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Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

Agentic systems for drug discovery have demonstrated autonomous synthesis planning, literature mining, and molecular design. We ask how well they generalize. Evaluating six frameworks against 15 task classes drawn from peptide therapeutics,…

Quantitative Methods · Quantitative Biology 2026-02-12 Edward Wijaya

Multi-agent LLM frameworks are widely used to accelerate the development of agent systems powered by large language models (LLMs). These frameworks impose distinct architectural structures that govern how agents interact, store information,…

Artificial Intelligence · Computer Science 2026-02-04 Abdelghny Orogat , Ana Rostam , Essam Mansour

Agentic AI represents a transformative shift in artificial intelligence, but its rapid advancement has led to a fragmented understanding, often conflating modern neural systems with outdated symbolic models -- a practice known as conceptual…

Artificial Intelligence · Computer Science 2025-10-30 Mohamad Abou Ali , Fadi Dornaika

Recent breakthroughs in Large Language Models (LLMs) have led to the emergence of agentic AI systems that extend beyond the capabilities of standalone models. By empowering LLMs to perceive external environments, integrate multimodal…

Artificial Intelligence · Computer Science 2025-03-24 Chengkai Huang , Junda Wu , Yu Xia , Zixu Yu , Ruhan Wang , Tong Yu , Ruiyi Zhang , Ryan A. Rossi , Branislav Kveton , Dongruo Zhou , Julian McAuley , Lina Yao

In the age of large language models (LLMs), autonomous agents have emerged as a powerful paradigm for achieving general intelligence. These agents dynamically leverage tools, memory, and reasoning capabilities to accomplish user-defined…

Artificial Intelligence · Computer Science 2025-08-05 Chaojia Yu , Zihan Cheng , Hanwen Cui , Yishuo Gao , Zexu Luo , Yijin Wang , Hangbin Zheng , Yong Zhao

Large language models can consult information that fixed static analyzers cannot, such as documentation, current security advisories, version-specific metadata, and informal API contracts. This makes LLMs a compelling option for program…

Software Engineering · Computer Science 2026-05-14 Jacqueline L. Mitchell , Chao Wang

Agentic AI systems introduce a security surface that is qualitatively different from that of stateless LLMs. They persist memory, invoke external tools, coordinate with peer agents, and operate across sessions, allowing attacks to emerge…

Cryptography and Security · Computer Science 2026-05-07 Kexin Chu

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

We propose a multi-agent framework for modeling artificial consciousness in large language models (LLMs), grounded in psychoanalytic theory. Our \textbf{Psychodynamic Model} simulates self-awareness, preconsciousness, and unconsciousness…

Computation and Language · Computer Science 2025-10-22 Sang Hun Kim , Jongmin Lee , Dongkyu Park , So Young Lee , Yosep Chong

Real-world image restoration (IR) is inherently complex and often requires combining multiple specialized models to address diverse degradations. Inspired by human problem-solving, we propose AgenticIR, an agentic system that mimics the…

Computer Vision and Pattern Recognition · Computer Science 2025-02-18 Kaiwen Zhu , Jinjin Gu , Zhiyuan You , Yu Qiao , Chao Dong

Agentic AI systems, which leverage multiple autonomous agents and large language models (LLMs), are increasingly used to address complex, multi-step tasks. The safety, security, and functionality of these systems are critical, especially in…

Artificial Intelligence · Computer Science 2026-04-16 Edoardo Allegrini , Ananth Shreekumar , Z. Berkay Celik

As real-world datasets become more complex and heterogeneous, supervised learning is often bottlenecked by input representation design. Modeling multimodal data, such as time-series, free text, and structured records, often requires…

Artificial Intelligence · Computer Science 2026-05-22 Ilker Demirel , Lawrence Shi , Zeshan Hussain , David Sontag

Security Operations Centers (SOCs) increasingly encounter difficulties in correlating heterogeneous alerts, interpreting multi-stage attack progressions, and selecting safe and effective response actions. This study introduces AgentSOC, a…

Cryptography and Security · Computer Science 2026-04-23 Joyjit Roy , Samaresh Kumar Singh

Large language models (LLMs) have enabled a new class of agentic AI systems that reason, plan, and act by invoking external tools. However, most existing agentic architectures remain centralized and monolithic, limiting scalability,…

Computer Science and Game Theory · Computer Science 2026-02-04 Ya-Ting Yang , Quanyan Zhu

Large language model (LLM) agent evaluators leverage specialized tools to ground the rational decision-making of LLMs, making them well-suited to aid in scientific discoveries, such as constrained retrosynthesis planning. Constrained…

Artificial Intelligence · Computer Science 2025-08-19 Frazier N. Baker , Daniel Adu-Ampratwum , Reza Averly , Botao Yu , Huan Sun , Xia Ning

Evaluating large language model (LLM)-based multi-agent systems remains a critical challenge, as these systems must exhibit reliable coordination, transparent decision-making, and verifiable performance across evolving tasks. Existing…

Artificial Intelligence · Computer Science 2026-01-21 YenTing Lee , Keerthi Koneru , Zahra Moslemi , Sheethal Kumar , Ramesh Radhakrishnan

The rapid proliferation of large language model (LLM)-based agentic systems raises critical concerns regarding digital sovereignty, environmental sustainability, regulatory compliance, and ethical alignment. Whilst existing frameworks…

Interactive conversational recommender systems have gained significant attention for their ability to capture user preferences through natural language interactions. However, existing approaches face substantial challenges in handling…

Artificial Intelligence · Computer Science 2025-10-03 Bo Ma , Hang Li , ZeHua Hu , XiaoFan Gui , LuYao Liu , Simon Lau

Purpose: This paper introduces the concept of "Agentic Publication," a novel LLM-driven framework designed to complement traditional scientific publishing by transforming papers into interactive knowledge systems that address challenges…

Artificial Intelligence · Computer Science 2026-05-06 Roberto Pugliese , George Kourousias , Francesco Venier , Grazia Garlatti Costa