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Bayesian Optimization is the state of the art technique for the optimization of black boxes, i.e., functions where we do not have access to their analytical expression nor its gradients, they are expensive to evaluate and its evaluation is…

Artificial Intelligence · Computer Science 2021-01-13 Eduardo C. Garrido Merchán , Luis C. Jariego Pérez

The integration of artificial intelligence into business processes has significantly enhanced decision-making capabilities across various industries such as finance, healthcare, and retail. However, explaining the decisions made by these AI…

Artificial Intelligence · Computer Science 2024-10-29 Arne Grobrugge , Nidhi Mishra , Johannes Jakubik , Gerhard Satzger

Interpretable surrogates of black-box predictors trained on high-dimensional tabular datasets can struggle to generate comprehensible explanations in the presence of correlated variables. We propose a model-agnostic interpretable surrogate…

Machine Learning · Statistics 2019-06-05 Xavier Renard , Nicolas Woloszko , Jonathan Aigrain , Marcin Detyniecki

Black-box policy optimization is a class of reinforcement learning algorithms that explores and updates the policies at the parameter level. This class of algorithms is widely applied in robotics with movement primitives or…

Machine Learning · Computer Science 2022-03-22 Marius Memmel , Puze Liu , Davide Tateo , Jan Peters

Most AI systems are black boxes generating reasonable outputs for given inputs. Some domains, however, have explainability and trustworthiness requirements that cannot be directly met by these approaches. Various methods have therefore been…

Artificial Intelligence · Computer Science 2024-10-28 Hormoz Shahrzad , Babak Hodjat , Risto Miikkulainen

The pursuit of universal black-box optimization (BBO) algorithms is a longstanding goal. However, unlike domains such as language or vision, where scaling structured data has driven generalization, progress in offline BBO remains hindered…

Machine Learning · Computer Science 2025-06-10 Rong-Xi Tan , Ming Chen , Ke Xue , Yao Wang , Yaoyuan Wang , Sheng Fu , Chao Qian

We introduce CODES, a benchmark for comprehensive evaluation of surrogate architectures for coupled ODE systems. Besides standard metrics like mean squared error (MSE) and inference time, CODES provides insights into surrogate behaviour…

Machine Learning · Computer Science 2024-11-21 Robin Janssen , Immanuel Sulzer , Tobias Buck

Many-objective optimisation, a subset of multi-objective optimisation, involves optimisation problems with more than three objectives. As the number of objectives increases, the number of solutions needed to adequately represent the entire…

Artificial Intelligence · Computer Science 2026-04-13 Chao Jiang , Jingyu Huang , Miqing Li

Prompt optimization has become a practical way to improve the performance of Large Language Models (LLMs) without retraining. However, most existing frameworks treat evaluation as a black box, relying solely on outcome scores without…

Multiagent Systems · Computer Science 2026-04-01 Wonduk Seo , Juhyeon Lee , Junseo Koh , Wonseok Choi , Hyunjin An , Jian Park , Seunghyun lee , Haihua Chen , Yi Bu

Trust in clinical artificial intelligence (AI) cannot be reduced to model accuracy, fluency of generation, or overall positive user impression. In medicine, trust must be engineered as a measurable system property grounded in evidence,…

Computation and Language · Computer Science 2026-04-30 Serhii Zabolotnii , Viktoriia Holinko , Olha Antonenko

Bayesian optimization is a powerful tool for solving real-world optimization tasks under tight evaluation budgets, making it well-suited for applications involving costly simulations or experiments. However, many of these tasks are also…

Machine Learning · Computer Science 2025-06-18 Paolo Ascia , Elena Raponi , Thomas Bäck , Fabian Duddeck

Driven by advances in hardware and software technologies, nonlinear model predictive control (NMPC) has gained increasing adoption in both industry and academia over the past decades. However, its practical deployment is often limited by…

Optimization and Control · Mathematics 2026-04-10 Perceval Beja-Battais , Guillaume Dupré , Alain Grossetête , Nicolas Vayatis

This article addresses the problem of derivative-free (single- or multi-objective) optimization subject to multiple inequality constraints. Both the objective and constraint functions are assumed to be smooth, non-linear and expensive to…

Computation · Statistics 2017-07-28 Paul Feliot , Julien Bect , Emmanuel Vazquez

Bayesian optimization (BO) is an efficient framework for optimization of black-box objectives when function evaluations are costly and gradient information is not easily accessible. BO has been successfully applied to automate the task of…

Machine Learning · Computer Science 2024-07-09 Pallavi Mitra , Felix Biessmann

The acquisition function, a critical component in Bayesian optimization (BO), can often be written as the expectation of a utility function under a surrogate model. However, to ensure that acquisition functions are tractable to optimize,…

Machine Learning · Computer Science 2022-10-10 Jiaming Song , Lantao Yu , Willie Neiswanger , Stefano Ermon

The Consistency property between surrogate losses and evaluation metrics has been extensively studied to ensure that minimizing a loss leads to metric optimality. However, the direct relationship between different evaluation metrics remains…

Machine Learning · Computer Science 2026-03-10 Yuanhao Pu , Defu Lian , Enhong Chen

Evolutionary multi-objective optimization (EMO) algorithms have been demonstrated to be effective in solving multi-criteria decision-making problems. In real-world applications, analysts often employ several algorithms concurrently and…

Neural and Evolutionary Computing · Computer Science 2024-08-09 Yansong Huang , Zherui Zhang , Ao Jiao , Yuxin Ma , Ran Cheng

Complex systems are increasingly explored through simulation-driven engineering workflows that combine physics-based and empirical models with optimization and analytics. Despite their power, these workflows face two central obstacles: (1)…

Patient-reported outcome (PRO) measures are increasingly collected as a means of measuring healthcare quality and value. The capability to predict such measures enables patient-provider shared decision making and the delivery of…

Methodology · Statistics 2023-03-01 Jaeyoung Park , Muxuan Liang , Ying-Qi Zhao , Xiang Zhong

Optimizing an experimental system can be extremely challenging when each experiment is expensive, time-consuming, or difficult to perform. Existing optimizers for expensive black-box problems, such as Bayesian optimization, are typically…

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