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Related papers: AI-driven materials design: a mini-review

200 papers

Background: To systematically review and perform a meta-analysis of artificial intelligence (AI)-driven methods for detecting and correcting magnetic resonance imaging (MRI) motion artifacts, assessing current developments, effectiveness,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-24 Mojtaba Safari , Zach Eidex , Richard L. J. Qiu , Matthew Goette , Tonghe Wang , Xiaofeng Yang

The discovery of advanced metallic alloys is hindered by vast composition spaces, competing property objectives, and real-world constraints on manufacturability. Here we introduce MATAI, a generalist machine learning framework for property…

Finding quantitative descriptors representing the microstructural features of a given material is an ongoing research area in the paradigm of Materials-by-Design. Historically, microstructural analysis mostly relies on qualitative…

Materials Science · Physics 2022-08-09 Khaled Alrfou , Amir Kordijazi , Tian Zhao

Generative AI (GenAI) models excel in their ability to recognize patterns in existing data and generate new and unexpected content. Recent advances have motivated applications of GenAI tools (e.g., Stable Diffusion, ChatGPT) to professional…

Human-Computer Interaction · Computer Science 2023-06-05 Matthew K. Hong , Shabnam Hakimi , Yan-Ying Chen , Heishiro Toyoda , Charlene Wu , Matt Klenk

Product take-back legislation forces manufacturers to bear the costs of collection and disposal of products that have reached the end of their useful lives. In order to reduce these costs, manufacturers can consider reuse, remanufacturing…

Artificial Intelligence · Computer Science 2010-12-21 Bo Xing , Wen-Jing Gao , Kimberly Battle , Tshildzi Marwala , Fulufhelo V. Nelwamondo

In machine learning and molecular design, there exist two approaches: discriminative and generative. In the discriminative approach dubbed forward design, the goal is to map a set of features/molecules to their respective electronics…

Chemical Physics · Physics 2019-04-24 Alain Tchagang , Julio Valdés

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…

The advent of computational statistical disciplines, such as machine learning, is leading to a paradigm shift in the way we conceive the design of new compounds. Today computational science does not only provide a sound understanding of…

Materials Science · Physics 2019-11-07 Alessandro Lunghi , Stefano Sanvito

Recognizing material from color images is still a challenging problem today. While deep neural networks provide very good results on object recognition and has been the topic of a huge amount of papers in the last decade, their adaptation…

Computer Vision and Pattern Recognition · Computer Science 2020-12-15 Alain Tremeau , Sixiang Xu , Damien Muselet

Machine learning, especially deep learning, is dramatically changing the methods associated with optical thin-film inverse design. The vast majority of this research has focused on the parameter optimization (layer thickness, and structure…

Machine Learning · Computer Science 2021-02-19 Anqing Jiang , Liangyao Chen , Osamu Yoshie

In the past few years, machine learning-based approaches have had some great success for rendering animated feature films. This survey summarizes several of the most dramatic improvements in using deep neural networks over traditional…

Graphics · Computer Science 2020-05-27 Shilin Zhu

Data-driven science is heralded as a new paradigm in materials science. In this field, data is the new resource, and knowledge is extracted from materials data sets that are too big or complex for traditional human reasoning - typically…

Computational Physics · Physics 2019-10-28 Lauri Himanen , Amber Geurts , Adam S. Foster , Patrick Rinke

Artificial intelligence (AI) is reshaping education, scientific training, and materials discovery. In materials science, AI models increasingly support property prediction, experiment prioritization, and hypothesis generation; however, the…

Physics Education · Physics 2026-05-12 Dongming Mei , Katherine Moore , Ben Sayler

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…

Materials Science · Physics 2026-05-27 Daniel Persaud , Logan Ward , Jason Hattrick-Simpers

In the scope of "AI for Science", solving inverse problems is a longstanding challenge in materials and drug discovery, where the goal is to determine the hidden structures given a set of desirable properties. Deep generative models are…

Machine Learning · Computer Science 2022-12-05 Jiaxin Zhang , Sirui Bi , Victor Fung

Nanophotonics has been an active research field over the past two decades, triggered by the rising interests in exploring new physics and technologies with light at the nanoscale. As the demands of performance and integration level keep…

Optics · Physics 2019-01-28 Kan Yao , Rohit Unni , Yuebing Zheng

Inverse design problems are common in engineering and materials science. The forward direction, i.e., computing output quantities from design parameters, typically requires running a numerical simulation, such as a FEM, as an intermediate…

Machine Learning · Computer Science 2026-02-18 Jens U. Kreber , Christian Weißenfels , Joerg Stueckler

Lightweight design, as a key approach to mitigate disparity between computational requirements of deep learning models and hardware performance, plays a pivotal role in advancing application of deep learning technologies on mobile and…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Hanhua Long , Wenbin Bi , Jian Sun

Composite materials often exhibit mechanical anisotropy owing to the material properties or geometrical configurations of the microstructure. This makes their inverse design a two-fold problem. First, we must learn the type and orientation…

Computational Engineering, Finance, and Science · Computer Science 2024-12-19 Asghar A. Jadoon , Karl A. Kalina , Manuel K. Rausch , Reese Jones , Jan N. Fuhg