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For scientific machine learning tasks with a lot of custom code, picking the right Automatic Differentiation (AD) system matters. Our Julia package DifferentiationInterface$.$jl provides a common frontend to a dozen AD backends, unlocking…

Mathematical Software · Computer Science 2025-05-19 Guillaume Dalle , Adrian Hill

Calibration of individual based models (IBMs), successful in modeling complex ecological dynamical systems, is often performed only ad-hoc. Bayesian inference can be used for both parameter estimation and uncertainty quantification, but its…

Computation · Statistics 2017-11-09 Jonas Šukys , Mira Kattwinkel

This report presents the Prime Collective Communications Library (PCCL), a novel fault-tolerant collective communication library designed for distributed ML workloads over the public internet. PCCL introduces a new programming model that…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-21 Michael Keiblinger , Mario Sieg , Jack Min Ong , Sami Jaghouar , Johannes Hagemann

Biclustering is a data mining technique which searches for local patterns in numeric tabular data with main application in bioinformatics. This technique has shown promise in multiple areas, including development of biomarkers for cancer,…

Machine Learning · Computer Science 2021-05-05 Paweł Renc , Patryk Orzechowski , Aleksander Byrski , Jarosław Wąs , Jason H. Moore

We introduce Atomistic learned potentials in JAX (apax), a flexible and efficient open source software package for training and inference of machine-learned interatomic potentials. Built on the JAX framework, apax supports GPU acceleration…

Chemical Physics · Physics 2025-11-19 Moritz René Schäfer , Nico Segreto , Fabian Zills , Christian Holm , Johannes Kästner

MOCVXPY is an open-source Python library for convex vector optimization. It is built on top of CVXPY, a domain-specific language for single-objective convex optimization. MOCVXPY enables practitioners to describe their convex vector…

Optimization and Control · Mathematics 2025-10-27 Ludovic Salomon , Daniel Dörfler , Andreas Löhne

We present NEP-PACK a novel open-source library for the solution of nonlinear eigenvalue problems (NEPs). The package provides a framework to represent NEPs, as well as efficient implementations of many state-of-the-art algorithms. The…

Numerical Analysis · Mathematics 2018-11-26 Elias Jarlebring , Max Bennedich , Giampaolo Mele , Emil Ringh , Parikshit Upadhyaya

Technical computing is a challenging application area for programming languages to address. This is evinced by the unusually large number of specialized languages in the area (e.g. MATLAB, R), and the complexity of common software stacks,…

Programming Languages · Computer Science 2018-08-13 Jeff Bezanson , Jake Bolewski , Jiahao Chen

Integrating computational fluid dynamics (CFD) solvers 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. In this…

Fluid Dynamics · Physics 2025-07-22 Gabriel D. Weymouth , Bernat Font

Consensus-based optimization (CBO) is an agent-based derivative-free method for non-smooth global optimization that has been introduced in 2017, leveraging a surprising interplay between stochastic exploration and Laplace principle. In…

Analysis of PDEs · Mathematics 2024-10-01 Massimo Fornasier , Lukang Sun

Adjusting robot behavior to human preferences can require intensive human feedback, preventing quick adaptation to new users and changing circumstances. Moreover, current approaches typically treat user preferences as a reward, which…

Robotics · Computer Science 2024-10-21 Jakob Thumm , Christopher Agia , Marco Pavone , Matthias Althoff

General Matrix Multiplication or GEMM kernels take centre place in high performance computing and machine learning. Recent NVIDIA GPUs include GEMM accelerators, such as NVIDIA's Tensor Cores. Their exploitation is hampered by the…

Mathematical Software · Computer Science 2021-11-23 Thomas Faingnaert , Tim Besard , Bjorn De Sutter

We propose a novel method for sampling and optimization tasks based on a stochastic interacting particle system. We explain how this method can be used for the following two goals: (i) generating approximate samples from a given target…

Dynamical Systems · Mathematics 2021-11-05 J. A. Carrillo , F. Hoffmann , A. M. Stuart , U. Vaes

This paper describes Convex, a convex optimization modeling framework in Julia. Convex translates problems from a user-friendly functional language into an abstract syntax tree describing the problem. This concise representation of the…

Optimization and Control · Mathematics 2014-10-20 Madeleine Udell , Karanveer Mohan , David Zeng , Jenny Hong , Steven Diamond , Stephen Boyd

We present novel mixed-integer programming (MIP) formulations for optimization over nonconvex piecewise linear functions. We exploit recent advances in the systematic construction of MIP formulations to derive new formulations for…

Optimization and Control · Mathematics 2019-10-09 Joey Huchette , Juan Pablo Vielma

SnapVX is a high-performance Python solver for convex optimization problems defined on networks. For these problems, it provides a fast and scalable solution with guaranteed global convergence. SnapVX combines the capabilities of two open…

Social and Information Networks · Computer Science 2017-02-22 David Hallac , Christopher Wong , Steven Diamond , Abhijit Sharang , Rok Sosic , Stephen Boyd , Jure Leskovec

We introduce {\tt JuliBootS}, a package for numerical conformal bootstrap computations coded in {\tt Julia}. The centre-piece of {\tt JuliBootS} is an implementation of Dantzig's simplex method capable of handling arbitrary precision linear…

High Energy Physics - Theory · Physics 2014-12-16 Miguel F. Paulos

Scorio.jl is a Julia package for evaluating and ranking systems from repeated responses to shared tasks. It provides a common tensor-based interface for direct score-based, pairwise, psychometric, voting, graph, and listwise methods, so the…

Mathematical Software · Computer Science 2026-03-17 Mohsen Hariri , Michael Hinczewski , Vipin Chaudhary

Research collaborations are continuously emerging catalyzed by online platforms, where people can share their codes, calculations, data and results. These virtual research platforms are innovative, community oriented, flexible and secure as…

GEANT4 is a particle physics simulation tool used to develop and optimize radiation detectors. While C++ based examples exist, Python's growing popularity necessitates the development of a more accessible Python bindings interface. This…

High Energy Physics - Experiment · Physics 2024-12-10 Patrick Stowell , Robert Foster , Almahdi Elhamri