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Synthetic Benchmark Problems (SBPs) are commonly used to evaluate the performance of metaheuristic algorithms. However, these SBPs often contain various unrealistic properties, potentially leading to underestimation or overestimation of…

Neural and Evolutionary Computing · Computer Science 2025-10-30 Kaichen Ouyang , Yezhi Xia

We present PyQUBO, an open-source, Python library for constructing quadratic unconstrained binary optimizations (QUBOs) from the objective functions and the constraints of optimization problems. PyQUBO enables users to prepare QUBOs or…

Quantum Physics · Physics 2021-03-04 Mashiyat Zaman , Kotaro Tanahashi , Shu Tanaka

NUBO, short for Newcastle University Bayesian Optimisation, is a Bayesian optimization framework for the optimization of expensive-to-evaluate black-box functions, such as physical experiments and computer simulators. Bayesian optimization…

Machine Learning · Computer Science 2026-04-29 Mike Diessner , Kevin J. Wilson , Richard D. Whalley

Lithium-ion (Li-ion) batteries are ubiquitous in modern energy storage systems, highlighting the critical need to comprehend and optimize their performance. Yet, battery models often exhibit poor parameter identifiability which hinders the…

Systems and Control · Electrical Eng. & Systems 2024-06-14 Jorge Espin , Yuichi Kajiura , Dong Zhang

Bayesian optimization is efficient even with a small amount of data and is used in engineering and in science, including biology and chemistry. In Bayesian optimization, a parameterized model with an uncertainty is fitted to explain the…

Machine Learning · Computer Science 2024-12-06 Yujin Taguchi , Yusuke Shibuya , Yusuke Hiki , Takashi Morikura , Takahiro G. Yamada , Akira Funahashi

Advanced battery management systems rely on mathematical models to guarantee optimal functioning of Lithium-ion batteries. The Pseudo-Two Dimensional (P2D) model is a very detailed electrochemical model suitable for simulations. On the…

Systems and Control · Computer Science 2019-10-01 Andrea Pozzi , Gabriele Ciaramella , Stefan Volkwein , Davide M. Raimondo

For a wide range of applications the structure of systems like Neural Networks or complex simulations, is unknown and approximation is costly or even impossible. Black-box optimization seeks to find optimal (hyper-) parameters for these…

Machine Learning · Computer Science 2023-09-06 Janina Schreiber , Damar Wicaksono , Michael Hecht

Mechanistic mathematical models of biological systems usually contain a number of unknown parameters whose values need to be estimated from available experimental data in order for the models to be validated and used to make quantitative…

Quantitative Methods · Quantitative Biology 2025-06-16 Yue Liu , Philip K. Maini , Ruth E. Baker

PyBADS is a Python implementation of the Bayesian Adaptive Direct Search (BADS) algorithm for fast and robust black-box optimization (Acerbi and Ma 2017). BADS is an optimization algorithm designed to efficiently solve difficult…

Machine Learning · Statistics 2023-06-28 Gurjeet Sangra Singh , Luigi Acerbi

We present a Python-based framework for the complete operation of a robotic telescope observatory. It provides out-of-the-box support for many popular camera types while other hardware like telescopes, domes, and weather stations can easily…

Instrumentation and Methods for Astrophysics · Physics 2022-03-25 Tim-Oliver Husser , Frederic V. Hessman , Sven Martens , Tilman Masur , Karl Royen , Sebastian Schäfer

This paper describes PyOED, a highly extensible scientific package that enables developing and testing model-constrained optimal experimental design (OED) for inverse problems. Specifically, PyOED aims to be a comprehensive Python toolkit…

Mathematical Software · Computer Science 2023-12-20 Abhijit Chowdhary , Shady E. Ahmed , Ahmed Attia

This paper presents the PyEB tool, a Python implementation of the Event-B refinement calculus. The PyEB tool takes a Python program and generates several proof obligations that are then passed into the Z3 solver for verification purposes.…

Programming Languages · Computer Science 2025-05-21 Néstor Cataño

An open-source, Python-based Temporal Analysis of Products (TAP) reactor simulation and processing program is introduced. TAPsolver utilizes algorithmic differentiation for the calculation of highly accurate derivatives, which are used to…

Computational Engineering, Finance, and Science · Computer Science 2020-09-01 Adam Yonge , M. Ross Kunz , Rakesh Batchu , Zongtang Fang , Tobin Issac , Rebecca Fushimi , Andrew J. Medford

Black-box optimization (BBO) has a broad range of applications, including automatic machine learning, experimental design, and database knob tuning. However, users still face challenges when applying BBO methods to their problems at hand…

Machine Learning · Computer Science 2024-05-17 Huaijun Jiang , Yu Shen , Yang Li , Beicheng Xu , Sixian Du , Wentao Zhang , Ce Zhang , Bin Cui

Scientific software is often driven by multiple parameters that affect both accuracy and performance. Since finding the optimal configuration of these parameters is a highly complex task, it extremely common that the software is used…

Computational Engineering, Finance, and Science · Computer Science 2016-08-17 Diego Fabregat-Traver , Ahmed E. Ismail , Paolo Bientinesi

AutoMPC is a Python package that automates and optimizes data-driven model predictive control. However, it can be computationally expensive and unstable when exploring large search spaces using pure Bayesian Optimization (BO). To address…

Robotics · Computer Science 2024-04-02 Baoyu Li , William Edwards , Kris Hauser

pyMOR is a free software library for model order reduction that includes both reduced basis and system-theoretic methods. All methods are implemented in terms of abstract vector and operator interfaces, which allows direct integration of…

Mathematical Software · Computer Science 2022-04-01 Petar Mlinarić , Stephan Rave , Jens Saak

PARyOpt is a python based implementation of the Bayesian optimization routine designed for remote and asynchronous function evaluations. Bayesian optimization is especially attractive for computational optimization due to its low cost…

Optimization and Control · Mathematics 2018-09-14 Balaji Sesha Sarath Pokuri , Alec Lofquist , Chad M Risko , Baskar Ganapathysubramanian

Batteries are nonlinear dynamical systems that can be modeled by Porous Electrode Theory models. The aim of optimal fast charging is to reduce the charging time while keeping battery degradation low. Most past studies assume that model…

Systems and Control · Electrical Eng. & Systems 2024-10-14 Minsu Kim , Joachim Schaeffer , Marc D. Berliner , Berta Pedret Sagnier , Rolf Findeisen , Richard D. Braatz

Monitoring battery health is essential for ensuring safe and efficient operation. However, there is an inherent trade-off between assessment speed and diagnostic depth-specifically, between rapid overall health estimation and precise…

Systems and Control · Electrical Eng. & Systems 2026-04-08 Xubo Gu , Xun Huan , Yao Ren , Wenqing Zhou , Weiran Jiang , Ziyou Song