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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

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,…

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 rapid evolution of artificial intelligence has led to expectations of transformative impact on science, yet current systems remain fundamentally limited in enabling genuine scientific discovery. This perspective contends that progress…

Artificial Intelligence · Computer Science 2025-12-16 Karthik Duraisamy

Artificial intelligence (AI) is transforming the practice of science. Machine learning and large language models (LLMs) can generate hypotheses at a scale and speed far exceeding traditional methods, offering the potential to accelerate…

Artificial Intelligence · Computer Science 2025-12-18 Cristina Cornelio , Takuya Ito , Ryan Cory-Wright , Sanjeeb Dash , Lior Horesh

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

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

Artificial intelligence (AI) is being increasingly applied to scientific research, but its benefits remain unevenly distributed across different communities and disciplines. While technical challenges such as limited data, fragmented…

Machine Learning · Computer Science 2026-03-17 Georgia Channing , Avijit Ghosh

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

Recent years have seen the dramatic rise of the usage of AI algorithms in pure mathematics and fundamental sciences such as theoretical physics. This is perhaps counter-intuitive since mathematical sciences require the rigorous definitions,…

History and Overview · Mathematics 2024-08-07 Yang-Hui He

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

In recent decades the set of knowledge, tools and practices, collectively referred to as "artificial intelligence" (AI), have become a mainstay of scientific research. Artificial intelligence techniques have not only developed enormously…

Physics and Society · Physics 2022-12-26 Floriana Gargiulo , Sylvain Fontaine , Michel Dubois , Paola Tubaro

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…

Artificial Intelligence (AI) is becoming ubiquitous in domains such as medicine and natural science research. However, when AI systems are implemented in practice, domain experts often refuse them. Low acceptance hinders effective human-AI…

Human-Computer Interaction · Computer Science 2024-03-26 Auste Simkute , Ewa Luger , Michael Evans , Rhianne Jones

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

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…

Scientific research is being reshaped by AI systems that move beyond isolated assistance toward longer-horizon workflows spanning literature grounding, hypothesis generation, experimentation, validation, reporting, and revision. This shift…

With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. An emerging ecosystem of models and tools aims to support researchers throughout the scientific lifecycle,…

We investigate whether modern AI can emulate expert creativity in complex scientific endeavors. We introduce novel methodology that utilizes original research articles published after the AI's training cutoff, ensuring no prior exposure,…

Artificial Intelligence · Computer Science 2024-04-09 Anirban Mukherjee , Hannah Hanwen Chang

Deriving governing equations from empirical observations is a longstanding challenge in science. Although artificial intelligence (AI) has demonstrated substantial capabilities in function approximation, the discovery of explainable and…

Artificial Intelligence · Computer Science 2026-05-01 Gyoung S. Na , Chanyoung Park
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