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The difficulty and expense of obtaining large-scale human responses make Large Language Models (LLMs) an attractive alternative and a promising proxy for human behavior. However, prior work shows that LLMs often produce homogeneous outputs…

Artificial Intelligence · Computer Science 2025-10-09 Manh Hung Nguyen , Sebastian Tschiatschek , Adish Singla

Large language model (LLM)-based Multi-agent systems (MAS) have shown promise in tackling complex collaborative tasks, where agents are typically orchestrated via role-specific prompts. While the quality of these prompts is pivotal, jointly…

Artificial Intelligence · Computer Science 2026-05-11 Zhexuan Wang , Xuebo Liu , Li Wang , Zifei Shan , Yutong Wang , Zhenxi Song , Min Zhang

Recent advances in Large Language Model (LLM) agents have demonstrated their promising general capabilities. However, their performance in specialized real-world domains often degrades due to challenges in effectively integrating external…

Computation and Language · Computer Science 2025-10-10 Yuzheng Cai , Siqi Cai , Yuchen Shi , Zihan Xu , Lichao Chen , Yulei Qin , Xiaoyu Tan , Gang Li , Zongyi Li , Haojia Lin , Yong Mao , Ke Li , Xing Sun

Modern process simulators enable detailed process design, simulation, and optimization; however, constructing and interpreting simulations is time-consuming and requires expert knowledge. This limits early exploration by inexperienced…

Chemical Physics · Physics 2026-05-22 Jingkang Liang , Niklas Groll , Gürkan Sin

Recent advancements in large language models (LLMs) have enabled LLM-based agents to successfully tackle interactive planning tasks. However, despite their successes, existing approaches often suffer from planning hallucinations and require…

Computation and Language · Computer Science 2025-09-11 Weimin Xiong , Yifan Song , Qingxiu Dong , Bingchan Zhao , Feifan Song , Xun Wang , Sujian Li

Since the advent of large language models (LLMs), prompt engineering has been a crucial step for eliciting desired responses for various Natural Language Processing (NLP) tasks. However, prompt engineering remains an impediment for end…

The substantial data volumes encountered in modern particle physics and other domains of fundamental physics research allow (and require) the use of increasingly complex data analysis tools and workflows. While the use of machine learning…

High Energy Physics - Phenomenology · Physics 2026-02-18 Sascha Diefenbacher , Anna Hallin , Gregor Kasieczka , Michael Krämer , Anne Lauscher , Tim Lukas

Recent studies have uncovered the potential of Large Language Models (LLMs) in addressing complex sequential decision-making tasks through the provision of high-level instructions. However, LLM-based agents lack specialization in tackling…

Artificial Intelligence · Computer Science 2024-05-28 Zihao Zhou , Bin Hu , Chenyang Zhao , Pu Zhang , Bin Liu

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up…

Machine Learning · Computer Science 2025-06-09 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs). Recent works show that large language models (LLMs), when integrated into well-designed frameworks (i.e.,…

Artificial Intelligence · Computer Science 2026-05-12 Haoze Lv , Ning Lu , Ziang Zhou , Shengcai Liu

Model-based Reinforcement Learning (MBRL) is a promising framework for learning control in a data-efficient manner. MBRL algorithms can be fairly complex due to the separate dynamics modeling and the subsequent planning algorithm, and as a…

Machine Learning · Computer Science 2021-03-01 Baohe Zhang , Raghu Rajan , Luis Pineda , Nathan Lambert , André Biedenkapp , Kurtland Chua , Frank Hutter , Roberto Calandra

Large Language Models (LLMs) are increasingly deployed within agentic systems - collections of interacting, LLM-powered agents that execute complex, adaptive workflows using memory, tools, and dynamic planning. While enabling powerful new…

Artificial Intelligence · Computer Science 2025-11-21 Dany Moshkovich , Sergey Zeltyn

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

Large language models (LLMs) have formulated a blueprint for the advancement of artificial general intelligence. Its primary objective is to function as a human-centric (helpful, honest, and harmless) assistant. Alignment with humans…

Hyperparameter optimization (HPO) is a necessary step to ensure the best possible performance of Machine Learning (ML) algorithms. Several methods have been developed to perform HPO; most of these are focused on optimizing one performance…

Machine Learning · Computer Science 2022-11-16 Alejandro Morales-Hernández , Inneke Van Nieuwenhuyse , Sebastian Rojas Gonzalez

This paper presents a novel design of a multi-agent system framework that applies large language models (LLMs) to automate the parametrization of simulation models in digital twins. This framework features specialized LLM agents tasked with…

Artificial Intelligence · Computer Science 2024-07-23 Yuchen Xia , Daniel Dittler , Nasser Jazdi , Haonan Chen , Michael Weyrich

Large Language Models (LLMs) have demonstrated remarkable performance across various domains, motivating researchers to investigate their potential use in recommendation systems. However, directly applying LLMs to recommendation tasks has…

Information Retrieval · Computer Science 2024-06-21 Zhuoxi Bai , Ning Wu , Fengyu Cai , Xinyi Zhu , Yun Xiong

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

Large Language Models (LLMs) perform well in language tasks but often lack collaborative awareness and struggle to optimize global performance in multi-agent settings. We present a reinforcement learning-augmented LLM agent framework that…

Artificial Intelligence · Computer Science 2026-01-01 Dong Qiu , Duo Xu , Limengxi Yue

Recent large language models (LLMs) are promising for making decisions in grounded environments. However, LLMs frequently fail in complex decision-making tasks due to the misalignment between the pre-trained knowledge in LLMs and the actual…

Computation and Language · Computer Science 2023-10-27 Siqi Ouyang , Lei Li