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We consider the problem of optimizing hybrid structures (mixture of discrete and continuous input variables) via expensive black-box function evaluations. This problem arises in many real-world applications. For example, in materials design…

Machine Learning · Computer Science 2021-12-03 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa

Theoretical and empirical research on evolutionary computation methods complement each other by providing two fundamentally different approaches towards a better understanding of black-box optimization heuristics. In discrete optimization,…

Neural and Evolutionary Computing · Computer Science 2018-08-20 Carola Doerr , Furong Ye , Sander van Rijn , Hao Wang , Thomas Bäck

We consider the problem of personalizing audio to maximize user experience. Briefly, we aim to find a filter $h^*$, which applied to any music or speech, will maximize the user's satisfaction. This is a black-box optimization problem since…

Sound · Computer Science 2025-07-18 Rajalaxmi Rajagopalan , Yu-Lin Wei , Romit Roy Choudhury

Although pre-trained language models encode generic knowledge beneficial for planning and control, they may fail to generate appropriate control policies for domain-specific tasks. Existing fine-tuning methods use human feedback to address…

Artificial Intelligence · Computer Science 2024-04-02 Yunhao Yang , Neel P. Bhatt , Tyler Ingebrand , William Ward , Steven Carr , Zhangyang Wang , Ufuk Topcu

Bayesian optimization (BO) is increasingly employed in critical applications to find the optimal design with minimal cost. While BO is known for its sample efficiency, relying solely on costly high-fidelity data can still result in high…

Artificial Intelligence · Computer Science 2025-03-25 Zahra Zanjani Foumani , Ramin Bostanabad

Bayesian optimization is a class of data efficient model based algorithms typically focused on global optimization. We consider the more general case where a user is faced with multiple problems that each need to be optimized conditional on…

Machine Learning · Statistics 2020-11-04 Michael Pearce , Janis Klaise , Matthew Groves

Offline model-based optimization (MBO) seeks to discover high-performing designs using only a fixed dataset of past evaluations. Most existing methods rely on learning a surrogate model via regression and implicitly assume that good…

Machine Learning · Computer Science 2026-03-05 Shen-Huan Lyu , Rong-Xi Tan , Ke Xue , Yi-Xiao He , Yu Huang , Qingfu Zhang , Chao Qian

Zero-shot optimization involves optimizing a target task that was not seen during training, aiming to provide the optimal solution without or with minimal adjustments to the optimizer. It is crucial to ensure reliable and robust performance…

Neural and Evolutionary Computing · Computer Science 2024-12-09 Xiaobin Li , Kai Wu , Yujian Betterest Li , Xiaoyu Zhang , Handing Wang , Jing Liu

Bayesian optimization (BO) is widely used to optimize expensive-to-evaluate black-box functions.BO first builds a surrogate model to represent the objective function and assesses its uncertainty. It then decides where to sample by…

Machine Learning · Computer Science 2024-01-25 Jiayu Zhao , Renyu Yang , Shenghao Qiu , Zheng Wang

Most research in Bayesian optimization (BO) has focused on \emph{direct feedback} scenarios, where one has access to exact values of some expensive-to-evaluate objective. This direction has been mainly driven by the use of BO in machine…

Machine Learning · Computer Science 2021-09-02 Eero Siivola , Akash Kumar Dhaka , Michael Riis Andersen , Javier Gonzalez , Pablo Garcia Moreno , Aki Vehtari

Because of its sample efficiency, Bayesian optimization (BO) has become a popular approach dealing with expensive black-box optimization problems, such as hyperparameter optimization (HPO). Recent empirical experiments showed that the loss…

Machine Learning · Computer Science 2021-11-11 Difan Deng , Marius Lindauer

Bayesian optimization (BO) is a powerful black-box optimization framework that looks to efficiently learn the global optimum of an unknown system by systematically trading-off between exploration and exploitation. However, the use of BO as…

Optimization and Control · Mathematics 2023-03-28 Dinesh Krishnamoorthy , Joel A. Paulson

We study test-time scaling, where a model improves its answer through multi-round self-reflection at inference. We introduce In-Context Policy Optimization (ICPO), in which an agent optimizes its response in context using self-assessed or…

Machine Learning · Computer Science 2026-03-03 Tianrun Yu , Yuxiao Yang , Zhaoyang Wang , Kaixiang Zhao , Porter Jenkins , Xuchao Zhang , Chetan Bansal , Huaxiu Yao , Weitong Zhang

Training Large Language Models (LLMs) for chain-of-thought reasoning presents a significant challenge: supervised fine-tuning on a single "golden" rationale hurts generalization as it penalizes equally valid alternatives, whereas…

Computation and Language · Computer Science 2025-11-14 Mingye Zhu , Yi Liu , Zheren Fu , Quan Wang , Yongdong Zhang

Bayesian optimization (BO) is widely adopted in black-box optimization problems and it relies on a surrogate model to approximate the black-box response function. With the increasing number of black-box optimization tasks solved and even…

Machine Learning · Computer Science 2023-08-10 Wenlong Lyu , Shoubo Hu , Jie Chuai , Zhitang Chen

Optimizing black-box functions is a fundamental problem in science and engineering. To solve this problem, many approaches learn a surrogate function that estimates the underlying objective from limited historical evaluations. Large…

Machine Learning · Computer Science 2025-10-23 Tung Nguyen , Aditya Grover

Experiments in engineering are typically conducted in controlled environments where parameters can be set to any desired value. This assumes that the same applies in a real-world setting -- an assumption that is often incorrect as many…

Machine Learning · Computer Science 2025-11-18 Mike Diessner , Kevin J. Wilson , Richard D. Whalley

Energy systems optimization problems are complex due to strongly non-linear system behavior and multiple competing objectives, e.g. economic gain vs. environmental impact. Moreover, a large number of input variables and different variable…

Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such…

Machine Learning · Computer Science 2023-11-07 Lin Yang , Junlong Lyu , Wenlong Lyu , Zhitang Chen

Feature-based offline algorithm selection has shown its effectiveness in a wide range of optimization problems, including the black-box optimization problem. An algorithm selection system selects the most promising optimizer from an…

Machine Learning · Computer Science 2024-05-21 Takushi Yoshikawa , Ryoji Tanabe