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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

Designing optimization approaches, whether heuristic or meta-heuristic, usually demands extensive manual intervention and has difficulty generalizing across diverse problem domains. The combination of Large Language Models (LLMs) and…

Neural and Evolutionary Computing · Computer Science 2024-10-29 He Yu , Jing Liu

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

The emergence of Large Language Models (LLMs) has reshaped agent systems. Unlike traditional rule-based agents with limited task scope, LLM-powered agents offer greater flexibility, cross-domain reasoning, and natural language interaction.…

Artificial Intelligence · Computer Science 2026-05-05 Guannan Liang , Qianqian Tong

Large Language Models (LLMs) are transforming artificial intelligence, enabling autonomous agents to perform diverse tasks across various domains. These agents, proficient in human-like text comprehension and generation, have the potential…

Artificial Intelligence · Computer Science 2024-04-10 Saikat Barua

Large Language Models (LLMs) have made remarkable strides in various tasks. Whether LLMs are competitive few-shot solvers for information extraction (IE) tasks, however, remains an open problem. In this work, we aim to provide a thorough…

Computation and Language · Computer Science 2024-04-15 Yubo Ma , Yixin Cao , YongChing Hong , Aixin Sun

Large Language Models (LLMs) possess substantial reasoning capabilities and are increasingly applied to optimization tasks, particularly in synergy with evolutionary computation. However, while recent surveys have explored specific aspects…

Neural and Evolutionary Computing · Computer Science 2026-01-08 Yisong Zhang , Ran Cheng , Guoxing Yi , Kay Chen Tan

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

In sequential decision-making (SDM) tasks, methods like reinforcement learning (RL) and heuristic search have made notable advances in specific cases. However, they often require extensive exploration and face challenges in generalizing…

Machine Learning · Computer Science 2024-10-11 Xue Yan , Yan Song , Xidong Feng , Mengyue Yang , Haifeng Zhang , Haitham Bou Ammar , Jun Wang

Large Language Models (LLMs) have transformed NLP with their remarkable In-context Learning (ICL) capabilities. Automated assistants based on LLMs are gaining popularity; however, adapting them to novel tasks is still challenging. While…

Computation and Language · Computer Science 2024-06-13 Anwoy Chatterjee , Eshaan Tanwar , Subhabrata Dutta , Tanmoy Chakraborty

Large Language Models (LLMs) demonstrate strong few-shot generalization through in-context learning, yet their reasoning in dynamic and stochastic environments remains opaque. Prior studies mainly focus on static tasks and overlook the…

Artificial Intelligence · Computer Science 2025-12-23 Jensen Zhang , Jing Yang , Keze Wang

Large Language Models (LLMs) have emerged as integral tools for reasoning, planning, and decision-making, drawing upon their extensive world knowledge and proficiency in language-related tasks. LLMs thus hold tremendous potential for…

Artificial Intelligence · Computer Science 2024-05-24 Xudong Guo , Kaixuan Huang , Jiale Liu , Wenhui Fan , Natalia Vélez , Qingyun Wu , Huazheng Wang , Thomas L. Griffiths , Mengdi Wang

Large Language Models (LLMs) have rapidly transformed the landscape of artificial intelligence, enabling natural language interfaces and dynamic orchestration of software components. However, their reliance on probabilistic inference limits…

Machine Learning · Computer Science 2025-07-01 Claudionor Coelho , Yanen Li , Philip Tee

Bayesian Optimization is ubiquitous in experimental design and black-box optimization for improving search efficiency. However, most existing approaches rely on regression models which are limited to fixed search spaces and structured,…

Machine Learning · Computer Science 2025-10-10 Tung Nguyen , Qiuyi Zhang , Bangding Yang , Chansoo Lee , Jorg Bornschein , Yingjie Miao , Sagi Perel , Yutian Chen , Xingyou Song

The use of Large Language Models (LLMs) has drawn growing interest within the scientific community. LLMs can handle large volumes of textual data and support methods for evidence synthesis. Although recent studies highlight the potential of…

Software Engineering · Computer Science 2026-02-12 Cauã Ferreira Barros , Marcos Kalinowski , Mohamad Kassab , Valdemar Vicente Graciano Neto

Transformer-based Large Language Models (LLMs) have been applied in diverse areas such as knowledge bases, human interfaces, and dynamic agents, and marking a stride towards achieving Artificial General Intelligence (AGI). However, current…

Computation and Language · Computer Science 2024-02-27 Yunpeng Huang , Jingwei Xu , Junyu Lai , Zixu Jiang , Taolue Chen , Zenan Li , Yuan Yao , Xiaoxing Ma , Lijuan Yang , Hao Chen , Shupeng Li , Penghao Zhao

Large Language Models (LLMs) have transformed artificial intelligence by excelling in complex natural language processing tasks. Their ability to generate human-like text has opened new possibilities for market research, particularly in…

Artificial Intelligence · Computer Science 2026-04-20 Mengxin Wang , Dennis J. Zhang , Heng Zhang

Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed…

Machine Learning · Statistics 2024-12-23 James Requeima , John Bronskill , Dami Choi , Richard E. Turner , David Duvenaud

Large Language Models (LLMs) have emerged as a transformative power in enhancing natural language comprehension, representing a significant stride toward artificial general intelligence. The application of LLMs extends beyond conventional…

Large Language Models (LLMs) have demonstrated remarkable reasoning abilities, prompting interest in their application as black-box optimizers. This paper asserts that LLMs possess the capability for zero-shot optimization across diverse…

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