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In recent years, large language models (LLMs) have made remarkable progress, with model optimization primarily relying on gradient-based optimizers such as Adam. However, these gradient-based methods impose stringent hardware requirements,…

Artificial Intelligence · Computer Science 2025-10-24 WenTao Liu , Siyu Song , Hao Hao , Aimin Zhou

Automatic performance tuning (auto-tuning) is essential for optimizing high-performance applications, where vast and irregular search spaces make manual exploration infeasible. While auto-tuners traditionally rely on classical approaches…

Machine Learning · Computer Science 2026-04-01 Floris-Jan Willemsen , Niki van Stein , Ben van Werkhoven

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

In this reproducibility study, we revisit the LLAMBO framework of Daxberger et al. (2024), a prompting-based Bayesian optimization (BO) method that uses large language models as discriminative surrogates and acquisition optimizers via…

Computation and Language · Computer Science 2025-11-25 Adam Rychert , Gasper Spagnolo , Evgenii Posashkov

Autonomous tuning of particle accelerators is an active and challenging field of research with the goal of enabling novel accelerator technologies cutting-edge high-impact applications, such as physics discovery, cancer research and…

Computation and Language · Computer Science 2024-05-16 Jan Kaiser , Annika Eichler , Anne Lauscher

Large Language Models (LLMs) have shown notable potential in code generation for optimization algorithms, unlocking exciting new opportunities. This paper examines how LLMs, rather than creating algorithms from scratch, can improve existing…

Artificial Intelligence · Computer Science 2025-07-22 Camilo Chacón Sartori , Christian Blum

Algorithm design is crucial for effective problem-solving across various domains. The advent of Large Language Models (LLMs) has notably enhanced the automation and innovation within this field, offering new perspectives and promising…

Machine Learning · Computer Science 2026-01-06 Fei Liu , Yiming Yao , Ping Guo , Zhiyuan Yang , Zhe Zhao , Xi Lin , Xialiang Tong , Kun Mao , Zhichao Lu , Zhenkun Wang , Mingxuan Yuan , Qingfu Zhang

Bayesian optimization (BO) is a sequential approach for optimizing black-box objective functions using zeroth-order noisy observations. In BO, Gaussian processes (GPs) are employed as probabilistic surrogate models to estimate the objective…

Machine Learning · Computer Science 2025-04-02 Dongwon Kim , Matteo Zecchin , Sangwoo Park , Joonhyuk Kang , Osvaldo Simeone

Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…

Computation and Language · Computer Science 2025-06-12 Yuxin Jiang

This paper explores the use of foundational large language models (LLMs) in hyperparameter optimization (HPO). Hyperparameters are critical in determining the effectiveness of machine learning models, yet their optimization often relies on…

Machine Learning · Computer Science 2024-11-12 Michael R. Zhang , Nishkrit Desai , Juhan Bae , Jonathan Lorraine , Jimmy Ba

Algorithm selection, a critical process of automated machine learning, aims to identify the most suitable algorithm for solving a specific problem prior to execution. Mainstream algorithm selection techniques heavily rely on problem…

Machine Learning · Computer Science 2024-05-17 Xingyu Wu , Yan Zhong , Jibin Wu , Bingbing Jiang , Kay Chen Tan

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…

Optimizing an expensive-to-query function is a common task in science and engineering, where it is beneficial to keep the number of queries to a minimum. A popular strategy is Bayesian optimization (BO), which leverages probabilistic models…

Machine Learning · Computer Science 2019-07-05 Willie Neiswanger , Kirthevasan Kandasamy , Barnabas Poczos , Jeff Schneider , Eric Xing

A significant barrier to the widespread adoption of Bayesian inference is the specification of prior distributions and likelihoods, which often requires specialized statistical expertise. This paper investigates the feasibility of using a…

Artificial Intelligence · Computer Science 2025-08-13 Yongchao Huang

Discovering the governing equations of dynamical systems is a central problem across many scientific disciplines. As experimental data become increasingly available, automated equation discovery methods offer a promising data-driven…

Machine Learning · Computer Science 2026-04-07 Amirmohammad Ziaei Bideh , Jonathan Gryak

To lower the expertise barrier in machine learning, the AutoML community has focused on the CASH problem, which jointly automates algorithm selection and hyperparameter tuning. While traditional methods like Bayesian Optimization (BO)…

Machine Learning · Computer Science 2026-05-08 Beicheng Xu , Weitong Qian , Lingching Tung , Yupeng Lu , Bin Cui

Meta-Black-Box Optimization (MetaBBO) is an emerging avenue within Optimization community, where algorithm design policy could be meta-learned by reinforcement learning to enhance optimization performance. So far, the reward functions in…

Machine Learning · Computer Science 2026-01-30 Zechuan Huang , Zhiguang Cao , Hongshu Guo , Yue-Jiao Gong , Zeyuan Ma

Bayesian optimization (BO) is a leading method for optimizing expensive black-box optimization and has been successfully applied across various scenarios. However, BO suffers from the curse of dimensionality, making it challenging to scale…

Machine Learning · Computer Science 2025-04-03 Vu Viet Hoang , Hung The Tran , Sunil Gupta , Vu Nguyen

Over the last few decades, researchers have made considerable efforts to make decision support more accessible for small and medium enterprises by reducing the cost of designing, developing and maintaining automated decision support…

Software Engineering · Computer Science 2025-04-07 Daniel Karapetyan

Selecting the optimal combination of a machine learning (ML) algorithm and its hyper-parameters is crucial for the development of high-performance ML systems. However, since the combination of ML algorithms and hyper-parameters is enormous,…

Machine Learning · Computer Science 2025-02-14 Kazuki Ishikawa , Ryota Ozaki , Yohei Kanzaki , Ichiro Takeuchi , Masayuki Karasuyama
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