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Given the complexity of typical data science projects and the associated demand for human expertise, automation has the potential to transform the data science process. Key insights: * Automation in data science aims to facilitate and…

Science laboratory automation enables accelerated discovery in life sciences and materials. However, it requires interdisciplinary collaboration to address challenges such as robust and flexible autonomy, reproducibility, throughput,…

This two-part review examines how automation has contributed to different aspects of discovery in the chemical sciences. In this second part, we reflect on a selection of exemplary studies. It is increasingly important to articulate what…

Quantitative Methods · Quantitative Biology 2020-04-01 Connor W. Coley , Natalie S. Eyke , Klavs F. Jensen

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

This article explores the transformative impact of artificial intelligence (AI) on scientific research. It highlights ten ways in which AI is revolutionizing the work of scientists, including powerful referencing tools, improved…

General Literature · Computer Science 2023-07-21 César França

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

This two-part review examines how automation has contributed to different aspects of discovery in the chemical sciences. In this first part, we describe a classification for discoveries of physical matter (molecules, materials, devices),…

Quantitative Methods · Quantitative Biology 2020-04-01 Connor W. Coley , Natalie S. Eyke , Klavs F. Jensen

Academic challenges comprise effective means for (i) advancing the state of the art, (ii) putting in the spotlight of a scientific community specific topics and problems, as well as (iii) closing the gap for under represented communities in…

Machine Learning · Computer Science 2023-12-04 Hugo Jair Escalante , Aleksandra Kruchinina

Process automation is a crucial strategy for improving business processes, but little attention has been paid to the effects that automation has once it is operational. This paper addresses this research problem by reviewing the literature…

Software Engineering · Computer Science 2025-07-15 Hoang Vu , Jennifer Haase , Henrik Leopold , Jan Mendling

The emergence of "big data" offers unprecedented opportunities for not only accelerating scientific advances but also enabling new modes of discovery. Scientific progress in many disciplines is increasingly enabled by our ability to examine…

Computers and Society · Computer Science 2017-07-03 Vasant G. Honavar , Mark D. Hill , Katherine Yelick

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

This essay examines how automation has reconfigured mathematical proof and labor, and what might happen in the future. It discusses practical standards of proof, distinguishes between prominent forms of automation in research, provides…

History and Overview · Mathematics 2024-06-27 Rodrigo Ochigame

Data science is labor-intensive and human experts are scarce but heavily involved in every aspect of it. This makes data science time consuming and restricted to experts with the resulting quality heavily dependent on their experience and…

We present an expository overview of technical and cultural challenges to the development and adoption of automation at various stages in the data science prediction lifecycle, restricting focus to supervised learning with structured…

Machine Learning · Computer Science 2022-08-26 Nicholas Hoell

Organic chemistry is undergoing a major paradigm shift, moving from a labor-intensive approach to a new era dominated by automation and artificial intelligence (AI). This transformative shift is being driven by technological advances, the…

Artificial Intelligence · Computer Science 2023-12-05 Chengchun Liu , Yuntian Chen , Fanyang Mo

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

We discuss whether science is in the process of being transformed from a quest for causality to a quest for correlation in light of the recent development in artificial intelligence. We observe that while a blind trust in the most seductive…

Physics and Society · Physics 2026-01-06 Alex Hansen , Sauro Succi

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 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 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…

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