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Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

Even though superconductivity has been studied intensively for more than a century, the vast majority of superconductivity research today is carried out in nearly the same manner as decades ago. That is, each study tends to focus on only a…

Generative artificial intelligence (GenAI) is transforming education, redefining the role of trainers and coaches in learning environments. In our study, we explore how AI integrates into the design process of learning materials, assessing…

Computers and Society · Computer Science 2026-03-31 Alexander Komar , Marc-André Heidelmann , Kristina Schaaff

In the pursuit of novel catalyst development to address pressing environmental concerns and energy demand, conventional design and optimization methods often fall short due to the complexity and vastness of the catalyst parameter space. The…

Chemical Physics · Physics 2024-02-08 Nung Siong Lai , Yi Shen Tew , Xialin Zhong , Jun Yin , Jiali Li , Binhang Yan , Xiaonan Wang

This paper investigates the transformative potential of Generative AI (Gen-AI) technologies, particularly large language models, within the building industry. By leveraging these advanced AI tools, the study explores their application…

Artificial Intelligence · Computer Science 2025-05-13 Hanlong Wan , Jian Zhang , Yan Chen , Weili Xu , Fan Feng

Mechanical metamaterials enable precise control over structural properties, but their design method remains challenging due to their complex structure. Although additive manufacturing has expanded geometric freedom, navigating this vast and…

Soft Condensed Matter · Physics 2025-09-18 Kijung Kim , Seungwook Hong , Wonjun Jung , Wooseok Kim , Namjung Kim , Howon Lee

This paper explores the critical transition from Generative Artificial Intelligence (GenAI) to Innovative Artificial Intelligence (InAI). While recent advancements in GenAI have enabled systems to produce high-quality content across various…

Machine Learning · Computer Science 2025-03-17 Seyed Mahmoud Sajjadi Mohammadabadi

The field of deep generative modeling has grown rapidly in the last few years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models…

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

In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution,…

Materials Science · Physics 2023-09-27 Sue Sin Chong , Yi Sheng Ng , Hui-Qiong Wang , Jin-Cheng Zheng

With the rapid advancement of AI technologies, generative models have been increasingly employed in the exploration of novel materials. By integrating traditional computational approaches such as density functional theory (DFT) and…

Discovery of novel and promising materials is a critical challenge in the field of chemistry and material science, traditionally approached through methodologies ranging from trial-and-error to machine learning-driven inverse design. Recent…

Machine Learning · Computer Science 2024-12-13 Dong Hyeon Mok , Seoin Back

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…

Materials Science · Physics 2025-03-25 Balduin Katzer , Steffen Klinder , Katrin Schulz

Recent advances in generative artificial intelligence (AI) technologies have been significantly driven by models such as generative adversarial networks (GANs), variational autoencoders (VAEs), and denoising diffusion probabilistic models…

Machine Learning · Computer Science 2024-10-24 Chengyuan Li , Tianyu Zhang , Xusheng Du , Ye Zhang , Haoran Xie

Generative Artificial Intelligence (Generative AI) is a collection of AI technologies that can generate new information such as texts and images. With its strong capabilities, Generative AI has been actively studied in creative design…

Human-Computer Interaction · Computer Science 2025-02-04 Liuging Chen , Yaxuan Song , Jia Guo , Lingyun Sun , Peter Childs , Yuan Yin

Two dimensional (2D) materials have emerged as promising functional materials with many applications such as semiconductors and photovoltaics because of their unique optoelectronic properties. While several thousand 2D materials have been…

Materials Science · Physics 2020-12-18 Yuqi Song , Edirisuriya M. Dilanga Siriwardane , Yong Zhao , Jianjun Hu

The advent of Large Language Models (LLMs) and generative AI is fundamentally transforming information retrieval and processing on the Internet, bringing both great potential and significant concerns regarding content authenticity and…

Information Retrieval · Computer Science 2026-02-12 Michele Garetto , Alessandro Cornacchia , Franco Galante , Emilio Leonardi , Alessandro Nordio , Alberto Tarable

Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…

Materials Science · Physics 2018-05-17 Cormac Toher , Corey Oses , Stefano Curtarolo

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this…

Computation and Language · Computer Science 2025-02-11 Shrinidhi Kumbhar , Venkatesh Mishra , Kevin Coutinho , Divij Handa , Ashif Iquebal , Chitta Baral

Propelled by their remarkable capabilities to generate novel and engaging content, Generative Artificial Intelligence (GenAI) technologies are disrupting traditional workflows in many industries. While prior research has examined GenAI from…

Human-Computer Interaction · Computer Science 2024-04-08 Yuan Sun , Eunchae Jang , Fenglong Ma , Ting Wang