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Uncertainty in optimization is often represented as stochastic parameters in the optimization model. In Predict-Then-Optimize approaches, predictions of a machine learning model are used as values for such parameters, effectively…

Machine Learning · Computer Science 2025-12-03 Pieter Smet

Benchmarks are a useful tool for empirical performance comparisons. However, one of the main shortcomings of existing benchmarks is that it remains largely unclear how they relate to real-world problems. What does an algorithm's performance…

Neural and Evolutionary Computing · Computer Science 2020-04-15 Koen van der Blom , Timo M. Deist , Tea Tušar , Mariapia Marchi , Yusuke Nojima , Akira Oyama , Vanessa Volz , Boris Naujoks

Topology Optimization seeks to find the best design that satisfies a set of constraints while maximizing system performance. Traditional iterative optimization methods like SIMP can be computationally expensive and get stuck in local…

Machine Learning · Computer Science 2023-03-20 Giorgio Giannone , Faez Ahmed

The rise of agentic AI systems, where agents collaborate to perform diverse tasks, poses new challenges with observing, analyzing and optimizing their behavior. Traditional evaluation and benchmarking approaches struggle to handle the…

Artificial Intelligence · Computer Science 2025-03-11 Dany Moshkovich , Hadar Mulian , Sergey Zeltyn , Natti Eder , Inna Skarbovsky , Roy Abitbol

Large language models (LLMs) are increasingly used to automate feature engineering in tabular learning. Given task-specific information, LLMs can propose diverse feature transformation operations to enhance downstream model performance.…

Machine Learning · Computer Science 2026-01-30 Zhuoyan Li , Aditya Bansal , Jinzhao Li , Shishuang He , Zhuoran Lu , Mutian Zhang , Qin Liu , Yiwei Yang , Swati Jain , Ming Yin , Yunyao Li

Optimizing discrete black-box functions is key in several domains, e.g. protein engineering and drug design. Due to the lack of gradient information and the need for sample efficiency, Bayesian optimization is an ideal candidate for these…

The optimization of high-dimensional black-box functions is a challenging problem. When a low-dimensional linear embedding structure can be assumed, existing Bayesian optimization (BO) methods often transform the original problem into…

Machine Learning · Statistics 2022-11-03 Shuhei A. Horiguchi , Tomoharu Iwata , Taku Tsuzuki , Yosuke Ozawa

Many important problems in science and engineering, such as drug design, involve optimizing an expensive black-box objective function over a complex, high-dimensional, and structured input space. Although machine learning techniques have…

Machine Learning · Computer Science 2020-10-27 Austin Tripp , Erik Daxberger , José Miguel Hernández-Lobato

Optimization has been becoming a central of studies in mathematic and has many areas with different applications. However, many themes of optimization came from different area have not ties closing to origin concepts. This paper is to…

Optimization and Control · Mathematics 2012-07-24 Mahyuddin K. M. Nasution

Deep learning algorithms have recently shown to be a successful tool in estimating parameters of statistical models for which simulation is easy, but likelihood computation is challenging. But the success of these approaches depends on…

Machine Learning · Statistics 2024-02-20 Amanda Lenzi , Haavard Rue

Topology optimization (TO) is a family of computational methods that derive near-optimal geometries from formal problem descriptions. Despite their success, established TO methods are limited to generating single solutions, restricting the…

Machine Learning · Computer Science 2025-06-18 Andreas Radler , Eric Volkmann , Johannes Brandstetter , Arturs Berzins

Benchmarking plays a major role in the development and analysis of optimization algorithms. As such, the way in which the used benchmark problems are defined significantly affects the insights that can be gained from any given benchmark…

Neural and Evolutionary Computing · Computer Science 2023-03-09 Diederick Vermetten , Furong Ye , Carola Doerr

Although a large number of optimization algorithms have been proposed for black box optimization problems, the no free lunch theorems inform us that no algorithm can beat others on all types of problems. Different types of optimization…

Neural and Evolutionary Computing · Computer Science 2020-01-07 Yaodong He , Shiu Yin Yuen

Optimization problems with uncertain black-box constraints, modeled by warped Gaussian processes, have recently been considered in the Bayesian optimization setting. This work introduces a new class of constraints in which the same…

Optimization and Control · Mathematics 2020-06-16 Johannes Wiebe , Inês Cecílio , Jonathan Dunlop , Ruth Misener

For safety-critical black-box optimization tasks, observations of the constraints and the objective are often noisy and available only for the feasible points. We propose an approach based on log barriers to find a local solution of a…

Optimization and Control · Mathematics 2021-02-25 Ilnura Usmanova , Andreas Krause , Maryam Kamgarpour

Traditional approaches to the design of multi-agent navigation algorithms consider the environment as a fixed constraint, despite the influence of spatial constraints on agents' performance. Yet hand-designing conducive environment layouts…

Systems and Control · Electrical Eng. & Systems 2023-05-22 Zhan Gao , Amanda Prorok

We propose a novel Bayesian Optimization approach for black-box functions with an environmental variable whose value determines the tradeoff between evaluation cost and the fidelity of the evaluations. Further, we use a novel approach to…

Machine Learning · Statistics 2018-05-16 Mark McLeod , Michael A. Osborne , Stephen J. Roberts

Decision trees, owing to their interpretability, are attractive as control policies for (dynamical) systems. Unfortunately, constructing, or synthesising, such policies is a challenging task. Previous approaches do so by imitating a…

Artificial Intelligence · Computer Science 2025-04-23 Emir Demirović , Christian Schilling , Anna Lukina

We focus on collaborative and federated black-box optimization (BBOpt), where agents optimize their heterogeneous black-box functions through collaborative sequential experimentation. From a Bayesian optimization perspective, we address the…

Machine Learning · Computer Science 2025-08-25 Raed Al Kontar

Neural networks have recently been employed as material discretizations within adjoint optimization frameworks for inverse problems and topology optimization. While advantageous regularization effects and better optima have been found for…

Machine Learning · Computer Science 2024-07-26 Leon Herrmann , Ole Sigmund , Viola Muning Li , Christian Vogl , Stefan Kollmannsberger
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