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Because of the rapid development and increasing public availability of Generative Artificial Intelligence (GenAI) models and tools, educational institutions and educators must immediately reckon with the impact of students using GenAI.…

Generative Artificial Intelligence (AI) has shown tremendous prospects in all aspects of technology, including design. However, due to its heavy demand on resources, it is usually trained on large computing infrastructure and often made…

Artificial Intelligence · Computer Science 2024-02-27 Sai Krishna Revanth Vuruma , Ashley Margetts , Jianhai Su , Faez Ahmed , Biplav Srivastava

The advances and availability of technologies involving Generative Artificial Intelligence (AI) are evolving clearly and explicitly, driving immediate changes in various work activities. Software Engineering (SE) is no exception and stands…

This paper presents a critical analysis of generative Artificial Intelligence (AI) detection tools in higher education assessments. The rapid advancement and widespread adoption of generative AI, particularly in education, necessitates a…

Computers and Society · Computer Science 2024-01-02 Cesare G. Ardito

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…

Generative Artificial Intelligence (GenAI) applies models and algorithms such as Large Language Model (LLM) and Foundation Model (FM) to generate new data. GenAI, as a promising approach, enables advanced capabilities in various…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-25 Mozhgan Navardi , Romina Aalishah , Yuzhe Fu , Yueqian Lin , Hai Li , Yiran Chen , Tinoosh Mohsenin

Deep learning bears promise for drug discovery, including advanced image analysis, prediction of molecular structure and function, and automated generation of innovative chemical entities with bespoke properties. Despite the growing number…

Artificial Intelligence · Computer Science 2020-07-03 José Jiménez-Luna , Francesca Grisoni , Gisbert Schneider

Generative AI has the potential to transform knowledge work, but further research is needed to understand how knowledge workers envision using and interacting with generative AI. We investigate the development of generative AI tools to…

Deep Generative AI has been a long-standing essential topic in the machine learning community, which can impact a number of application areas like text generation and computer vision. The major paradigm to train a generative model is…

Machine Learning · Computer Science 2025-02-25 Yuanjiang Cao , Quan Z. Sheng , Julian McAuley , Lina Yao

There is an increasing need in our society to achieve faster advances in Science to tackle urgent problems, such as climate changes, environmental hazards, sustainable energy systems, pandemics, among others. In certain domains like…

This chapter presents methodological reflections on the necessity and utility of artificial intelligence in generative design. Specifically, the chapter discusses how generative design processes can be augmented by AI to deliver in terms of…

Artificial Intelligence · Computer Science 2023-10-16 Pirouz Nourian , Shervin Azadi , Roy Uijtendaal , Nan Bai

Artificial Neural Networks (ANN) are already heavily involved in methods and applications for frequent tasks in the field of computational chemistry such as representation of potential energy surfaces (PES) and spectroscopic predictions.…

Chemical Physics · Physics 2022-12-23 Silvan Käser , Luis Itza Vazquez-Salazar , Markus Meuwly , Kai Töpfer

This study looks at how generative artificial intelligence (AI) can revolutionize marketing, product development, and research. It discusses the latest developments in the field, easy-to-use resources, and moral and social hazards. In…

Artificial Intelligence · Computer Science 2023-11-23 Saad Shaikh , Rajat bendre , Sakshi Mhaske

Machine learning potentials have revolutionised the field of atomistic simulations in recent years and are becoming a mainstay in the toolbox of computational scientists. This paper aims to provide an overview and introduction into machine…

Chemical Physics · Physics 2024-10-02 Fabian L. Thiemann , Niamh O'Neill , Venkat Kapil , Angelos Michaelides , Christoph Schran

While generative artificial intelligence (generative AI) is being examined extensively, some issues it epitomizes call for more refined scrutiny and deeper contextualization. Besides the lack of nuanced understanding of art's continuously…

Computers and Society · Computer Science 2026-02-23 Dejan Grba

Growing awareness of the environmental impact of digital technologies has led to several isolated initiatives to promote sustainable practices. However, despite these efforts, the environmental footprint of generative AI, particularly in…

Computers and Society · Computer Science 2024-02-06 Thomas Le Goff

Generating molecules, both in a directed and undirected fashion, is a huge part of the drug discovery pipeline. Genetic algorithms (GAs) generate molecules by randomly modifying known molecules. In this paper we show that GAs are very…

Neural and Evolutionary Computing · Computer Science 2023-10-16 Austin Tripp , José Miguel Hernández-Lobato

In the ever-evolving landscape of Artificial Intelligence (AI), the synergy between generative AI and Software Engineering emerges as a transformative frontier. This whitepaper delves into the unexplored realm, elucidating how generative AI…

Artificial intelligence (AI) has been transforming the practice of drug discovery in the past decade. Various AI techniques have been used in a wide range of applications, such as virtual screening and drug design. In this survey, we first…

Machine Learning · Computer Science 2021-11-03 Jianyuan Deng , Zhibo Yang , Iwao Ojima , Dimitris Samaras , Fusheng Wang

After the release of several widely adopted artificial intelligence (AI) literacy guidelines by 2021, the unprecedented rise of generative AI since 2023 has transformed the way we work and acquire information worldwide. Unlike traditional…

Human-Computer Interaction · Computer Science 2025-10-21 Chengzhi Zhang , Brian Magerko