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The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

Artificial Intelligence · Computer Science 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler

Agents based on Large Language Models (LLMs) have shown promise for performing sophisticated software engineering tasks autonomously. In addition, there has been progress towards developing agents that can perform parts of the research…

Computation and Language · Computer Science 2026-04-23 Nicholas Edwards , Yukyung Lee , Yujun Audrey Mao , Yulu Qin , Sebastian Schuster , Najoung Kim

Recent advances in machine learning and AI, including Generative AI and LLMs, are disrupting technological innovation, product development, and society as a whole. AI's contribution to technology can come from multiple approaches that…

Recent advances in large language models (LLMs) have spurred growing interest in using LLM-integrated agents for social simulation, often under the implicit assumption that realistic population dynamics will emerge once role-specified…

Multiagent Systems · Computer Science 2026-05-08 Yiming Li , Dacheng Tao

Inspired by recent and revolutionary developments in AI, particularly in language understanding and generation, we set about designing AI systems that are able to address complex scientific tasks that challenge human capabilities to make…

Computation and Language · Computer Science 2022-11-01 José Manuel Gómez-Pérez

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap…

Computation and Language · Computer Science 2026-01-21 Anurag Acharya , Timothy Vega , Rizwan A. Ashraf , Anshu Sharma , Derek Parker , Robert Rallo

There is a growing focus on how to design safe artificial intelligent (AI) agents. As systems become more complex, poorly specified goals or control mechanisms may cause AI agents to engage in unwanted and harmful outcomes. Thus it is…

Artificial Intelligence · Computer Science 2017-01-09 Mark Muraven

AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assisted steps toward \emph{agentic science at scale}. This…

Artificial intelligence (AI) tools such as large language models (LLMs) are already altering student learning. Unlike previous technologies, LLMs can independently solve problems regardless of student understanding, yet are not always…

Theoretical Economics · Economics 2025-09-04 Eric Gao

Much research in artificial intelligence is concerned with the development of autonomous agents that can interact effectively with other agents. An important aspect of such agents is the ability to reason about the behaviours of other…

Artificial Intelligence · Computer Science 2018-02-12 Stefano V. Albrecht , Peter Stone

Using multiple agents was found to improve the debugging capabilities of Large Language Models. However, increasing the number of LLM-agents has several drawbacks such as increasing the running costs and rising the risk for the agents to…

Software Engineering · Computer Science 2025-04-28 Yacine Majdoub , Eya Ben Charrada , Haifa Touati

Artificial intelligence is undergoing a profound transition from a computational instrument to an autonomous originator of scientific knowledge. This emerging paradigm, the AI scientist, is architected to emulate the complete scientific…

Artificial Intelligence · Computer Science 2026-01-21 Guiyao Tie , Pan Zhou , Lichao Sun

The AI community has been exploring a pathway to artificial general intelligence (AGI) by developing "language agents", which are complex large language models (LLMs) pipelines involving both prompting techniques and tool usage methods.…

AI research agents can now generate research ideas, design experiments, run code, and draft papers, raising the possibility of large-scale AI-assisted scientific discovery. Many current agent frameworks explicitly encourage the generation…

Computation and Language · Computer Science 2026-05-28 Yixuan Tang , Yi Yang

Large Language Models (LLMs) based autonomous agents demonstrate multifaceted capabilities to contribute substantially to economic production. However, existing benchmarks remain focused on single agentic capability, failing to capture…

Artificial Intelligence · Computer Science 2026-04-24 Keyu Li , Junhao Shi , Yang Xiao , Mohan Jiang , Jie Sun , Yunze Wu , Dayuan Fu , Shijie Xia , Xiaojie Cai , Tianze Xu , Weiye Si , Wenjie Li , Dequan Wang , Pengfei Liu

AI agents hold growing promise for accelerating scientific discovery; yet, a lack of frontier evaluations hinders adoption into real workflows. Expert-written benchmarks have proven effective at measuring AI reasoning, but most at this…

The rapid advancement of artificial intelligence (AI) is changing our lives in many ways. One application domain is data science. New techniques in automating the creation of AI, known as AutoAI or AutoML, aim to automate the work practices…

Human-Computer Interaction · Computer Science 2019-09-06 Dakuo Wang , Justin D. Weisz , Michael Muller , Parikshit Ram , Werner Geyer , Casey Dugan , Yla Tausczik , Horst Samulowitz , Alexander Gray

Recent advancements in large language model (LLM) agents have significantly accelerated scientific discovery automation, yet concurrently raised critical ethical and safety concerns. To systematically address these challenges, we introduce…

Artificial Intelligence · Computer Science 2025-05-30 Kunlun Zhu , Jiaxun Zhang , Ziheng Qi , Nuoxing Shang , Zijia Liu , Peixuan Han , Yue Su , Haofei Yu , Jiaxuan You

Frontier scientific reasoning is rapidly emerging as a key foundation for advancing AI agents in automated scientific discovery. Deep research agents offer a promising approach to this challenge. These models develop robust problem-solving…

Artificial Intelligence · Computer Science 2026-05-27 Tianshi Zheng , Rui Wang , Xiyun Li , Kelvin Kiu Wai Tam , Newt Nguyen Kim Hue Nam , Wei Fan , Yangqiu Song , Tianqing Fang

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum