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Autonomous agents powered by large language models (LLMs) have the potential to significantly enhance human productivity by reasoning, using tools, and executing complex tasks in diverse environments. However, current approaches to…

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

Agentic AI enables LLM to dynamically reason, plan, and interact with tools to solve complex tasks. However, agentic workflows often require many iterative reasoning steps and tool invocations, leading to significant operational expense,…

Artificial Intelligence · Computer Science 2026-02-03 Sami Abuzakuk , Anne-Marie Kermarrec , Rishi Sharma , Rasmus Moorits Veski , Martijn de Vos

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations;…

Drug discovery is a complex, multi-step pipeline that remains heavily dependent on manual, experience-driven operations; meanwhile, existing customized artificial intelligence tools are fragmented across web applications, desktop software,…

Biomolecules · Quantitative Biology 2026-03-03 Qihua Pan , Dong Xu , Qianwei Yang , Jenna Xinyi Yao , Sisi Yuan , Zexuan Zhu , Jianqiang Li , Junkai Ji

LLMs have advanced text-to-SQL generation, yet monolithic architectures struggle with complex reasoning and schema diversity. We propose AGENTIQL, an agent-inspired multi-expert framework that combines a reasoning agent for question…

Computation and Language · Computer Science 2025-10-15 Omid Reza Heidari , Siobhan Reid , Yassine Yaakoubi

Entity relationship classification remains a challenging task in information extraction, especially in scenarios with limited labeled data and complex relational structures. In this study, we conduct a comparative analysis of three distinct…

Computation and Language · Computer Science 2026-03-24 Maryam Berijanian , Kuldeep Singh , Amin Sehati

In this paper, we describe and benchmark a competitor-discovery component used within an agentic AI system for fast drug asset due diligence. A competitor-discovery AI agent, given an indication, retrieves all drugs comprising the…

Software development is a complex, multi-phase process traditionally requiring collaboration among individuals with diverse expertise. We propose AgentMesh, a Python-based framework that uses multiple cooperating LLM-powered agents to…

Software Engineering · Computer Science 2025-07-29 Sourena Khanzadeh

LLM agents call tools, query databases, delegate tasks, and trigger external side effects. Once an agent system can act in the world, the question is no longer only whether harmful actions can be prevented--it is whether those actions…

Artificial Intelligence · Computer Science 2026-04-08 Yi Nian , Aojie Yuan , Haiyue Zhang , Jiate Li , Yue Zhao

Our paper introduces a generative, multiagent AI framework designed to overcome the rigidity, limited flexibility and technical barriers of current bibliometric tools. The objective is to enable researchers to perform fully dynamic,…

Digital Libraries · Computer Science 2026-04-29 Adela Bara , Simona-Vasilica Oprea

Analyzing unstructured data has been a persistent challenge in data processing. Large Language Models (LLMs) have shown promise in this regard, leading to recent proposals for declarative frameworks for LLM-powered processing of…

Databases · Computer Science 2025-04-03 Shreya Shankar , Tristan Chambers , Tarak Shah , Aditya G. Parameswaran , Eugene Wu

Recent advances in large language models (LLMs) have enabled multi-agent reasoning systems capable of collaborative decision-making. However, in financial analysis, most frameworks remain narrowly focused on either isolated single-agent…

Computational Engineering, Finance, and Science · Computer Science 2025-10-28 Chen-Che Lu , Yun-Cheng Chou , Teng-Ruei Chen

The performance of large language models (LLMs) depends on how they are prompted, with choices spanning both the high-level prompting pattern (e.g., Zero-Shot, CoT, ReAct, ReWOO) and the specific prompt content (instructions and few-shot…

Machine Learning · Computer Science 2025-11-05 Claudio Spiess , Mandana Vaziri , Louis Mandel , Martin Hirzel

Optimizing the structure of molecules to achieve desired properties is a central bottleneck across the chemical sciences, particularly in the pharmaceutical industry where it underlies the discovery of new drugs. Since molecular property…

Artificial Intelligence · Computer Science 2026-02-19 Fabian P. Krüger , Andrea Hunklinger , Adrian Wolny , Tim J. Adler , Igor Tetko , Santiago David Villalba

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

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

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

Public research results on large-scale supervised finetuning of AI agents remain relatively rare, since the collection of agent training data presents unique challenges. In this work, we argue that the bottleneck is not a lack of underlying…

The reasoning capabilities of LLM (Large Language Model) are widely acknowledged in recent research, inspiring studies on tool learning and autonomous agents. LLM serves as the "brain" of the agent, orchestrating multiple tools for…

Machine Learning · Computer Science 2024-03-26 Xiangyan Liu , Rongxue Li , Wei Ji , Tao Lin
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