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This work proposes a framework of benchmark functions designed to facilitate the creation of test cases for numerical optimisation techniques. The framework, written in Python 3, is designed to be easy to install, use, and expand. The…

Numerical Analysis · Mathematics 2024-06-25 Luca Baronti , Marco Castellani

As Moore's Law gains diminish, software performance and efficiency become increasingly vital. Optimizing code efficiency is challenging, even for professional programmers. However, related research remains relatively scarce, and rigorously…

Software Engineering · Computer Science 2024-08-26 Yue Pan , Xiuting Shao , Chen Lyu

We introduce a Python open-source library for $\mathcal{X}$-armed bandit and online blackbox optimization named PyXAB. PyXAB contains the implementations for more than 10 $\mathcal{X}$-armed bandit algorithms, such as HOO, StoSOO, HCT, and…

Machine Learning · Statistics 2023-03-08 Wenjie Li , Haoze Li , Jean Honorio , Qifan Song

Mixed Integer Linear Programs (MILPs) are often used in the path planning of both ground and aerial vehicles. Such a formulation of the path planning problem requires a linear objective function and constraints, limiting the fidelity of the…

Optimization and Control · Mathematics 2022-11-21 Drew Scott , Satyanarayana G. Manyam , David W. Casbeer , Manish Kumar , Isaac E. Weintraub , Michael J. Rothenberger

This paper presents the Battery Modelling Toolbox (BattMo), a flexible finite volume continuum modelling framework in MATLAB\textsuperscript{\textregistered} (\citeproc{ref-MATLAB}{The MathWorks Inc., 2025}) for simulating the performance…

Our open-source Python package BoFire combines Bayesian Optimization (BO) with other design of experiments (DoE) strategies focusing on developing and optimizing new chemistry. Previous BO implementations, for example as they exist in the…

In several industrial applications, such as crystallization, pollution control, and flow assurance, an accurate understanding of the aqueous electrolyte solutions is crucial. Electrolyte equilibrium calculation contributes with the design…

Linear operators and optimisation are at the core of many algorithms used in signal and image processing, remote sensing, and inverse problems. For small to medium-scale problems, existing software packages (e.g., MATLAB, Python numpy and…

Mathematical Software · Computer Science 2019-07-30 Matteo Ravasi , Ivan Vasconcelos

This paper describes Plumbing for Optimization with Asynchronous Parallelism (POAP) and the Python Surrogate Optimization Toolbox (pySOT). POAP is an event-driven framework for building and combining asynchronous optimization strategies,…

Optimization and Control · Mathematics 2019-08-02 David Eriksson , David Bindel , Christine A. Shoemaker

Significant effort has been made to solve computationally expensive optimization problems in the past two decades, and various optimization methods incorporating surrogates into optimization have been proposed. However, most optimization…

Neural and Evolutionary Computing · Computer Science 2022-04-13 Julian Blank , Kalyanmoy Deb

Optimization models with decision variables in multiple time scales are widely used across various fields such as integrated planning and scheduling. To address scalability challenges in these models, we present the Parametric Autotuning…

Optimization and Control · Mathematics 2024-07-24 Asha Ramanujam , Can Li

PyPOTS is an open-source Python library dedicated to data mining and analysis on multivariate partially-observed time series with missing values. Particularly, it provides easy access to diverse algorithms categorized into five tasks:…

Machine Learning · Computer Science 2025-07-10 Wenjie Du , Yiyuan Yang , Linglong Qian , Jun Wang , Qingsong Wen

Existing open-source modeling frameworks dedicated to energy systems optimization typically utilize (mixed-integer) linear programming ((MI)LP) formulations, which lack modeling freedom for technical system design and operation. We present…

Bayesian Optimisation (BO) is a family of methods for finding optimal parameters when the underlying function to be optimised is unknown. BO is used, for example, for hyperparameter tuning in machine learning and as an expert support tool…

Human-Computer Interaction · Computer Science 2026-01-05 Tanmay Chakraborty , Marion Koelle , Jörg Schlötterer , Nadine Schlicker , Christian Wirth , Christin Seifert

Bayesian Optimization is a useful tool for experiment design. Unfortunately, the classical, sequential setting of Bayesian Optimization does not translate well into laboratory experiments, for instance battery design, where measurements may…

Machine Learning · Computer Science 2023-02-24 Jose Pablo Folch , Robert M Lee , Behrang Shafei , David Walz , Calvin Tsay , Mark van der Wilk , Ruth Misener

We present HIghly Parallelisable Pareto Optimisation (HIPPO) -- a batch acquisition function that enables multi-objective Bayesian optimisation methods to efficiently exploit parallel processing resources. Multi-Objective Bayesian…

Machine Learning · Computer Science 2022-06-28 Andrei Paleyes , Henry B. Moss , Victor Picheny , Piotr Zulawski , Felix Newman

In this contribution we present a new modeling and simulation framework for parametrized Lithium-ion battery cells. We first derive a new continuum model for a rather general intercalation battery cell on the basis of non-equilibrium…

Numerical Analysis · Mathematics 2021-10-13 M. Landstorfer , M. Ohlberger , S. Rave , M. Tacke

This paper presents PyJobShop, an open-source Python library for solving scheduling problems with constraint programming. PyJobShop provides an easy-to-use modeling interface that supports a wide variety of scheduling problems, including…

Optimization and Control · Mathematics 2025-02-20 Leon Lan , Joost Berkhout

Optimization on manifolds is a class of methods for optimization of an objective function, subject to constraints which are smooth, in the sense that the set of points which satisfy the constraints admits the structure of a differentiable…

Mathematical Software · Computer Science 2020-09-03 James Townsend , Niklas Koep , Sebastian Weichwald

We present the first general purpose framework for marginal maximum a posteriori estimation of probabilistic program variables. By using a series of code transformations, the evidence of any probabilistic program, and therefore of any…

Machine Learning · Statistics 2017-07-17 Tom Rainforth , Tuan Anh Le , Jan-Willem van de Meent , Michael A. Osborne , Frank Wood