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The process of developing theories and models and testing them with experiments is fundamental to the scientific method. Automating the entire scientific method then requires not only automation of the induction of theories from data, but…

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…

The scientific research paradigm is undergoing a profound transformation owing to the development of Artificial Intelligence (AI). Recent works demonstrate that various AI-assisted research methods can largely improve research efficiency by…

Artificial Intelligence · Computer Science 2025-04-10 Jiakang Yuan , Xiangchao Yan , Shiyang Feng , Bo Zhang , Tao Chen , Botian Shi , Wanli Ouyang , Yu Qiao , Lei Bai , Bowen Zhou

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…

Continual learning, the ability to acquire and transfer knowledge through a models lifetime, is critical for artificial agents that interact in real-world environments. Biological brains inherently demonstrate these capabilities while…

Neural and Evolutionary Computing · Computer Science 2025-09-09 Vedant Karia , Abdullah Zyarah , Dhireesha Kudithipudi

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

Cellular research and development (R&D) is throttled by six structural processes that each consume months of manual engineering work per iteration: (i) synthesizing new features from standards or research papers into production code; (ii)…

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a…

Data-driven scientific discovery requires iterative cycles of literature search, hypothesis generation, and data analysis. Substantial progress has been made towards AI agents that can automate scientific research, but all such agents…

Artificial intelligence systems are transforming scientific discovery by accelerating specific research tasks, from protein structure prediction to materials design, yet remain confined to narrow domains requiring substantial human…

Artificial Intelligence · Computer Science 2026-01-30 Gabrielle Wehr , Reuben Rideaux , Amaya J. Fox , David R. Lightfoot , Jason Tangen , Jason B. Mattingley , Shane E. Ehrhardt

The paper surveys automated scientific discovery, from equation discovery and symbolic regression to autonomous discovery systems and agents. It discusses the individual approaches from a "big picture" perspective and in context, but also…

Artificial Intelligence · Computer Science 2026-05-01 Stefan Kramer , Mattia Cerrato , Jannis Brugger , Sašo Džeroski , Ross King

Optimism for accelerating scientific discovery with AI continues to grow. Current applications of AI in scientific research range from training dedicated foundation models on scientific data to agentic autonomous hypothesis generation…

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

While artificial intelligence (AI) has become widespread, many commercial AI systems are not yet accessible to individual researchers nor the general public due to the deep knowledge of the systems required to use them. We believe that AI…

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across…

Artificial Intelligence · Computer Science 2023-10-13 Shuaiwen Leon Song , Bonnie Kruft , Minjia Zhang , Conglong Li , Shiyang Chen , Chengming Zhang , Masahiro Tanaka , Xiaoxia Wu , Jeff Rasley , Ammar Ahmad Awan , Connor Holmes , Martin Cai , Adam Ghanem , Zhongzhu Zhou , Yuxiong He , Pete Luferenko , Divya Kumar , Jonathan Weyn , Ruixiong Zhang , Sylwester Klocek , Volodymyr Vragov , Mohammed AlQuraishi , Gustaf Ahdritz , Christina Floristean , Cristina Negri , Rao Kotamarthi , Venkatram Vishwanath , Arvind Ramanathan , Sam Foreman , Kyle Hippe , Troy Arcomano , Romit Maulik , Maxim Zvyagin , Alexander Brace , Bin Zhang , Cindy Orozco Bohorquez , Austin Clyde , Bharat Kale , Danilo Perez-Rivera , Heng Ma , Carla M. Mann , Michael Irvin , J. Gregory Pauloski , Logan Ward , Valerie Hayot , Murali Emani , Zhen Xie , Diangen Lin , Maulik Shukla , Ian Foster , James J. Davis , Michael E. Papka , Thomas Brettin , Prasanna Balaprakash , Gina Tourassi , John Gounley , Heidi Hanson , Thomas E Potok , Massimiliano Lupo Pasini , Kate Evans , Dan Lu , Dalton Lunga , Junqi Yin , Sajal Dash , Feiyi Wang , Mallikarjun Shankar , Isaac Lyngaas , Xiao Wang , Guojing Cong , Pei Zhang , Ming Fan , Siyan Liu , Adolfy Hoisie , Shinjae Yoo , Yihui Ren , William Tang , Kyle Felker , Alexey Svyatkovskiy , Hang Liu , Ashwin Aji , Angela Dalton , Michael Schulte , Karl Schulz , Yuntian Deng , Weili Nie , Josh Romero , Christian Dallago , Arash Vahdat , Chaowei Xiao , Thomas Gibbs , Anima Anandkumar , Rick Stevens

Transfer learning from natural images to medical images has been established as one of the most practical paradigms in deep learning for medical image analysis. To fit this paradigm, however, 3D imaging tasks in the most prominent imaging…

Computer Vision and Pattern Recognition · Computer Science 2020-12-18 Zongwei Zhou , Vatsal Sodha , Jiaxuan Pang , Michael B. Gotway , Jianming Liang

The convergence of artificial intelligence (AI) and synthetic biology is rapidly accelerating the pace of biological discovery and engineering. AI techniques, such as large language models and biological design tools, are enabling the…

Other Quantitative Biology · Quantitative Biology 2024-05-01 Cindy Vindman , Benjamin Trump , Christopher Cummings , Madison Smith , Alexander J. Titus , Ken Oye , Valentina Prado , Eyup Turmus , Igor Linkov

Recent advances in large language models (LLMs) have opened new avenues for accelerating scientific research. While models are increasingly capable of assisting with routine tasks, their ability to contribute to novel, expert-level…

Scientific discovery has long been constrained by human limitations in expertise, physical capability, and sleep cycles. The recent rise of AI scientists and automated laboratories has accelerated both the cognitive and operational aspects…

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