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Reliable artificial-intelligence models have the potential to accelerate the discovery of materials with optimal properties for various applications, including superconductivity, catalysis, and thermoelectricity. Advancements in this field…

Materials Science · Physics 2023-06-07 Thomas A. R. Purcell , Matthias Scheffler , Luca M. Ghiringhelli , Christian Carbogno

Discovering new physical products and processes often demands enormous experimentation and expensive simulation. To design a new product with certain target characteristics, an extensive search is performed in the design space by trying out…

Machine Learning · Statistics 2018-11-16 Phuoc Nguyen , Truyen Tran , Sunil Gupta , Santu Rana , Svetha Venkatesh

Artificial intelligence (AI), machine learning, and deep learning have become transformative forces in big data analytics and management, enabling groundbreaking advancements across diverse industries. This article delves into the…

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…

The chapter discusses the foundational impact of modern generative AI models on information access (IA) systems. In contrast to traditional AI, the large-scale training and superior data modeling of generative AI models enable them to…

Information Retrieval · Computer Science 2025-01-07 Qingyao Ai , Jingtao Zhan , Yiqun Liu

Generative artificial intelligence (GenAI) can rapidly produce large and diverse volumes of content. This lends to it a quality of creativity which can be empowering in the early stages of design. In seeking to understand how creative ways…

Human-Computer Interaction · Computer Science 2024-03-20 Gionnieve Lim , Simon T. Perrault

Many environmental remediation and energy applications (conversion and storage) for sustainability need design and development of green novel materials. Discovery processes of such novel materials are time taking and cumbersome due to large…

Materials Science · Physics 2023-11-21 Sudarson Roy Pratihar , Deepesh Pai , Manaswita Nag

The proliferation of AI-generated media poses significant challenges to information authenticity and social trust, making reliable detection methods highly demanded. Methods for detecting AI-generated media have evolved rapidly, paralleling…

Computer Vision and Pattern Recognition · Computer Science 2025-02-13 Yueying Zou , Peipei Li , Zekun Li , Huaibo Huang , Xing Cui , Xuannan Liu , Chenghanyu Zhang , Ran He

Characterizing materials with electron micrographs poses significant challenges for automated labeling due to the complex nature of nanomaterial structures. To address this, we introduce a fully automated, end-to-end pipeline that leverages…

Computer Vision and Pattern Recognition · Computer Science 2024-09-20 Sakhinana Sagar Srinivas , Geethan Sannidhi , Sreeja Gangasani , Chidaksh Ravuru , Venkataramana Runkana

Generative AI presents chemists with novel ideas for drug design and facilitates the exploration of vast chemical spaces. Diffusion models (DMs), an emerging tool, have recently attracted great attention in drug R\&D. This paper…

Biomolecules · Quantitative Biology 2025-07-14 Peining Zhang , Daniel Baker , Minghu Song , Jinbo Bi

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

The need for innovative ideas in data visualisation drives us to explore new creative approaches. Combining two or more creative words, particularly those that contradict each other, can positively impact the creative process, sparking…

Human-Computer Interaction · Computer Science 2024-09-05 Aron E. Owen , Jonathan C. Roberts

Generative artificial intelligence (Gen AI) systems represent a critical technology with far-reaching implications across multiple domains of society. However, their deployment entails a range of risks and challenges that require careful…

Computers and Society · Computer Science 2025-10-31 Jorge Machado

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

Thinking of technology as a design material is appealing. It encourages designers to explore the material's properties to understand its capabilities and limitations, a prerequisite to generative design thinking. However, as a material, AI…

Human-Computer Interaction · Computer Science 2021-05-07 Hariharan Subramonyam , Colleen Seifert , Eytan Adar

This paper aims to explore a generative approach for knowledge-based design ideation by applying the latest pre-trained language models in artificial intelligence (AI). Specifically, a method of fine-tuning the generative pre-trained…

Computation and Language · Computer Science 2022-04-21 Qihao Zhu , Jianxi Luo

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly…

Generative AI models have revolutionized various fields by enabling the creation of realistic and diverse data samples. Among these models, diffusion models have emerged as a powerful approach for generating high-quality images, text, and…

Computer Vision and Pattern Recognition · Computer Science 2024-02-27 Gaurav Raut , Apoorv Singh

Automated design synthesis has the potential to revolutionize the modern engineering design process and improve access to highly optimized and customized products across countless industries. Successfully adapting generative Machine…

Machine Learning · Computer Science 2022-03-18 Lyle Regenwetter , Amin Heyrani Nobari , Faez Ahmed

The discovery of novel superconducting materials is a longstanding challenge in materials science, with a wealth of potential for applications in energy, transportation, and computing. Recent advances in artificial intelligence (AI) have…

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