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With the rapid development of Large Language Models (LLMs), LLM-based agents have been widely adopted in various fields, becoming essential for autonomous decision-making and interactive tasks. However, current work typically relies on…

Artificial Intelligence · Computer Science 2026-02-25 Shangheng Du , Jiabao Zhao , Jinxin Shi , Zhentao Xie , Xin Jiang , Yanhong Bai , Liang He

Large Language Model (LLM)-empowered multi-agent systems extend the cognitive boundaries of individual agents through disciplined collaboration and interaction, while constructing these systems often requires labor-intensive manual designs.…

Machine Learning · Computer Science 2025-06-10 Guibin Zhang , Luyang Niu , Junfeng Fang , Kun Wang , Lei Bai , Xiang Wang

The proliferation of large language models (LLMs) has accelerated the adoption of agent-based workflows, where multiple autonomous agents reason, invoke functions, and collaborate to compose complex data pipelines. However, current…

Databases · Computer Science 2025-12-15 Zoi Kaoudi , Ioana Giurgiu

Scientific discovery is increasingly constrained by costly experiments and limited resources, underscoring the need for efficient optimization in AI for science. Bayesian Optimization (BO), though widely adopted for balancing exploration…

Artificial Intelligence · Computer Science 2026-05-19 Xinzhe Yuan , Zhuo Chen , Jianshu Zhang , Huan Xiong , Nanyang Ye , Yuqiang Li , Qinying Gu

Multi-agent systems provide a powerful way to extend large language models (LLMs) by decomposing a complex task into specialized subtasks handled by different agents. However, their performance is often hindered by error propagation,…

Machine Learning · Computer Science 2026-05-14 Zheng Wang , Yuang Liu , Yangkai Ding

Mathematical reasoning is a fundamental capability for large language models (LLMs), yet achieving high performance in this domain remains a significant challenge. The auto-regressive generation process often makes LLMs susceptible to…

Artificial Intelligence · Computer Science 2024-12-02 Xiaoxuan Lou , Chaojie Wang , Bo An

Many real-world scientific and industrial applications require the optimization of expensive black-box functions. Bayesian Optimization (BO) provides an effective framework for such problems. However, traditional BO methods are prone to get…

Artificial Intelligence · Computer Science 2025-09-29 Zhuo Yang , Daolang Wang , Lingli Ge , Beilun Wang , Tianfan Fu , Yuqiang Li

We propose MUMBO, the first high-performing yet computationally efficient acquisition function for multi-task Bayesian optimization. Here, the challenge is to perform efficient optimization by evaluating low-cost functions somehow related…

Machine Learning · Computer Science 2020-06-23 Henry B. Moss , David S. Leslie , Paul Rayson

Automatic Machine Learning (Auto-ML) systems tackle the problem of automating the design of prediction models or pipelines for data science. In this paper, we present Lifelong Bayesian Optimization (LBO), an online, multitask Bayesian…

Machine Learning · Statistics 2019-06-24 Yao Zhang , James Jordon , Ahmed M. Alaa , Mihaela van der Schaar

The exploration-exploitation trade-off is central to sequential decision-making and black-box optimization, yet how Large Language Models (LLMs) reason about and manage this trade-off remains poorly understood. Unlike Bayesian Optimization,…

Machine Learning · Computer Science 2026-04-01 Andrea Carbonati , Mohammadsina Almasi , Hadis Anahideh

Parametric multi-objective optimization (PMO) addresses the challenge of solving an infinite family of multi-objective optimization problems, where optimal solutions must adapt to varying parameters. Traditional methods require re-execution…

Neural and Evolutionary Computing · Computer Science 2025-11-11 Ji Cheng , Bo Xue , Qingfu Zhang

Aligning large language models (LLMs) with diverse and multifaceted user preferences is a fundamental challenge in personalized AI systems. Existing multi-objective alignment methods either rely on costly training or require pre-trained…

Computation and Language · Computer Science 2026-05-26 Linhao Luo , Thuy-Trang Vu , Van-Anh Nguyen , Junae Kim , Gholamreza Haffari , Dinh Phung

Hyperparameter optimization is critical in modern machine learning, requiring expert knowledge, numerous trials, and high computational and human resources. Despite the advancements in Automated Machine Learning (AutoML), challenges in…

Machine Learning · Computer Science 2025-02-27 Siyi Liu , Chen Gao , Yong Li

To accelerate mechanical design and enhance design quality and innovation, we present a Multidisciplinary Design and Optimization (MDO) Agent driven by Large Language Models (LLMs). The agent semi-automates the end-to-end workflow by…

Human-Computer Interaction · Computer Science 2025-11-25 Bingkun Guo , Wentian Li , Xiaojian Liu , Jiaqi Luo , Zibin Yu , Dalong Dong , Shuyou Zhang , Yiming Zhang

Prompt-based offline methods are commonly used to optimize large language model (LLM) responses, but evaluating these responses is computationally intensive and often fails to accommodate diverse response styles. This study introduces a…

Human-Computer Interaction · Computer Science 2025-11-12 Xiangxiang Dai , Yuejin Xie , Maoli Liu , Xuchuang Wang , Zhuohua Li , Huanyu Wang , John C. S. Lui

Large Language Models (LLMs) have enabled self-improving AI systems that iteratively generate, evaluate, and refine their outcomes. Recent studies show that prompt-optimization-based self-improvement can outperform state-of-the-art…

Artificial Intelligence · Computer Science 2026-01-07 Enoch Hyunwook Kang , Hema Yoganarasimhan

Multi-objective Bayesian optimization (MOBO) provides a principled framework for optimizing expensive black-box functions with multiple objectives. However, existing MOBO methods often struggle with coverage, scalability with respect to the…

Machine Learning · Computer Science 2026-04-20 Yaohong Yang , Sammie Katt , Samuel Kaski

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

Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to…

This paper presents an algorithm for multiobjective optimization that blends together a number of heuristics. A population of agents combines heuristics that aim at exploring the search space both globally and in a neighborhood of each…

Computational Engineering, Finance, and Science · Computer Science 2012-06-07 Massimiliano Vasile , Federico Zuiani