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Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

With the development of foundation model (FM), agentic AI systems are getting more attention, yet their inherent issues like hallucination and poor reasoning, coupled with the frequent ad-hoc nature of system design, lead to unreliable and…

Artificial Intelligence · Computer Science 2026-01-28 Minh-Dung Dao , Quy Minh Le , Hoang Thanh Lam , Duc-Trong Le , Quoc-Viet Pham , Barry O'Sullivan , Hoang D. Nguyen

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin

General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks. Simply increasing model size or introducing reasoning…

AI agent research spans a wide spectrum: from RL agents that learn from scratch to foundation model agents that leverage pre-trained knowledge, yet no unified benchmark enables fair comparison across these approaches. We present Agentick, a…

Artificial Intelligence · Computer Science 2026-05-14 Roger Creus Castanyer , Pablo Samuel Castro , Glen Berseth

The advancement of large language model (LLM) based agents has shifted AI evaluation from single-turn response assessment to multi-step task completion in interactive environments. We present an empirical study evaluating frontier AI models…

Artificial Intelligence · Computer Science 2026-01-15 Logan Ritchie , Sushant Mehta , Nick Heiner , Mason Yu , Edwin Chen

The ability of Large Language Models (LLMs) to use external tools unlocks powerful real-world interactions, making rigorous evaluation essential. However, current benchmarks primarily report final accuracy, revealing what models can do but…

Computation and Language · Computer Science 2026-01-29 Qihao Wang , Yue Hu , Mingzhe Lu , Jiayue Wu , Yanbing Liu , Yuanmin Tang

Production agentic systems make many model calls per user request, and most of those calls are short, structured, and routine. This raises a practical routing question that existing evaluations do not directly answer: which parts of an…

Artificial Intelligence · Computer Science 2026-05-04 Ranit Karmakar , Jayita Chatterjee

The integration of Large Language Models (LLMs) into software engineering has driven a transition from traditional rule-based systems to autonomous agentic systems capable of solving complex problems. However, systematic progress is…

Software Engineering · Computer Science 2025-10-24 Jiale Guo , Suizhi Huang , Mei Li , Dong Huang , Xingsheng Chen , Regina Zhang , Zhijiang Guo , Han Yu , Siu-Ming Yiu , Pietro Lio , Kwok-Yan Lam

Despite recent advancements in Large Language Models (LLMs), complex Software Engineering (SE) tasks require more collaborative and specialized approaches. This concept paper systematically reviews the emerging paradigm of LLM-based…

Software Engineering · Computer Science 2026-01-21 Yongjian Tang , Thomas Runkler

As the strength of Large Language Models (LLMs) has grown over recent years, so too has interest in their use as the underlying models for autonomous agents. Although LLMs demonstrate emergent abilities and broad expertise across natural…

Artificial Intelligence · Computer Science 2024-12-06 Chris Sypherd , Vaishak Belle

Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundary extends. Existing benchmarks are mostly static and provide limited support…

Machine Learning · Computer Science 2026-05-27 Yuheng Yang , Siqi Zhu , Tao Feng , Ge Liu , Jiaxuan You

Mental health disorders affect millions worldwide, and healthcare systems are increasingly overwhelmed by the volume of clinical data generated from electronic records, telemedicine platforms, and population-level screening programs. At the…

Artificial Intelligence · Computer Science 2026-05-14 Giuliano Lorenzoni , Paulo Alencar , Donald Cowan

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

Multimodal Large Language Models (MLLMs) are evolving from passive observers into active agents, solving problems through Visual Expansion (invoking visual tools) and Knowledge Expansion (open-web search). However, existing evaluations fall…

Artificial Intelligence · Computer Science 2026-04-06 Qianshan Wei , Yishan Yang , Siyi Wang , Jinglin Chen , Binyu Wang , Jiaming Wang , Shuang Chen , Zechen Li , Yang Shi , Yuqi Tang , Weining Wang , Yi Yu , Chaoyou Fu , Qi Li , Yi-Fan Zhang

Large-language models (LLMs) have demonstrated powerful problem-solving capabilities, in particular when organized in multi-agent systems. However, the advent of such systems also raises several questions on the ability of a complex network…

Multiagent Systems · Computer Science 2025-07-14 Florian Grötschla , Luis Müller , Jan Tönshoff , Mikhail Galkin , Bryan Perozzi

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

Agentic systems are becoming more capable: agents define strategies, take actions, and interact with different environments. This autonomy poses serious challenges for overseeing and assessing agent behavior. Most current tools are limited,…

Computation and Language · Computer Science 2026-05-22 Asaf Yehudai , Lilach Eden , Michal Shmueli-Scheuer

Large Language Model (LLM)-based agents that plan, use tools and act has begun to shape healthcare and medicine. Reported studies demonstrate competence on various tasks ranging from EHR analysis and differential diagnosis to treatment…

Artificial Intelligence · Computer Science 2026-02-05 Shubham Vatsal , Harsh Dubey , Aditi Singh

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