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Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to…

Machine Learning · Computer Science 2020-06-09 Daniel Schwalbe-Koda , Rafael Gómez-Bombarelli

Advances in generative artificial intelligence are transforming how metal-organic frameworks (MOFs) are designed and discovered. This Perspective introduces the shift from laborious enumeration of MOF candidates to generative approaches…

Generative Artificial Intelligence (AI), such as large language models (LLMs), has become a transformative force across science, industry, and society. As these systems grow in popularity, web data becomes increasingly interwoven with this…

Machine Learning · Computer Science 2026-02-19 Kevin Wang , Hongqian Niu , Didong Li

Generative AI models, including large language models and multimodal models that include text and other media, are on the cusp of transforming many aspects of modern life, including entertainment, education, civic life, the arts, and a…

Computers and Society · Computer Science 2023-04-05 Meredith Ringel Morris

Artificial intelligence (AI)-driven methods can vastly improve the historically costly drug design process, with various generative models already in widespread use. Generative models for de novo drug design, in particular, focus on the…

Biomolecules · Quantitative Biology 2024-06-27 Xiangru Tang , Howard Dai , Elizabeth Knight , Fang Wu , Yunyang Li , Tianxiao Li , Mark Gerstein

Generative AI (GenAI) is rapidly advancing the field of Autonomous Driving (AD), extending beyond traditional applications in text, image, and video generation. We explore how generative models can enhance automotive tasks, such as static…

The continuing, explosive developments in generative artificial intelligence (GenAI), built on large language models and related algorithms, has led to much excitement and speculation about the potential impact of this new technology.…

Computers and Society · Computer Science 2025-03-11 Veda C. Storey , Wei Thoo Yue , J. Leon Zhao , Roman Lukyanenko

Generative AI models are capable of performing a wide variety of tasks that have traditionally required creativity and human understanding. During training, they learn patterns from existing data and can subsequently generate new content…

This paper investigates current software testing systems and explores how artificial intelligence, specifically Generative AI, can be integrated to enhance these systems. It begins by examining different types of AI systems and focuses on…

Software Engineering · Computer Science 2026-03-03 Tanish Singla , Qusay H. Mahmoud

The field of engineering is shaped by the tools and methods used to solve problems. Optimization is one such class of powerful, robust, and effective engineering tools proven over decades of use. Within just a few years, generative…

Computational Engineering, Finance, and Science · Computer Science 2025-12-02 Lyle Regenwetter , Cyril Picard , Amin Heyrani Nobari , Akash Srivastava , Faez Ahmed

Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this…

The dawn of Generative Artificial Intelligence (GAI), characterized by advanced models such as Generative Pre-trained Transformers (GPT) and other Large Language Models (LLMs), has been pivotal in reshaping the field of data analysis,…

Cryptography and Security · Computer Science 2024-05-06 Shivani Metta , Isaac Chang , Jack Parker , Michael P. Roman , Arturo F. Ehuan

Generative AI (GenAI) is transforming filmmaking, equipping artists with tools like text-to-image and image-to-video diffusion, neural radiance fields, avatar generation, and 3D synthesis. This paper examines the adoption of these…

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

Machine vision enhances automation, quality control, and operational efficiency in industrial applications by enabling machines to interpret and act on visual data. While traditional computer vision algorithms and approaches remain widely…

Agentic Artificial Intelligence (AI) builds upon Generative AI (GenAI). It constitutes the next major step in the evolution of AI with much stronger reasoning and interaction capabilities that enable more autonomous behavior to tackle…

Artificial Intelligence · Computer Science 2025-04-29 Johannes Schneider

Generative artificial intelligence (AI) has revolutionized the field of computational social science (CSS), unleashing new possibilities for collecting and analyzing multimodal data, especially for scholars who may not have extensive…

Human-Computer Interaction · Computer Science 2025-04-29 Yongjun Zhang

Generative AI models are increasingly being integrated into human task workflows, enabling the production of expressive content across a wide range of contexts. Unlike traditional human-AI design methods, the new approach to designing…

Human-Computer Interaction · Computer Science 2025-04-01 Hari Subramonyam , Divy Thakkar , Andrew Ku , Jürgen Dieber , Anoop Sinha

The development of automated experimental facilities and the digitization of experimental data have introduced numerous opportunities to radically advance chemical laboratories. As many laboratory tasks involve predicting and understanding…

Artificial Intelligence (AI), especially AI agents, is increasingly being applied to chemistry, healthcare, and manufacturing to enhance productivity. In this review, we discuss the progress of AI and agentic AI in areas related to, and…