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Recent advances in the intrinsic reasoning capabilities of large language models (LLMs) have given rise to LLM-based agent systems that exhibit near-human performance on a variety of automated tasks. However, although these systems share…

Artificial Intelligence · Computer Science 2025-08-26 Bingxi Zhao , Lin Geng Foo , Ping Hu , Christian Theobalt , Hossein Rahmani , Jun Liu

While Large Language Models (LLMs) demonstrate remarkable proficiency in semantic understanding, they often struggle to ensure structural consistency and reasoning reliability in complex decision-making tasks that demand rigorous logic.…

Artificial Intelligence · Computer Science 2026-01-26 Hongjia Wu , Shuai Zhou , Hongxin Zhang , Wei Chen

The automatic synthesis of a program from any form of specification is regarded as a holy grail of computer science. Fueled by LLMs, NL2Code has achieved tremendous success, yet the fundamentally more challenging task of synthesizing…

Machine Learning · Computer Science 2026-05-18 Yihong Dong , Jiaru Qian , Haoran Zhang , Peixu Wang , Binhua Li , Zhi Jin , Yongbin Li , Ge Li , Xiaokang Yang , Xue Jiang

The adoption of large language models (LLMs) and autonomous agents in software engineering marks an enduring paradigm shift. These systems create new opportunities for tool design, workflow orchestration, and empirical observation, while…

Software Engineering · Computer Science 2025-11-04 Christoph Treude , Margaret-Anne Storey

The rapid advancement of Large Language Models (LLMs) and their integration into autonomous agent systems has created unprecedented opportunities for document analysis, decision support, and knowledge retrieval. However, the complexity of…

Machine Learning · Computer Science 2026-01-13 Tzu-Hsuan Lin , Chih-Hsuan Kao

Automating scientific computing workflows requires more than generating executable code: autonomous systems must also select appropriate computational strategies, implement them faithfully, and ensure that the resulting outcomes remain…

Artificial Intelligence · Computer Science 2026-05-29 Geremy Loachamín-Suntaxi , Robert Lazar , Dimitrios G. Giovanis , Ioannis G. Kevrekidis , Eleni D. Koronaki

The rapid advancement of LLMs has led to the creation of diverse agentic systems in data analysis, utilizing LLMs' capabilities to improve insight generation and visualization. In this paper, we present an agentic system that automates the…

Artificial Intelligence · Computer Science 2025-05-30 Ran Zhang , Mohannad Elhamod

AI agents using Large Language Models (LLMs) as foundations have shown promise in solving complex real-world tasks. In this paper, we propose an LLM-based agentic workflow for automating Standard Operating Procedures (SOP). For customer…

Human-Computer Interaction · Computer Science 2025-03-21 Mandar Kulkarni

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

Coding agents powered by large language models (LLMs) have gained traction for automating code generation through iterative problem-solving with minimal human involvement. Despite the emergence of various frameworks, e.g., LangChain,…

Machine Learning · Computer Science 2025-08-19 Junpeng Wang , Yuzhong Chen , Menghai Pan , Chin-Chia Michael Yeh , Mahashweta Das

The exponential growth of academic publications poses challenges for the research process, such as literature review and procedural planning. Large Language Models (LLMs) have emerged as powerful AI tools, especially when combined with…

Applied Physics · Physics 2025-02-13 Joaquin Ramirez-Medina , Mohammadmehdi Ataei , Alidad Amirfazli

Artificial Intelligence (AI) pipelines have become integral to modern research, supporting fields such as Medical Sciences, Agriculture, and Social Sciences, and enabling large-scale data analysis, predictive modeling, and the automation of…

Information Retrieval · Computer Science 2026-05-20 Hyacinth Ali , Jessie Galasso-Carbonnel , Houari Sahraoui

Large language model (LLM) agents currently depend on predefined tools or early-stage tool generation, limiting their adaptability and scalability to complex scientific tasks. We introduce CASCADE, a self-evolving agentic framework…

Artificial Intelligence · Computer Science 2026-01-29 Xu Huang , Junwu Chen , Yuxing Fei , Zhuohan Li , Philippe Schwaller , Gerbrand Ceder

Process simulation is a critical cornerstone of chemical engineering design. Current automated chemical design methodologies focus mainly on various representations of process flow diagrams. However, transforming these diagrams into…

Artificial Intelligence · Computer Science 2026-01-13 Xufei Tian , Wenli Du , Shaoyi Yang , Han Hu , Hui Xin , Shifeng Qu , Ke Ye

This paper introduces a multi-agent framework guided by Large Language Models (LLMs) to assist in the early stages of engineering design, a phase often characterized by vast parameter spaces and inherent uncertainty. Operating under a…

Artificial Intelligence · Computer Science 2026-04-21 Varun Kumar , George Em Karniadakis

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

With the increasing interest in robotic synthesis in the context of organic chemistry, the automated extraction of chemical procedures from literature is critical. However, this task remains challenging due to the inherent ambiguity of…

Artificial Intelligence · Computer Science 2025-07-02 Yu Zhang , Ruijie Yu , Jidong Tian , Feng Zhu , Jiapeng Liu , Xiaokang Yang , Yaohui Jin , Yanyan Xu

Recent advancements on Large Language Models (LLMs) enable AI Agents to automatically generate and execute multi-step plans to solve complex tasks. However, since LLM's content generation process is hardly controllable, current LLM-based…

Machine Learning · Computer Science 2024-08-13 Zelong Li , Wenyue Hua , Hao Wang , He Zhu , Yongfeng Zhang

The rapid deployment of large language model (LLM)-based agents introduces a new class of risks, driven by their capacity for autonomous planning, multi-step tool integration, and emergent interactions. It raises some risk factors for…

Multiagent Systems · Computer Science 2025-12-04 Rafflesia Khan , Declan Joyce , Mansura Habiba

In this paper we introduce ResearchCodeAgent, a novel multi-agent system leveraging large language models (LLMs) agents to automate the codification of research methodologies described in machine learning literature. The system bridges the…

Software Engineering · Computer Science 2025-05-06 Shubham Gandhi , Dhruv Shah , Manasi Patwardhan , Lovekesh Vig , Gautam Shroff