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Transformer-based large language models are rapidly advancing in the field of machine learning research, with applications spanning natural language, biology, chemistry, and computer programming. Extreme scaling and reinforcement learning…

Chemical Physics · Physics 2023-04-12 Daniil A. Boiko , Robert MacKnight , Gabe Gomes

The advances made by Large Language Models (LLMs) have led to the pursuit of LLM agents that can solve intricate, multi-step reasoning tasks. As with any research pursuit, benchmarking and evaluation are key corner stones to efficient and…

Artificial Intelligence · Computer Science 2024-04-10 Luca Gioacchini , Giuseppe Siracusano , Davide Sanvito , Kiril Gashteovski , David Friede , Roberto Bifulco , Carolin Lawrence

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

Trust in AI agents has been extensively studied in the literature, resulting in significant advancements in our understanding of this field. However, the rapid advancements in Large Language Models (LLMs) and the emergence of LLM-based AI…

Artificial Intelligence · Computer Science 2023-08-11 Sivan Schwartz , Avi Yaeli , Segev Shlomov

Foundation models (FMs) such as large language models have revolutionized the field of AI by showing remarkable performance in various tasks. However, they exhibit numerous limitations that prevent their broader adoption in many real-world…

Artificial Intelligence · Computer Science 2024-02-05 Debarun Bhattacharjya , Junkyu Lee , Don Joven Agravante , Balaji Ganesan , Radu Marinescu

Designing efficient reward functions for low-level control tasks is a challenging problem. Recent research aims to reduce reliance on expert experience by using Large Language Models (LLMs) with task information to generate dense reward…

Artificial Intelligence · Computer Science 2026-03-02 Ning Gao , Xiuhui Zhang , Xingyu Jiang , Mukang You , Mohan Zhang , Yue Deng

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap…

Computation and Language · Computer Science 2026-01-21 Anurag Acharya , Timothy Vega , Rizwan A. Ashraf , Anshu Sharma , Derek Parker , Robert Rallo

The rise of LLM-based agents has opened new frontiers in AI applications, yet evaluating these agents remains a complex and underdeveloped area. This survey provides an in-depth overview of the emerging field of LLM agent evaluation,…

Machine Learning · Computer Science 2025-07-30 Mahmoud Mohammadi , Yipeng Li , Jane Lo , Wendy Yip

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

Computer simulations offer a robust toolset for exploring complex systems across various disciplines. A particularly impactful approach within this realm is Agent-Based Modeling (ABM), which harnesses the interactions of individual agents…

Artificial Intelligence · Computer Science 2023-12-19 Zengqing Wu , Run Peng , Xu Han , Shuyuan Zheng , Yixin Zhang , Chuan Xiao

Large Language Model (LLM)-based agents have emerged as a new paradigm that extends LLMs' capabilities beyond text generation to dynamic interaction with external environments. By integrating reasoning with perception, memory, and tool use,…

Artificial Intelligence · Computer Science 2025-09-23 Minxing Zhang , Yi Yang , Roy Xie , Bhuwan Dhingra , Shuyan Zhou , Jian Pei

Multi-agent large language models (MA-LLMs) are a rapidly growing research area that leverages multiple interacting language agents to tackle complex tasks, outperforming single-agent large language models. This literature review…

Multiagent Systems · Computer Science 2025-06-03 Arne Tillmann

Large language models (LLMs) are increasingly used as simulated participants in social science experiments, but their behavior is often unstable and highly sensitive to design choices. Prior evaluations frequently conflate base-model…

Artificial Intelligence · Computer Science 2026-02-03 Xuan Liu , Haoyang Shang , Zizhang Liu , Xinyan Liu , Yunze Xiao , Yiwen Tu , Haojian Jin

Since the advent of GPT, large language models (LLMs) have brought about revolutionary advancements in all walks of life. As a superior natural language processing (NLP) technology, LLMs have consistently achieved state-of-the-art…

Networking and Internet Architecture · Computer Science 2024-06-26 Danshi Wang , Yidi Wang , Xiaotian Jiang , Yao Zhang , Yue Pang , Min Zhang

Multi-agent systems powered by large language models have demonstrated remarkable capabilities across diverse domains, yet existing automated design approaches seek monolithic solutions that fail to adapt resource allocation based on query…

Artificial Intelligence · Computer Science 2025-10-06 Bo Ma , Hang Li , ZeHua Hu , XiaoFan Gui , LuYao Liu , Simon Liu

The long-standing vision of intelligent cities is to create efficient, livable, and sustainable urban environments using big data and artificial intelligence technologies. Recently, the advent of Large Language Models (LLMs) has opened new…

Multiagent Systems · Computer Science 2025-07-02 Jindong Han , Yansong Ning , Zirui Yuan , Hang Ni , Fan Liu , Tengfei Lyu , Hao Liu

Large Language Models (LLMs) are rapidly advancing across diverse domains, yet their application in theoretical physics remains inadequate. While current models show competence in mathematical reasoning and code generation, we identify…

Computation and Language · Computer Science 2026-03-13 Sirui Lu , Zhijing Jin , Terry Jingchen Zhang , Pavel Kos , J. Ignacio Cirac , Bernhard Schölkopf

The integration of Large Language Models (LLMs) into software engineering has driven a transition from traditional rule-based systems to autonomous agentic systems capable of solving complex problems. However, systematic progress is…

Software Engineering · Computer Science 2025-10-24 Jiale Guo , Suizhi Huang , Mei Li , Dong Huang , Xingsheng Chen , Regina Zhang , Zhijiang Guo , Han Yu , Siu-Ming Yiu , Pietro Lio , Kwok-Yan Lam

The concept of the 'agent' has profoundly shaped Artificial Intelligence (AI) research, guiding development from foundational theories to contemporary applications like Large Language Model (LLM)-based systems. This paper critically…

Artificial Intelligence · Computer Science 2025-09-16 Jesse Gardner , Vladimir A. Baulin