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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…

This paper presents an approach proposed for the Science4cast 2021 competition, organized by the Institute of Advanced Research in Artificial Intelligence, whose main goal was to predict the likelihood of future associations between machine…

Social and Information Networks · Computer Science 2022-02-08 Francisco Valente

The Science4cast 2021 competition focuses on predicting future edges in an evolving semantic network, where each vertex represents an artificial intelligence concept, and an edge between a pair of vertices denotes that the two concepts have…

Social and Information Networks · Computer Science 2022-01-19 Yichao Lu

Artificial Intelligence has proven to be a transformative tool for advancing scientific research across a wide range of disciplines. However, a significant gap still exists between AI and scientific communities, limiting the full potential…

Artificial Intelligence · Computer Science 2025-02-19 Yutong Xie , Yijun Pan , Hua Xu , Qiaozhu Mei

Predicting the emergence of links in large evolving networks is a difficult task with many practical applications. Recently, the Science4cast competition has illustrated this challenge presenting a network of 64.000 AI concepts and asking…

Social and Information Networks · Computer Science 2022-01-26 Francisco Andrades , Ricardo Ñanculef

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

Can AI systems trained on the scientific record up to a fixed point in time forecast the scientific advances that follow? Such a capability could help researchers identify collaborators and impactful research directions, and anticipate…

The ongoing artificial intelligence (AI) revolution has the potential to change almost every line of work. As AI capabilities continue to improve in accuracy, robustness, and reach, AI may outperform and even replace human experts across…

Digital Libraries · Computer Science 2024-06-04 Jian Gao , Dashun Wang

Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs) such as OpenAI-o1 and DeepSeek-R1, have demonstrated remarkable capabilities in complex domains such as logical reasoning and experimental…

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

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

Artificial intelligence (AI) models trained on published scientific findings have been used to invent valuable materials and targeted therapies, but they typically ignore the human scientists who continually alter the landscape of…

Artificial Intelligence · Computer Science 2023-06-05 Jamshid Sourati , James Evans

The potential of AI researchers in scientific discovery remains largely untapped. Over the past decade, AI for Science (AI4Science) publications in 145 Nature Index journals have increased fifteen-fold, yet they still account for less than…

Computers and Society · Computer Science 2025-09-24 Hengjie Yu , Shuya Liu , Haiyun Yang , Yuping Yan , Maozhen Qu , Yaochu Jin

The exponential growth in scientific publications poses a severe challenge for human researchers. It forces attention to more narrow sub-fields, which makes it challenging to discover new impactful research ideas and collaborations outside…

Digital Libraries · Computer Science 2025-06-12 Xuemei Gu , Mario Krenn

We report on a model built to predict links in a complex network of scientific concepts, in the context of the Science4Cast 2021 competition. We show that the network heavily favours linking nodes of high degree, indicating that new…

Social and Information Networks · Computer Science 2022-01-21 Joao P. Moutinho , Bruno Coutinho , Lorenzo Buffoni

Artificial intelligence (AI) raises expectations of substantial increases in rates of technological and scientific progress, but such anticipations are often not connected to detailed ground-level studies of AI use in innovation processes.…

Computers and Society · Computer Science 2025-11-21 John P. Nelson , Olajide Olugbade , Philip Shapira , Justin B. Biddle

The Science of Science (SoS) explores the mechanisms underlying scientific discovery, and offers valuable insights for enhancing scientific efficiency and fostering innovation. Traditional approaches often rely on simplistic assumptions and…

Artificial Intelligence · Computer Science 2025-05-20 Renqi Chen , Haoyang Su , Shixiang Tang , Zhenfei Yin , Qi Wu , Hui Li , Ye Sun , Nanqing Dong , Wanli Ouyang , Philip Torr

Although artificial intelligence (AI) has achieved many feats at a rapid pace, there still exist open problems and fundamental shortcomings related to performance and resource efficiency. Since AI researchers benchmark a significant…

Artificial Intelligence · Computer Science 2023-10-16 Palaash Agrawal , Cheston Tan , Heena Rathore

Artificial Intelligence (AI) is a fast-growing research and development (R&D) discipline which is attracting increasing attention because of its promises to bring vast benefits for consumers and businesses, with considerable benefits…

Artificial Intelligence · Computer Science 2022-05-10 Zhenghua Chen , Min Wu , Alvin Chan , Xiaoli Li , Yew-Soon Ong

Data-driven artificial intelligence models fed with published scientific findings have been used to create powerful prediction engines for scientific and technological advance, such as the discovery of novel materials with desired…

Artificial Intelligence · Computer Science 2021-04-13 Jamshid Sourati , James Evans
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