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Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and…

Artificial Intelligence · Computer Science 2023-12-20 Mehrad Ansari , Seyed Mohamad Moosavi

Machine learning has long since become a keystone technology, accelerating science and applications in a broad range of domains. Consequently, the notion of applying learning methods to a particular problem set has become an established and…

Artificial intelligence (AI) algorithms using deep learning have advanced the classification of skin disease images; however these algorithms have been mostly applied "in silico" and not validated clinically. Most dermatology AI algorithms…

Computer Vision and Pattern Recognition · Computer Science 2021-05-24 Roxana Daneshjou , Carrie Kovarik , Justin M Ko

Artificial intelligence (AI) is an extensive scientific discipline which enables computer systems to solve problems by emulating complex biological processes such as learning, reasoning and self-correction. This paper presents a…

Artificial Intelligence · Computer Science 2018-01-16 Javier Mata , Ignacio de Miguel , Ramó n J. Durá n , Noemí Merayo , Sandeep Kumar Singh , Admela Jukan , Mohit Chamania

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Artificial Intelligence · Computer Science 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi

Artificial intelligence is transforming molecular and materials science, but its growing computational and data demands raise critical sustainability challenges. In this Perspective, we examine resource considerations across the AI-driven…

The field of AI is undergoing a fundamental transition from generative models that can produce synthetic content to artificial agents that can plan and execute complex tasks with only limited human involvement. Companies that pioneered the…

Artificial Intelligence · Computer Science 2025-02-12 Noam Kolt

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

Artificial intelligence and machine learning are poised to disrupt PET imaging from bench to clinic. In this perspective we offer insights into how the technology could be applied to improve the design and synthesis of new…

Machine Learning · Computer Science 2021-08-09 E. William Webb , Peter J. H. Scott

Foundation models, including large language models (LLMs) and vision-language models (VLMs), have recently enabled novel approaches to robot autonomy and human-robot interfaces. In parallel, vision-language-action models (VLAs) or large…

The emergence of agentic Artificial Intelligence (AI), which can operate autonomously, demonstrate goal-directed behavior, and adaptively learn, indicates the onset of a massive change in today's computing infrastructure. This study…

Emerging Technologies · Computer Science 2025-09-23 Nauman Ali Murad , Safia Baloch

Traditional drug discovery is a long, expensive, and complex process. Advances in Artificial Intelligence (AI) and Machine Learning (ML) are beginning to change this narrative. Here, we provide a comprehensive overview of different AI and…

Artificial Intelligence · Computer Science 2024-11-12 Khartik Uppalapati , Eeshan Dandamudi , S. Nick Ice , Gaurav Chandra , Kirsten Bischof , Christian L. Lorson , Kamal Singh

Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high…

Artificial Intelligence · Computer Science 2022-02-16 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

The emergence of agentic artificial intelligence (AI) represents a fundamental transformation in financial markets, characterized by autonomous systems capable of reasoning, planning, and adaptive decision-making with minimal human…

In light of the recent convergence between Agentic AI and our field of Algorithmization, this paper seeks to restore conceptual clarity and provide a structured analytical framework for an increasingly fragmented discourse. First, (a) it…

Theoretical Economics · Economics 2026-03-26 Sergio Alvarez-Telena , Marta Diez-Fernandez

The emergence of large language models has catalyzed two distinct yet interconnected paradigms in artificial intelligence: standalone AI Agents and collaborative Agentic AI ecosystems. This comprehensive study establishes a definitive…

Artificial Intelligence · Computer Science 2025-06-17 Prashik Buddhaghosh Bansod

Drug addiction is a complex and pervasive global challenge that continues to pose significant public health concerns. Traditional approaches to anti-addiction drug discovery have struggled to deliver effective therapeutics, facing high…

Biomolecules · Quantitative Biology 2025-02-11 Dong Chen , Jian Jiang , Zhe Su , Guo-Wei Wei

Artificial intelligence is reshaping scientific discovery, yet its use in materials research remains limited by fragmented computational ecosystems, reproducibility challenges, and dependence on commercial large language models (LLMs). Here…

Artificial Intelligence · Computer Science 2025-12-16 Jaehyung Lee , Justin Ely , Kent Zhang , Akshaya Ajith , Charles Rhys Campbell , Kamal Choudhary

Experiential AI is presented as a research agenda in which scientists and artists come together to investigate the entanglements between humans and machines, and an approach to human-machine learning and development where knowledge is…

Computers and Society · Computer Science 2023-06-02 Drew Hemment , Dave Murray-Rust , Vaishak Belle , Ruth Aylett , Matjaz Vidmar , Frank Broz

This paper examines how pharmaceutical Artificial Intelligence advancements may affect the development of new drugs in the coming years. The question was answered by reviewing a rich body of source material, including industry literature,…

Computers and Society · Computer Science 2021-07-09 Adam Zielinski