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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

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…

Machine Learning · Computer Science 2024-12-24 Chandan K Reddy , Parshin Shojaee

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show…

Artificial Intelligence · Computer Science 2025-09-15 Woong Shin , Renan Souza , Daniel Rosendo , Frédéric Suter , Feiyi Wang , Prasanna Balaprakash , Rafael Ferreira da Silva

AI scientists powered by large language models have demonstrated substantial promise in autonomously conducting experiments and facilitating scientific discoveries across various disciplines. While their capabilities are promising, these…

We report a case study of four end-to-end attempts to autonomously generate ML research papers using a pipeline of six LLM agents mapped to stages of the scientific workflow. Of these four, three attempts failed during implementation or…

Machine Learning · Computer Science 2026-01-08 Dhruv Trehan , Paras Chopra

We envision "AI scientists" as systems capable of skeptical learning and reasoning that empower biomedical research through collaborative agents that integrate AI models and biomedical tools with experimental platforms. Rather than taking…

The emergence of Artificial Intelligence (AI) Scientist represents a paradigm shift in scientific discovery, with large language models (LLMs) taking the lead as the primary executor in the entire scientific workflow from idea generation to…

Artificial Intelligence · Computer Science 2025-06-10 Minjun Zhu , Qiujie Xie , Yixuan Weng , Jian Wu , Zhen Lin , Linyi Yang , Yue Zhang

Agentic AI systems powered by large language models (LLMs) and endowed with planning, tool use, memory, and autonomy, are emerging as powerful, flexible platforms for automation. Their ability to autonomously execute tasks across web,…

Artificial Intelligence · Computer Science 2026-04-07 Anshuman Chhabra , Shrestha Datta , Shahriar Kabir Nahin , Prasant Mohapatra

Data science plays a critical role in transforming complex data into actionable insights across numerous domains. Recent developments in large language models (LLMs) have significantly automated data science workflows, but a fundamental…

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous systems, referred to as agents, that accelerate discovery…

LLM-based agents are rapidly being adopted for scientific data analysis, automating tasks once limited by human time and expertise. This capability is often framed as an acceleration of discovery, but it also accelerates a familiar failure…

Artificial Intelligence · Computer Science 2026-05-21 Dionizije Fa , Marko Culjak

With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are…

We analyze the challenges of benchmarking scientific (multi)-agentic systems, including the difficulty of distinguishing reasoning from retrieval, the risks of data/model contamination, the lack of reliable ground truth for novel research…

Computers and Society · Computer Science 2026-04-07 Marcin Abram

Artificial Intelligence (AI), especially AI agents, is increasingly being applied to chemistry, healthcare, and manufacturing to enhance productivity. In this review, we discuss the progress of AI and agentic AI in areas related to, and…

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

A suite of impressive scientific discoveries have been driven by recent advances in artificial intelligence. These almost all result from training flexible algorithms to solve difficult optimization problems specified in advance by teams of…

Artificial Intelligence · Computer Science 2024-12-18 Ruairidh M. Battleday , Samuel J. Gershman

Scientific discovery is often slowed by the manual development of computational tools needed to analyze complex experimental data. Building such tools is costly and time-consuming because scientists must iteratively review literature, test…

Artificial Intelligence · Computer Science 2026-05-19 Alistair Turcan , Kexin Huang , Lei Li , Martin Jinye Zhang

The endowment of AI with reasoning capabilities and some degree of agency is widely viewed as a path toward more capable and generalizable systems. Our position is that the current development of agentic AI requires a more holistic,…

The leading AI companies are increasingly focused on building generalist AI agents -- systems that can autonomously plan, act, and pursue goals across almost all tasks that humans can perform. Despite how useful these systems might be,…

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