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In multi-task Bayesian optimization, the goal is to leverage experience from optimizing existing tasks to improve the efficiency of optimizing new ones. While approaches using multi-task Gaussian processes or deep kernel transfer exist, the…

Bayesian optimization (BO) is a powerful class of algorithms for optimizing expensive black-box functions, but designing effective BO algorithms remains a manual, expertise-driven task. Recent advancements in Large Language Models (LLMs)…

Machine Learning · Computer Science 2025-05-28 Wenhu Li , Niki van Stein , Thomas Bäck , Elena Raponi

Large Language Models (LLMs) have achieved remarkable success across diverse applications, yet their deployment remains challenging due to substantial computational costs, memory requirements, and energy consumption. Recent empirical…

Machine Learning · Computer Science 2026-03-24 Kaito Tanaka , Masato Ito , Yuji Nishimura , Keisuke Matsuda , Aya Nakayama

Despite their widespread adoption in various domains, especially due to their powerful reasoning capabilities, Large Language Models (LLMs) are not the off-the-shelf choice to drive multi-objective optimization yet. Conventional strategies…

Machine Learning · Computer Science 2026-01-21 Andrej Schwanke , Lyubomir Ivanov , David Salinas , Frank Hutter , Arber Zela

Large Language Models (LLMs) have demonstrated remarkable in-context learning capabilities, enabling flexible utilization of limited historical information to play pivotal roles in reasoning, problem-solving, and complex pattern recognition…

Machine Learning · Computer Science 2025-03-31 Zhonglin Jiang , Qian Tang , Zequn Wang

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

Generative optimization uses large language models (LLMs) to iteratively improve artifacts (such as code, workflows or prompts) using execution feedback. It is a promising approach to building self-improving agents, yet in practice remains…

In the rapidly evolving landscape of artificial intelligence (AI), generative large language models (LLMs) stand at the forefront, revolutionizing how we interact with our data. However, the computational intensity and memory consumption of…

Machine Learning · Computer Science 2025-07-24 Xupeng Miao , Gabriele Oliaro , Zhihao Zhang , Xinhao Cheng , Hongyi Jin , Tianqi Chen , Zhihao Jia

Analog circuit design requires substantial human expertise and involvement, which is a significant roadblock to design productivity. Bayesian Optimization (BO), a popular machine learning based optimization strategy, has been leveraged to…

Machine Learning · Computer Science 2025-04-04 Yuxuan Yin , Yu Wang , Boxun Xu , Peng Li

Optimization benchmarks play a fundamental role in assessing algorithm performance; however, existing artificial benchmarks often fail to capture the diversity and irregularity of real-world problem structures, while benchmarks derived from…

Neural and Evolutionary Computing · Computer Science 2026-01-26 Yuhiro Ono , Tomohiro Harada , Yukiya Miura

Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on…

Machine Learning · Computer Science 2024-03-11 Tennison Liu , Nicolás Astorga , Nabeel Seedat , Mihaela van der Schaar

Recent breakthroughs in generative reasoning have fundamentally reshaped how large language models (LLMs) address complex tasks, enabling them to dynamically retrieve, refine, and organize information into coherent multi-step reasoning…

Machine Learning · Computer Science 2026-01-06 Mohamed Amine Ferrag , Norbert Tihanyi , Merouane Debbah

Designing functional transition metal complexes (TMCs) faces challenges due to the vast search space of metals and ligands, requiring efficient optimization strategies. Traditional genetic algorithms (GAs) are commonly used, employing…

Chemical Physics · Physics 2024-10-25 Jieyu Lu , Zhangde Song , Qiyuan Zhao , Yuanqi Du , Yirui Cao , Haojun Jia , Chenru Duan

Bayesian optimization (BO) is a sequential decision-making tool widely used for optimizing expensive black-box functions. Recently, Large Language Models (LLMs) have shown remarkable adaptability in low-data regimes, making them promising…

Machine Learning · Computer Science 2025-10-10 Chih-Yu Chang , Milad Azvar , Chinedum Okwudire , Raed Al Kontar

We consider the task of generating functionally correct code using large language models (LLMs). The correctness of generated code is influenced by the prompt used to query the given base LLM. We formulate the problem of finding the…

Software Engineering · Computer Science 2025-12-18 Shlok Tomar , Aryan Deshwal , Ethan Villalovoz , Mattia Fazzini , Haipeng Cai , Janardhan Rao Doppa

Multi-objective optimization problems (MOPs) are ubiquitous in real-world applications, presenting a complex challenge of balancing multiple conflicting objectives. Traditional evolutionary algorithms (EAs), though effective, often rely on…

Neural and Evolutionary Computing · Computer Science 2024-07-29 Yuxiao Huang , Shenghao Wu , Wenjie Zhang , Jibin Wu , Liang Feng , Kay Chen Tan

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

This paper presents LLM2TEA, a Large Language Model (LLM) driven MultiTask Evolutionary Algorithm, representing the first agentic AI designer of its kind operating with generative evolutionary multitasking (GEM). LLM2TEA enables the…

Artificial Intelligence · Computer Science 2025-10-14 Melvin Wong , Jiao Liu , Thiago Rios , Stefan Menzel , Yew Soon Ong

Artificial intelligence (AI) methods have become critical in scientific applications to help accelerate scientific discovery. Large language models (LLMs) are being considered as a promising approach to address some of the challenging…

Conventional approaches to building energy retrofit decision making suffer from limited generalizability and low interpretability, hindering adoption in diverse residential contexts. With the growth of Smart and Connected Communities,…

Artificial Intelligence · Computer Science 2026-02-02 Lei Shu , Dong Zhao
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