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Bayesian optimization is an effective method for solving expensive black-box optimization problems. Most existing methods use Gaussian processes (GP) as the surrogate model for approximating the black-box objective function, it is…

Machine Learning · Computer Science 2025-12-23 Wei Peng , Jianchen Hu , Kang Liu , Qiaozhu Zhai

Multi-objective optimization (MOO) has been widely studied in literature because of its versatility in human-centered decision making in real-life applications. Recently, demand for dynamic MOO is fast-emerging due to tough market dynamics…

Artificial Intelligence · Computer Science 2026-04-14 Jiahuan Jin , Wenhao Zhao , Rong Qu , Jianfeng Ren , Xinan Chen , Qingfu Zhang , Ruibin Bai

The present paper proposes a Bayesian framework for inverse problems that seamlessly integrates optimization and inversion to enable rapid surrogate modeling, accurate parameter inference, and rigorous uncertainty quantification. Bayesian…

Computational Engineering, Finance, and Science · Computer Science 2026-02-05 Mihaela Chiappetta , Massimo Carraturo , Alexander Raßloff , Markus Kästner , Ferdinando Auricchio

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

Data-driven evolutionary algorithms has shown surprising results in addressing expensive optimization problems through robust surrogate modeling. Though promising, existing surrogate modeling schemes may encounter limitations in complex…

Neural and Evolutionary Computing · Computer Science 2025-12-18 Xian-Rong Zhang , Yue-Jiao Gong , Zeyuan Ma , Jun Zhang

For developing innovative systems architectures, modeling and optimization techniques have been central to frame the architecting process and define the optimization and modeling problems. In this context, for system-of-systems the use of…

Artificial Intelligence · Computer Science 2026-05-07 Paul Saves , Jasper Bussemaker , Rémi Lafage , Thierry Lefebvre , Nathalie Bartoli , Youssef Diouane , Joseph Morlier

This paper describes jMetalPy, an object-oriented Python-based framework for multi-objective optimization with metaheuristic techniques. Building upon our experiences with the well-known jMetal framework, we have developed a new…

Neural and Evolutionary Computing · Computer Science 2019-04-18 Antonio Benitez-Hidalgo , Antonio J. Nebro , Jose Garcia-Nieto , Izaskun Oregi , Javier Del Ser

In this paper, a new sequential surrogate-based optimization (SSBO) algorithm is developed, which aims to improve the global search ability and local search efficiency for the global optimization of expensive black-box models. The proposed…

Machine Learning · Statistics 2018-11-30 Chunlin Gong , Xu Li , Hua Su , Jinlei Guo , Liangxian Gu

Many real world applications can be framed as multi-objective optimization problems, where we wish to simultaneously optimize for multiple criteria. Bayesian optimization techniques for the multi-objective setting are pertinent when the…

Machine Learning · Computer Science 2019-06-24 Biswajit Paria , Kirthevasan Kandasamy , Barnabás Póczos

The long runtime associated with simulating multidisciplinary systems challenges the use of Bayesian optimization for multidisciplinary design optimization (MDO). This is particularly the case if the coupled system is modeled in a…

Computational Engineering, Finance, and Science · Computer Science 2024-08-19 Susanna Baars , Jigar Parekh , Ihar Antonau , Philipp Bekemeyer , Ulrich Römer

Optimization algorithms are very different from human optimizers. A human being would gain more experiences through problem-solving, which helps her/him in solving a new unseen problem. Yet an optimization algorithm never gains any…

Neural and Evolutionary Computing · Computer Science 2024-10-28 Xunzhao Yu , Yan Wang , Ling Zhu , Dimitar Filev , Xin Yao

Mixed-integer optimization is at the core of many online decision-making systems that demand frequent updates of decisions in real time. However, due to their combinatorial nature, mixed-integer linear programs (MILPs) can be difficult to…

Optimization and Control · Mathematics 2026-04-21 Shivi Dixit , Rishabh Gupta , Qi Zhang

Bayesian optimisation is a powerful tool to solve expensive black-box problems, but fails when the stationary assumption made on the objective function is strongly violated, which is the case in particular for ill-conditioned or…

Machine Learning · Statistics 2019-12-06 Victor Picheny , Sattar Vakili , Artem Artemev

Agent-based simulations, especially those including communication, are complex to model and execute. To help researchers deal with this complexity and to encourage modular and maintainable research software, the Python-based framework mango…

Multiagent Systems · Computer Science 2023-11-30 Rico Schrage , Jens Sager , Jan Philipp Hörding , Stefanie Holly

We propose an optimization algorithm to improve the design and performance of quantum communication networks. When physical architectures become too complex for analytical methods, numerical simulation becomes essential to study quantum…

Quantum Physics · Physics 2025-08-21 Luise Prielinger , Álvaro G. Iñesta , Gayane Vardoyan

Hyperparameter optimization and neural architecture search can become prohibitively expensive for regular black-box Bayesian optimization because the training and evaluation of a single model can easily take several hours. To overcome this,…

Multi-objective optimization aims to solve problems with competing objectives. Evaluating such problems is often slow or expensive, limiting the budget of evaluations. In many applications, historical data from related optimization tasks is…

Machine Learning · Computer Science 2026-05-12 Leonard Papenmeier , Petru Tighineanu

Code often suffers from performance bugs. These bugs necessitate the research and practice of code optimization. Traditional rule-based methods rely on manually designing and maintaining rules for specific performance bugs (e.g., redundant…

Software Engineering · Computer Science 2025-12-30 Yue Wu , Minghao Han , Ruiyin Li , Peng Liang , Amjed Tahir , Zengyang Li , Qiong Feng , Mojtaba Shahin

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization…

Machine Learning · Computer Science 2023-07-26 Xiaobin Li , Kai Wu , Xiaoyu Zhang , Handing Wang , Jing Liu

To enable the computation of effective randomized patrol routes for single- or multi-robot teams, we present RoSSO, a Python package designed for solving Markov chain optimization problems. We exploit machine-learning techniques such as…

Robotics · Computer Science 2025-04-10 Yohan John , Connor Hughes , Gilberto Diaz-Garcia , Jason R. Marden , Francesco Bullo
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