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This report provides an introduction to the ensmallen numerical optimization library, as well as a deep dive into the technical details of how it works. The library provides a fast and flexible C++ framework for mathematical optimization of…

Mathematical Software · Computer Science 2023-11-16 Ryan R. Curtin , Marcus Edel , Rahul Ganesh Prabhu , Suryoday Basak , Zhihao Lou , Conrad Sanderson

Stan is a probabilistic programming language that has been increasingly used for real-world scalable projects. However, to make practical inference possible, the language sacrifices some of its usability by adopting a block syntax, which…

Programming Languages · Computer Science 2019-04-02 Maria I. Gorinova , Andrew D. Gordon , Charles Sutton

Structural identifiability analysis determines whether the parameters of a mechanistic ordinary differential equation (ODE) model can be uniquely recovered from ideal observations and is therefore a fundamental prerequisite for reliable…

Methodology · Statistics 2026-05-20 Abdallah Alsammani

We describe a methodology for designing efficient parallel and distributed scientific software. This methodology utilizes sequences of mechanizable algebra--based optimizing transformations. In this study, we apply our methodology to the…

Software Engineering · Computer Science 2008-11-18 Harry B. Hunt , Lenore R. Mullin , Daniel J. Rosenkrantz , James E. Raynolds

We present the software design of Gridap, a novel finite element library written exclusively in the Julia programming language, which is being used by several research groups world-wide to simulate complex physical phenomena such as…

Mathematical Software · Computer Science 2022-04-13 Francesc Verdugo , Santiago Badia

The Gisela framework for declarative programming was developed with the specific aim of providing a tool that would be useful for knowledge representation and reasoning within real-world applications. To achieve this, a complete integration…

Software Engineering · Computer Science 2007-05-23 Goran Falkman , Olof Torgersson

Dynamical systems are ubiquitous in science and engineering as models of phenomena that evolve over time. Although complex dynamical systems tend to have important modular structure, conventional modeling approaches suppress this structure.…

Category Theory · Mathematics 2022-11-04 Sophie Libkind , Andrew Baas , Evan Patterson , James Fairbanks

A graphical model is a multivariate (potentially very high dimensional) probabilistic model, which is formed by combining lower dimensional components. Inference (computation of conditional probabilities) is based on message passing…

Computation · Statistics 2021-06-03 Mads Lindskou , Søren Højsgaard , Poul Svante Eriksen , Torben Tvedebrink

Integrating computational fluid dynamics (CFD) software into optimization and machine-learning frameworks is hampered by the rigidity of classic computational languages and the slow performance of more flexible high-level languages.…

Fluid Dynamics · Physics 2023-04-18 Gabriel D. Weymouth , Bernat Font

Symbolic computation systems suffer from memory inefficiencies due to redundant storage of structurally identical subexpressions, commonly known as expression swell, which degrades performance in both classical computer algebra and emerging…

Programming Languages · Computer Science 2025-10-17 Bowen Zhu , Aayush Sabharwal , Songchen Tan , Yingbo Ma , Alan Edelman , Christopher Rackauckas

Formalisms for specifying statistical models, such as probabilistic-programming languages, typically consist of two components: a specification of a stochastic process (the prior), and a specification of observations that restrict the…

Databases · Computer Science 2015-01-06 Vince Barany , Balder ten Cate , Benny Kimelfeld , Dan Olteanu , Zografoula Vagena

Probabilistic programming is related to a compositional approach to stochastic modeling by switching from discrete to continuous time dynamics. In continuous time, an operator-algebra semantics is available in which processes proceeding in…

Artificial Intelligence · Computer Science 2012-12-05 Eric Mjolsness

Parallel programs in high performance computing (HPC) continue to grow in complexity and scale in the exascale era. The diversity in hardware and parallel programming models make developing, optimizing, and maintaining parallel software…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-15 Daniel Nichols , Aniruddha Marathe , Harshitha Menon , Todd Gamblin , Abhinav Bhatele

We present IncompressibleNavierStokes.jl, an open-source Julia package for solving the incompressible Navier--Stokes equations on staggered Cartesian grids. The package features matrix-free, hardware-agnostic kernels that are compiled from…

Numerical Analysis · Mathematics 2026-04-21 Syver Døving Agdestein , Benjamin Sanderse

Compilers are indispensable for transforming code written in high-level languages into performant machine code, but their general-purpose optimizations sometimes fall short. Domain experts might be aware of certain optimizations that the…

Programming Languages · Computer Science 2025-07-15 Jules Merckx , Tim Besard , Bjorn De Sutter

Hardware heterogeneity is here to stay for high-performance computing. Large-scale systems are currently equipped with multiple GPU accelerators per compute node and are expected to incorporate more specialized hardware in the future. This…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-05 Polykarpos Thomadakis , Nikos Chrisochoides

Co-developing scientific algorithms and hardware accelerators requires domain-specific knowledge and large engineering resources. This leads to a slow development pace and high project complexity, which creates a barrier to entry that is…

Software Engineering · Computer Science 2025-03-13 Benedict Short , Ian McInerney , John Wickerson

Simulation has become the evaluation method of choice for many areas of distributing computing research. However, most existing simulation packages have several limitations on the size and complexity of the system being modeled. Fine…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-07-01 Dobre Ciprian , Cristea Valentin , Iosif C. Legrand

Research in high energy physics (HEP) requires huge amounts of computing and storage, putting strong constraints on the code speed and resource usage. To meet these requirements, a compiled high-performance language is typically used; while…

Programming current supercomputers efficiently is a challenging task. Multiple levels of parallelism on the core, on the compute node, and between nodes need to be exploited to make full use of the system. Heterogeneous hardware…