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Hyperparameter optimization (HPO) is generally treated as a bi-level optimization problem that involves fitting a (probabilistic) surrogate model to a set of observed hyperparameter responses, e.g. validation loss, and consequently…

Machine Learning · Computer Science 2021-10-18 Hadi S. Jomaa , Jonas Falkner , Lars Schmidt-Thieme

Real-world optimisation problems typically have objective functions which cannot be expressed analytically. These optimisation problems are evaluated through expensive physical experiments or simulations. Cheap approximations of the…

Neural and Evolutionary Computing · Computer Science 2022-11-01 Mohamed Z. Variawa , Terence L. Van Zyl , Matthew Woolway

One of the main reasons for the success of Evolutionary Algorithms (EAs) is their general-purposeness, i.e., the fact that they can be applied straightforwardly to a broad range of optimization problems, without any specific prior…

Neural and Evolutionary Computing · Computer Science 2021-04-01 Ahmed Hallawa , Anil Yaman , Giovanni Iacca , Gerd Ascheid

One method to solve expensive black-box optimization problems is to use a surrogate model that approximates the objective based on previous observed evaluations. The surrogate, which is cheaper to evaluate, is optimized instead to find an…

Optimization and Control · Mathematics 2021-05-28 Rickard Karlsson , Laurens Bliek , Sicco Verwer , Mathijs de Weerdt

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

Discovering configurations that are both high-utility and structurally diverse under expensive black-box evaluation and strict query budgets remains a central challenge in data-driven discovery. Many classical optimizers concentrate on…

Quantum Physics · Physics 2026-02-11 Saisubramaniam Gopalakrishnan , Dagnachew Birru

Building local surrogates to accelerate stationary point searches on potential energy surfaces spans decades of effort. Done correctly, surrogates can reduce the number of expensive electronic structure evaluations by roughly an order of…

Machine Learning · Statistics 2026-04-30 Rohit Goswami

Large Language Models (LLMs) have achieved significant progress across various fields and have exhibited strong potential in evolutionary computation, such as generating new solutions and automating algorithm design. Surrogate-assisted…

Neural and Evolutionary Computing · Computer Science 2024-06-18 Hao Hao , Xiaoqun Zhang , Aimin Zhou

Deep neural networks are vulnerable to adversarial examples that exhibit transferability across various models. Numerous approaches are proposed to enhance the transferability of adversarial examples, including advanced optimization, data…

Computer Vision and Pattern Recognition · Computer Science 2025-10-27 Zhaoyu Chen , Haijing Guo , Kaixun Jiang , Jiyuan Fu , Xinyu Zhou , Dingkang Yang , Hao Tang , Bo Li , Wenqiang Zhang

We introduce the concept of decision-focused surrogate modeling for solving computationally challenging nonlinear optimization problems in real-time settings. The proposed data-driven framework seeks to learn a simpler, e.g. convex,…

Optimization and Control · Mathematics 2023-12-27 Rishabh Gupta , Qi Zhang

Surrogate models provide efficient alternatives to computationally demanding real world processes but often require large datasets for effective training. A promising solution to this limitation is the transfer of pre-trained surrogate…

Machine Learning · Computer Science 2025-05-14 Shuaiqun Pan , Diederick Vermetten , Manuel López-Ibáñez , Thomas Bäck , Hao Wang

Surrogate algorithms such as Bayesian optimisation are especially designed for black-box optimisation problems with expensive objectives, such as hyperparameter tuning or simulation-based optimisation. In the literature, these algorithms…

Machine Learning · Computer Science 2024-03-14 Laurens Bliek , Arthur Guijt , Rickard Karlsson , Sicco Verwer , Mathijs de Weerdt

Surrogate endpoints play an important role in drug development when they can be used to measure treatment effect early compared to the final clinical outcome and to predict clinical benefit or harm. Such endpoints are assessed for their…

Initialization profoundly affects evolutionary algorithm (EA) efficacy by dictating search trajectories and convergence. This study introduces a hybrid initialization strategy combining empty-space search algorithm (ESA) and…

Neural and Evolutionary Computing · Computer Science 2025-05-12 Xinyu Zhang , Mário Antunes , Tyler Estro , Erez Zadok , Klaus Mueller

Existing Meta-Black-Box Optimization (MetaBBO) methods focus on how to search when controlling optimizers, but largely overlook where to search. We propose MetaSG-SAEA, a bi-level MetaBBO framework for expensive constrained multi-objective…

Neural and Evolutionary Computing · Computer Science 2026-05-12 Yukun Du , Haiyue Yu , Jiang Jiang , Shuaiwen Tang , Xiaotong Xie , Haobo Liu , Chongshuang Hu , Shengkun Chang

This work aims at developing new methodologies to optimize computational costly complex systems (e.g., aeronautical engineering systems). The proposed surrogate-based method (often called Bayesian optimization) uses adaptive sampling to…

In NeuroEvolution, the topologies of artificial neural networks are optimized with evolutionary algorithms to solve tasks in data regression, data classification, or reinforcement learning. One downside of NeuroEvolution is the large amount…

Neural and Evolutionary Computing · Computer Science 2019-02-12 Jörg Stork , Martin Zaefferer , Thomas Bartz-Beielstein

Streaming Data-Driven Optimization (SDDO) problems arise in many applications where data arrive continuously and the optimization environment evolves over time. Concept drift produces non-stationary landscapes, making optimization methods…

Neural and Evolutionary Computing · Computer Science 2026-04-15 Yue Wu , Yuan-Ting Zhong , Ze-Yuan Ma , Yue-Jiao Gong

The purpose of this paper is twofold. On one side, we present a general framework for Bayesian optimization and we compare it with some related fields in active learning and Bayesian numerical analysis. On the other hand, Bayesian…

Robotics · Computer Science 2018-02-13 Ruben Martinez-Cantin

Explainable AI is a crucial component for edge services, as it ensures reliable decision making based on complex AI models. Surrogate models are a prominent approach of XAI where human-interpretable models, such as a linear regression…

Machine Learning · Computer Science 2025-03-12 Foivos Charalampakos , Thomas Tsouparopoulos , Iordanis Koutsopoulos