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Bayesian optimization (BO) is an effective paradigm for the optimization of expensive-to-sample systems. Standard BO learns the performance of a system $f(x)$ by using a Gaussian Process (GP) model; this treats the system as a black-box and…

Machine Learning · Statistics 2025-01-03 Leonardo D. González , Victor M. Zavala

Large language models (LLMs) are increasingly used to convert natural language descriptions into mathematical optimization formulations. Current evaluations often treat formulations as a whole, relying on coarse metrics like solution…

Machine Learning · Computer Science 2025-10-21 Dania Refai , Moataz Ahmed

By virtue of its great utility in solving real-world problems, optimization modeling has been widely employed for optimal decision-making across various sectors, but it requires substantial expertise from operations research professionals.…

Empowered by large language models (LLMs), intelligent agents have become a popular paradigm for interacting with open environments to facilitate AI deployment. However, hallucinations generated by LLMs-where outputs are inconsistent with…

Machine Learning · Computer Science 2025-07-23 Siyuan Liu , Wenjing Liu , Zhiwei Xu , Xin Wang , Bo Chen , Tao Li

Inference-time alignment effectively steers large language models (LLMs) by generating multiple candidates from a reference model and selecting among them with an imperfect reward model. However, current strategies face a fundamental…

Artificial Intelligence · Computer Science 2026-03-10 Hsiang Hsu , Eric Lei , Chun-Fu Chen

We study offline black-box optimization (BBO), aiming to discover improved designs from an offline dataset of designs and labels, a problem common in robotics, DNA, and materials science with limited labeled samples. While recent work…

Computational Engineering, Finance, and Science · Computer Science 2026-05-26 Zipeng Sun , Can Chen , Ye Yuan , Haolun Wu , Jiayao Gu , Christopher Pal , Xue Liu

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

When gradient-based methods are impractical, black-box optimization (BBO) provides a valuable alternative. However, BBO often struggles with high-dimensional problems and limited trial budgets. In this work, we propose a novel approach…

Systems and Control · Electrical Eng. & Systems 2025-10-03 Riccardo Busetto , Manas Mejari , Marco Forgione , Alberto Bemporad , Dario Piga

Learning to optimize (L2O) is an emerging approach that leverages machine learning to develop optimization methods, aiming at reducing the laborious iterations of hand engineering. It automates the design of an optimization method based on…

Optimization and Control · Mathematics 2021-07-05 Tianlong Chen , Xiaohan Chen , Wuyang Chen , Howard Heaton , Jialin Liu , Zhangyang Wang , Wotao Yin

Given the increasing importance of machine learning (ML) in our lives, several algorithmic fairness techniques have been proposed to mitigate biases in the outcomes of the ML models. However, most of these techniques are specialized to…

Optimizing costly black-box functions within a constrained evaluation budget presents significant challenges in many real-world applications. Surrogate Optimization (SO) is a common resolution, yet its proprietary nature introduced by the…

Machine Learning · Computer Science 2024-10-21 Nazanin Nezami , Hadis Anahideh

The advancement of Large Language Models (LLMs) has significantly boosted performance in natural language processing (NLP) tasks. However, the deployment of high-performance LLMs incurs substantial costs, primarily due to the increased…

Machine Learning · Computer Science 2024-03-22 Saehan Jo , Immanuel Trummer

Bayesian Optimization (BO) is a popular approach to optimizing expensive-to-evaluate black-box functions. Despite the success of BO, its performance may decrease exponentially as the dimensionality increases. A common framework to tackle…

Machine Learning · Computer Science 2024-12-24 Quoc-Anh Hoang Nguyen , The Hung Tran

Large language models (LLMs) have shown remarkable instruction-following capabilities and achieved impressive performances in various applications. However, the performances of LLMs depend heavily on the instructions given to them, which…

Machine Learning · Computer Science 2024-06-25 Xiaoqiang Lin , Zhaoxuan Wu , Zhongxiang Dai , Wenyang Hu , Yao Shu , See-Kiong Ng , Patrick Jaillet , Bryan Kian Hsiang Low

Large language models (LLMs) have exhibited exciting progress in multiple scenarios, while the huge computational demands hinder their deployments in lots of real-world applications. As an effective means to reduce memory footprint and…

Machine Learning · Computer Science 2024-06-21 Yijun Liu , Yuan Meng , Fang Wu , Shenhao Peng , Hang Yao , Chaoyu Guan , Chen Tang , Xinzhu Ma , Zhi Wang , Wenwu Zhu

Black-Box Optimization (BBO) methods can find optimal policies for systems that interact with complex environments with no analytical representation. As such, they are of interest in many Artificial Intelligence (AI) domains. Yet classical…

Machine Learning · Computer Science 2020-06-17 Mor Sinay , Elad Sarafian , Yoram Louzoun , Noa Agmon , Sarit Kraus

Test-time scaling has become a dominant paradigm for improving LLM agent reliability, yet current approaches treat compute as an abundant resource, allowing agents to exhaust token and tool budgets on redundant steps or dead-end…

Machine Learning · Computer Science 2026-03-16 Yushu Li , Wenlong Deng , Jiajin Li , Xiaoxiao Li

The rapid advancement of large language models has unlocked remarkable capabilities across a diverse array of natural language processing tasks. However, the considerable differences among available LLMs-in terms of cost, performance, and…

Artificial Intelligence · Computer Science 2025-05-23 Yifan Zhang , Xinkui Zhao , Zuxin Wang , Guanjie Cheng , Yueshen Xu , Shuiguang Deng , Jianwei Yin

Many problems in science and engineering involve optimizing an expensive black-box function over a high-dimensional space. For such black-box optimization (BBO) problems, we typically assume a small budget for online function evaluations,…

Machine Learning · Computer Science 2023-08-22 Siddarth Krishnamoorthy , Satvik Mehul Mashkaria , Aditya Grover

Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment.…

Machine Learning · Computer Science 2023-09-15 Mohamed Aziz Bhouri , Michael Joly , Robert Yu , Soumalya Sarkar , Paris Perdikaris
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