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Large language models (LLM) are perceived to offer promising potentials for automating security tasks, such as those found in security operation centers (SOCs). As a first step towards evaluating this perceived potential, we investigate the…

Cryptography and Security · Computer Science 2024-02-01 Kumar Shashwat , Francis Hahn , Xinming Ou , Dmitry Goldgof , Lawrence Hall , Jay Ligatti , S. Raj Rajgopalan , Armin Ziaie Tabari

Agentic AI systems -- Large Language Models (LLMs) augmented with planning, tool use, memory, and long-horizon interactions -- can execute complex tasks autonomously, but their multi-step trajectories introduce new failure modes that…

Artificial Intelligence · Computer Science 2026-05-26 Jinhu Qi , Muzhi Li , Jiahong Liu , Yuqin Shu , Dianzhi Yu , Shicheng Ma , Wenqian Cui , Yiyang Zhao , Yiyi Chen , Ruoxi Jiang , Irwin King , Zenglin Xu

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

Large Language Models (LLMs), such as OpenAI-o1 and DeepSeek-R1, have demonstrated strong reasoning capabilities. To further enhance LLM capabilities, recent agentic systems, such as Deep Research, incorporate web interactions into LLM…

Artificial Intelligence · Computer Science 2025-10-21 Song Bian , Minghao Yan , Anand Jayarajan , Gennady Pekhimenko , Shivaram Venkataraman

We define Agency as the emergent capacity of AI systems to function as autonomous agents actively discovering problems, formulating hypotheses, and executing solutions through self-directed engagement with environments and tools. This…

The performance gap between closed-source and open-source large language models (LLMs) is largely attributed to disparities in access to high-quality training data. To bridge this gap, we introduce a novel framework for the automated…

Modern science is reaching a critical inflection point. Instruments across disciplines, from particle physics and astronomy to genomics and climate modeling, now produce data of such scale, diversity, and interdependence that traditional…

High Energy Physics - Experiment · Physics 2026-03-10 Ke Li , Beijiang Liu , Bruce Mellado , Changzheng Yuan , Zhengde Zhang

Large Language Models (LLMs) demonstrate strong performance but often lack interpretable reasoning. This paper introduces the Multi-Agent Collaboration Framework for Diverse Thinking Modes (DiMo), which enhances both performance and…

Computation and Language · Computer Science 2025-10-21 Zhixuan He , Yue Feng

Amongst the most common use cases of modern AI is LLM chat with web search enabled. However, no direct evaluations of the quality of web research agents exist that control for the continually-changing web. We introduce Deep Research Bench,…

Artificial Intelligence · Computer Science 2025-06-10 FutureSearch , : , Nikos I. Bosse , Jon Evans , Robert G. Gambee , Daniel Hnyk , Peter Mühlbacher , Lawrence Phillips , Dan Schwarz , Jack Wildman

Numerous software analysis tools exist today, yet applying them to diverse open-source projects remains challenging due to environment setup, dependency resolution, and tool configuration. LLM-based agents offer a potential solution, yet no…

Software Engineering · Computer Science 2026-04-20 Islem Bouzenia , Cristian Cadar , Michael Pradel

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

The pharmaceutical industry faces unprecedented challenges in drug discovery, with traditional approaches struggling to meet modern therapeutic development demands. This paper introduces a novel AI framework, Tippy, that transforms…

Large language models (LLMs) have recently achieved remarkable success in generating rigorous mathematical proofs, with "AI for Math" emerging as a vibrant field of research (Ju et al., 2026). While these models have mastered…

Artificial Intelligence · Computer Science 2026-03-10 Lve Meng , Weilong Zhao , Yanzhi Zhang , Haoxiang Guan , Jiyan He

Large Language Models (LLMs) are becoming increasingly powerful and capable of handling complex tasks, e.g., building single agents and multi-agent systems. Compared to single agents, multi-agent systems have higher requirements for the…

Computation and Language · Computer Science 2024-08-29 Wei Wang , Dan Zhang , Tao Feng , Boyan Wang , Jie Tang

LLM-based agents have emerged as transformative tools capable of executing complex tasks through iterative planning and action, achieving significant advancements in understanding and addressing user needs. Yet, their effectiveness remains…

Human-Computer Interaction · Computer Science 2025-08-26 Mithat Can Ozgun , Jiahuan Pei , Koen Hindriks , Lucia Donatelli , Qingzhi Liu , Junxiao Wang

The rapid emergence of large language models (LLMs) has raised urgent questions across the modern workforce about this new technology's strengths, weaknesses, and capabilities. For privacy professionals, the question is whether these AI…

Computers and Society · Computer Science 2025-08-13 Zane Witherspoon , Thet Mon Aye , YingYing Hao

The rapid evolution of agentic AI marks a new phase in artificial intelligence, where Large Language Models (LLMs) no longer merely respond but act, reason, and adapt. This survey traces the paradigm shift in building agentic AI: from…

Artificial Intelligence · Computer Science 2025-10-28 Jitao Sang , Jinlin Xiao , Jiarun Han , Jilin Chen , Xiaoyi Chen , Shuyu Wei , Yongjie Sun , Yuhang Wang

The integration of Agentic AI into scientific discovery marks a new frontier in research automation. These AI systems, capable of reasoning, planning, and autonomous decision-making, are transforming how scientists perform literature…

Computation and Language · Computer Science 2025-03-13 Mourad Gridach , Jay Nanavati , Khaldoun Zine El Abidine , Lenon Mendes , Christina Mack

We introduce MLRC-Bench, a benchmark designed to quantify how effectively language agents can tackle challenging Machine Learning (ML) Research Competitions, with a focus on open research problems that demand novel methodologies. Unlike…

Scientific discovery relies on scientists generating novel hypotheses that undergo rigorous experimental validation. To augment this process, we introduce an AI co-scientist, a multi-agent system built on Gemini 2.0. The AI co-scientist is…