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While large language models (LLMs) have transformed AI agents into proficient executors of computational materials science, performing a hundred simulations does not make a researcher. What distinguishes research from routine execution is…

Computational Physics · Physics 2026-03-16 Haonan Huang

This paper reviews the architecture and implementation methods of agents powered by large language models (LLMs). Motivated by the limitations of traditional LLMs in real-world tasks, the research aims to explore patterns to develop…

Artificial Intelligence · Computer Science 2025-10-13 Victor de Lamo Castrillo , Habtom Kahsay Gidey , Alexander Lenz , Alois Knoll

The primary goal of this study is to analyze agentic workflows in education according to the proposed four major technological paradigms: reflection, planning, tool use, and multi-agent collaboration. We critically examine the role of AI…

Artificial Intelligence · Computer Science 2026-01-27 Firuz Kamalov , David Santandreu Calonge , Linda Smail , Dilshod Azizov , Dimple R. Thadani , Theresa Kwong , Amara Atif

We introduce a novel framework for simulating macroeconomic expectations using LLM Agents. By constructing LLM Agents equipped with various functional modules, we replicate three representative survey experiments involving several…

General Economics · Economics 2025-11-26 Jianhao Lin , Lexuan Sun , Yixin Yan

The pursuit of alpha returns that exceed market benchmarks has undergone a profound transformation, evolving from intuition-driven investing to autonomous, AI powered systems. This paper introduces a comprehensive five stage taxonomy that…

Machine Learning · Computer Science 2025-05-22 Mohammad Rubyet Islam

Designing high-performance system heuristics is a creative, iterative process requiring experts to form hypotheses and execute multi-step conceptual shifts. While Large Language Models (LLMs) show promise in automating this loop, they…

Artificial Intelligence · Computer Science 2026-03-24 Pantea Karimi , Kimia Noorbakhsh , Mohammad Alizadeh , Hari Balakrishnan

Autonomous agents powered by large language models (LLMs) perform complex tasks through long-horizon reasoning and tool interaction, where a fundamental trade-off arises between execution efficiency and reasoning robustness. Models at…

Computation and Language · Computer Science 2026-03-30 Wenbo Gao , Renxi Liu , Xian Wang , Fang Guo , Shuai Yang , Xi Chen , Hui-Ling Zhen , Hanting Chen , Weizhe Lin , Xiaosong Li , Yaoyuan Wang

Existing unstructured data analytics systems rely on experts to write code and manage complex analysis workflows, making them both expensive and time-consuming. To address these challenges, we introduce AgenticData, an innovative agentic…

Databases · Computer Science 2025-08-08 Ji Sun , Guoliang Li , Peiyao Zhou , Yihui Ma , Jingzhe Xu , Yuan Li

Extracting actionable insights from complex value stream map simulations can be challenging, time-consuming, and error-prone. Recent advances in large language models offer new avenues to support users with this task. While existing…

Computation and Language · Computer Science 2026-04-15 Micha Selak , Dirk Krechel , Adrian Ulges , Sven Spieckermann , Niklas Stoehr , Andreas Loehr

The recent development of Agentic AI systems, empowered by autonomous large language models (LLMs) agents with planning and tool-usage capabilities, enables new possibilities for the evolution of industrial automation and reduces the…

Machine Learning · Computer Science 2026-01-07 Marcos Lima Romero , Ricardo Suyama

Simulating consumer decision-making is vital for designing and evaluating marketing strategies before costly real-world deployment. However, post-event analyses and rule-based agent-based models (ABMs) struggle to capture the complexity of…

Artificial Intelligence · Computer Science 2025-10-22 Man-Lin Chu , Lucian Terhorst , Kadin Reed , Tom Ni , Weiwei Chen , Rongyu Lin

For machine agents to successfully interact with humans in real-world settings, they will need to develop an understanding of human mental life. Intuitive psychology, the ability to reason about hidden mental variables that drive observable…

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

Large language models (LLMs) have demonstrated remarkable capabilities across diverse tasks, but optimizing LLM-based agentic systems remains challenging due to the vast search space of agent configurations, prompting strategies, and…

Machine Learning · Computer Science 2026-03-02 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

Recent advances in Large Language Models (LLMs) demonstrate that chain-of-thought prompting and deep reasoning substantially enhance performance on complex tasks, and multi-agent systems can further improve accuracy by enabling model…

Artificial Intelligence · Computer Science 2025-10-16 Zehui Ling , Deshu Chen , Yichi Zhang , Yuchen Liu , Xigui Li , Xin Guo , Yuan Cheng

Inventory management remains a challenge for many small and medium-sized businesses that lack the expertise to deploy advanced optimization methods. This paper investigates whether Large Language Models (LLMs) can help bridge this gap. We…

Artificial Intelligence · Computer Science 2026-01-05 Yaqi Duan , Yichun Hu , Jiashuo Jiang

Agentic AI systems use specialized agents to handle tasks within complex workflows, enabling automation and efficiency. However, optimizing these systems often requires labor-intensive, manual adjustments to refine roles, tasks, and…

Computation and Language · Computer Science 2024-12-24 Kamer Ali Yuksel , Hassan Sawaf

Automating operations research (OR) with large language models (LLMs) remains limited by hand-crafted reasoning--execution workflows. Complex OR tasks require adaptive coordination among problem interpretation, mathematical formulation,…

Artificial Intelligence · Computer Science 2026-04-21 Jiahao Huang , Peilan Xu , Xiaoya Nan , Wenjian Luo

Agentic systems have recently emerged as a promising tool to automate literature-based ideation. However, current systems often remain black-box, with limited transparency or control for researchers. Our work introduces TrustResearcher, a…

Multiagent Systems · Computer Science 2026-01-27 Jiawei Zhou , Ruicheng Zhu , Mengshi Chen , Jianwei Wang , Kai Wang

AGENTiGraph is a user-friendly, agent-driven system that enables intuitive interaction and management of domain-specific data through the manipulation of knowledge graphs in natural language. It gives non-technical users a complete, visual…