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Related papers: Language-Based Bayesian Optimization Research Assi…

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This study introduces SLLMBO, an innovative framework leveraging large language models (LLMs) for hyperparameter optimization (HPO), incorporating dynamic search space adaptability, enhanced parameter space exploitation, and a novel…

Machine Learning · Computer Science 2025-01-06 Kanan Mahammadli , Seyda Ertekin

Bayesian Optimization (BO) is a technique for sample-efficient black-box optimization that employs probabilistic models to identify promising input locations for evaluation. When dealing with composite-structured functions, such as f=g o h,…

Machine Learning · Computer Science 2024-07-11 Natalie Maus , Zhiyuan Jerry Lin , Maximilian Balandat , Eytan Bakshy

Bayesian optimization is a powerful method for optimizing black-box functions with limited function evaluations. Recent works have shown that optimization in a latent space through deep generative models such as variational autoencoders…

Machine Learning · Computer Science 2023-11-21 Seunghun Lee , Jaewon Chu , Sihyeon Kim , Juyeon Ko , Hyunwoo J. Kim

This work develops an LLM-based optimization framework ensuring strict constraint satisfaction in network optimization. While LLMs possess contextual reasoning capabilities, existing approaches often fail to enforce constraints, causing…

Networking and Internet Architecture · Computer Science 2025-09-10 Youngjin Song , Wookjin Lee , Hong Ki Kim , Sang Hyun Lee

Systematic reviews are crucial for synthesizing scientific evidence but remain labor-intensive, especially when extracting detailed methodological information. Large language models (LLMs) offer potential for automating methodological…

Computation and Language · Computer Science 2025-10-14 Wenqing Zhang , Trang Nguyen , Elizabeth A. Stuart , Yiqun T. Chen

Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box…

Low-Rank Adaptation (LoRA) enables parameter-efficient fine-tuning of large language models by decomposing weight updates into low-rank matrices, significantly reducing storage and computational overhead. While effective, standard LoRA…

Machine Learning · Computer Science 2025-09-03 Patryk Marszałek , Klaudia Bałazy , Jacek Tabor , Tomasz Kuśmierczyk

Automated optimization modeling via Large Language Models (LLMs) has emerged as a promising approach to assist complex human decision-making. While post-training has become a pivotal technique to enhance LLMs' capabilities in this domain,…

Machine Learning · Computer Science 2026-02-13 Weiting Liu , Han Wu , Yufei Kuang , Xiongwei Han , Tao Zhong , Jianfeng Feng , Wenlian Lu

Bayesian Optimization critically depends on the choice of acquisition function, but no single strategy is universally optimal; the best choice is non-stationary and problem-dependent. Existing adaptive portfolio methods often base their…

Machine Learning · Computer Science 2026-02-10 Giang Ngo , Dat Phan Trong , Dang Nguyen , Sunil Gupta , Svetha Venkatesh

Bayesian Optimization (BO) is a sample-efficient black-box optimizer commonly used in search spaces where hyperparameters are independent. However, in many practical AutoML scenarios, there will be dependencies among hyperparameters,…

Machine Learning · Computer Science 2025-01-28 Jiaxing Li , Wei Liu , Chao Xue , Yibing Zhan , Xiaoxing Wang , Weifeng Liu , Dacheng Tao

Experimental (design) optimization is a key driver in designing and discovering new products and processes. Bayesian Optimization (BO) is an effective tool for optimizing expensive and black-box experimental design processes. While Bayesian…

Machine Learning · Computer Science 2024-02-28 Arun Kumar A , Alistair Shilton , Sunil Gupta , Santu Rana , Stewart Greenhill , Svetha Venkatesh

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback…

Machine Learning · Computer Science 2024-05-17 Pingchuan Ma , Tsun-Hsuan Wang , Minghao Guo , Zhiqing Sun , Joshua B. Tenenbaum , Daniela Rus , Chuang Gan , Wojciech Matusik

While systems designed for solving planning tasks vastly outperform Large Language Models (LLMs) in this domain, they usually discard the rich semantic information embedded within task descriptions. In contrast, LLMs possess parametrised…

Computation and Language · Computer Science 2025-02-03 Andrey Borro , Patricia J Riddle , Michael W Barley , Michael J Witbrock

This paper investigates the performance of Large Language Models (LLMs) as generative optimizers for solving constrained multi-objective regression tasks, specifically within the challenging domain of inverse design (property-to-structure…

Machine Learning · Computer Science 2025-11-04 Muhammad Bilal Awan , Abdul Razzaq , Abdul Shahid

The optimal assignment of Large Language Models (LLMs) to specialized roles in multi-agent systems is a significant challenge, defined by a vast combinatorial search space, expensive black-box evaluations, and an inherent trade-off between…

Multiagent Systems · Computer Science 2025-11-18 Antonio Sabbatella

Large language models (LLMs) are the foundation of the current successes of artificial intelligence (AI), however, they are unavoidably biased. To effectively communicate the risks and encourage mitigation efforts these models need adequate…

Computation and Language · Computer Science 2025-01-14 Carolin M. Schuster , Maria-Alexandra Dinisor , Shashwat Ghatiwala , Georg Groh

This systematic review explores the application of Large Language Models (LLMs) in Combinatorial Optimization (CO). We report our findings using the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. We…

Artificial Intelligence · Computer Science 2026-03-18 Francesca Da Ros , Michael Soprano , Luca Di Gaspero , Kevin Roitero

Bayesian optimization (BO) has for sequential optimization of expensive black-box functions demonstrated practicality and effectiveness in many real-world settings. Meta-Bayesian optimization (meta-BO) focuses on improving the sample…

We introduce a unified framework for contextual and causal Bayesian optimisation, which aims to design intervention policies maximising the expectation of a target variable. Our approach leverages both observed contextual information and…

Machine Learning · Computer Science 2026-02-04 Vahan Arsenyan , Antoine Grosnit , Haitham Bou-Ammar , Arnak Dalalyan

Recent work reported that simple Bayesian optimization (BO) methods perform well for high-dimensional real-world tasks, seemingly contradicting prior work and tribal knowledge. This paper investigates why. We identify underlying challenges…

Machine Learning · Computer Science 2026-05-15 Leonard Papenmeier , Matthias Poloczek , Luigi Nardi