among many such methods reported in the literature, such as node positioning, stencil selection and…

Mathematical Software · Computer Science 2021-07-07 Jure Slak , Gregor Kosec

Pipelined algorithms implemented in field programmable gate arrays are being extensively used for hardware triggers in the modern experimental high energy physics field and the complexity of such algorithms are increases rapidly. For…

Other Computer Science · Computer Science 2017-12-15 J. B. Kim , E. Won

Following in the footsteps of the success of Mathlib - the centralised library of formalised mathematics in Lean - CSLib is a rapidly-growing centralised library of formalised computer science and software. In this paper, we present its…

Logic in Computer Science · Computer Science 2026-02-18 Christopher Henson , Fabrizio Montesi

Grids aim at exploiting synergies that result from cooperation of autonomous distributed entities. The synergies that result from grid cooperation include the sharing, exchange, selection, and aggregation of geographically distributed…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-05-23 Rajkumar Buyya , Srikumar Venugopal

This work introduces an adaptive mesh refinement technique for hierarchical hybrid grids with the goal to reach scalability and maintain excellent performance on massively parallel computer systems. On the block structured hierarchical…

Numerical Analysis · Mathematics 2025-08-11 Benjamin Mann , Ulrich Rüde

Partial differential equations can be solved on general polygonal and polyhedral meshes, through Polytopal Element Methods (PEMs). Unfortunately, the relation between geometry and analysis is still unknown and subject to ongoing research in…

Computational Geometry · Computer Science 2022-11-23 Daniela Cabiddu , Giuseppe Patanè , Michela Spagnuolo

Building precise simulations of the real world and invoking numerical solvers to answer quantitative problems is an essential requirement in engineering and science. We present FEABench, a benchmark to evaluate the ability of large language…

Artificial Intelligence · Computer Science 2025-04-09 Nayantara Mudur , Hao Cui , Subhashini Venugopalan , Paul Raccuglia , Michael P. Brenner , Peter Norgaard

As scientific applications extend to the simulation of more and more complex systems, they involve an increasing number of abstraction levels, at each of which errors can emerge and across which they can propagate; tools for correctness…

Software Engineering · Computer Science 2011-01-18 Eloisa Bentivegna , Gabrielle Allen , Oleg Korobkin , Erik Schnetter

A numerical framework is developed to solve various types of PDEs on complicated domains, including steady and time-dependent, non-linear and non-local PDEs, with different boundary conditions that can also include non-linear and non-local…

Numerical Analysis · Mathematics 2022-07-13 Jonna C. Roden , Rory D. Mills-Williams , John W. Pearson , Benjamin D. Goddard

Soft materials such as rubbers, hydrogels, and biological tissues undergo damage in the form of stiffness degradation without apparent changes in their stress-free geometry. Accurate simulation of this behavior is critical in applications…

Computational Engineering, Finance, and Science · Computer Science 2026-04-07 Mark Wilkinson , Amirhossein Amiri-Hezaveh , Adrian Buganza Tepole

Spreadsheet engineering adapts the lessons of software engineering to spreadsheets, providing eight principles as a framework for organizing spreadsheet programming recommendations. Spreadsheets raise issues inadequately addressed by…

Software Engineering · Computer Science 2024-12-31 Thomas A. Grossman

Unfitted (also known as embedded or immersed) finite element approximations of partial differential equations are very attractive because they have much lower geometrical requirements than standard body-fitted formulations. These schemes do…

Numerical Analysis · Mathematics 2022-04-13 Santiago Badia , Pere A. Martorell , Francesc Verdugo