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Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can…

Artificial Intelligence · Computer Science 2025-06-25 Gyeongwon James Kim , Alex Wilf , Louis-Philippe Morency , Daniel Fried

Leveraging Multi-modal Large Language Models (MLLMs) to accelerate frontier scientific research is promising, yet how to rigorously evaluate such systems remains unclear. Existing benchmarks mainly focus on single-document understanding,…

Artificial Intelligence · Computer Science 2026-04-14 Lei Xiong , Huaying Yuan , Zheng Liu , Zhao Cao , Zhicheng Dou

Agentic search has emerged as a promising paradigm for complex information seeking by enabling Large Language Models (LLMs) to interleave reasoning with tool use. However, prevailing systems rely on monolithic agents that suffer from…

Artificial Intelligence · Computer Science 2026-01-09 Yiqun Chen , Lingyong Yan , Zixuan Yang , Erhan Zhang , Jiashu Zhao , Shuaiqiang Wang , Dawei Yin , Jiaxin Mao

Creating end-to-end bioinformatics workflows requires diverse domain expertise, which poses challenges for both junior and senior researchers as it demands a deep understanding of both genomics concepts and computational techniques. While…

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

Self-organization is a process where a stable pattern is formed by the cooperative behavior between parts of an initially disordered system without external control or influence. It has been introduced to multi-agent systems as an internal…

Artificial Intelligence · Computer Science 2021-05-27 Jieting Luo , Beishui Liao , John-Jules Meyer

While AI for Science (AI4S) serves as an analytical tool in the current research paradigm, it doesn't solve its core inefficiency. We propose "Agent for Science" (Agent4S)-the use of LLM-driven agents to automate the entire research…

Artificial Intelligence · Computer Science 2025-07-01 Boyuan Zheng , Zerui Fang , Zhe Xu , Rui Wang , Yiwen Chen , Cunshi Wang , Mengwei Qu , Lei Lei , Zhen Feng , Yan Liu , Yuyang Li , Mingzhou Tan , Jiaji Wu , Jianwei Shuai , Jia Li , Fangfu Ye

Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…

Although artificial intelligence (AI) agents are increasingly proposed to support potentially longitudinal health tasks, such as symptom management, behavior change, and patient support, most current implementations fall short of…

Artificial Intelligence · Computer Science 2026-04-30 Georgianna Lin , Rencong Jiang , Noémie Elhadad , Xuhai "Orson" Xu

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

Large Language Models (LLMs) are transforming artificial intelligence, evolving into task-oriented systems capable of autonomous planning and execution. One of the primary applications of LLMs is conversational AI systems, which must…

Computation and Language · Computer Science 2025-01-22 Elad Levi , Ilan Kadar

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…

The engineering design process often demands expertise from multiple domains, leading to complex collaborations and iterative refinements. Traditional methods can be resource-intensive and prone to inefficiencies. To address this, we…

Artificial Intelligence · Computer Science 2026-01-01 Varun Kumar , George Em Karniadakis

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Intelligent systems for the annotation of media content are increasingly being used for the automation of parts of social science research. In this domain the problem of integrating various Artificial Intelligence (AI) algorithms into a…

Multiagent Systems · Computer Science 2018-06-05 Ilias Flaounas , Thomas Lansdall-Welfare , Panagiota Antonakaki , Nello Cristianini

Modern information systems require autonomous agents capable of navigating complex workflows, yet current methodologies often struggle with the transition from structured metadata parsing to general environmental perception. While the…

Artificial Intelligence · Computer Science 2026-05-28 Susanna Cifani , Mario Luca Bernardi , Marta Cimitile

Data science tasks involving tabular data present complex challenges that require sophisticated problem-solving approaches. We propose AutoKaggle, a powerful and user-centric framework that assists data scientists in completing daily data…

Despite the remarkable progress of large language models (LLMs), the capabilities of standalone LLMs have begun to plateau when tackling real-world, complex tasks that require interaction with external tools and dynamic environments.…

Automatic search for Multi-Agent Systems has recently emerged as a key focus in agentic AI research. Several prior approaches have relied on LLM-based free-form search over the code space. In this work, we propose a more structured…

Fully autonomous science has long been a defining ambition for artificial intelligence in materials discovery, yet its realization requires more than automating isolated calculations. In computational catalysis, a system autonomously…

Materials Science · Physics 2026-05-13 Honghao Chen , Jiangjie Qiu , Yi Shen Tew , Xiaonan Wang