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Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal…

Machine Learning · Computer Science 2024-11-14 Janghoon Ock , Joseph Montoya , Daniel Schweigert , Linda Hung , Santosh K. Suram , Weike Ye

Metal additive manufacturing enables unprecedented design freedom and the production of customized, complex components. However, the rapid melting and solidification dynamics inherent to metal AM processes generate heterogeneous,…

Machine Learning · Computer Science 2025-05-05 D. Patel , R. Sharma , Y. B. Guo

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

Modern materials science generates vast and diverse datasets from both experiments and computations, yet these multi-source, heterogeneous data often remain disconnected in isolated "silos". Here, we introduce MaterialsGalaxy, a…

Materials Science · Physics 2025-11-03 Tiannian Zhu , Zhong Fang , Quansheng Wu , Hongming Weng

As data-driven methods rise in popularity in materials science applications, a key question is how these machine learning models can be used to understand microstructure. Given the importance of process-structure-property relations…

Artificial Intelligence · Computer Science 2017-11-02 Julia Ling , Maxwell Hutchinson , Erin Antono , Brian DeCost , Elizabeth A. Holm , Bryce Meredig

Continual learning--the ability to acquire, retain, and refine knowledge over time--has always been fundamental to intelligence, both human and artificial. Historically, different AI paradigms have acknowledged this need, albeit with…

Machine Learning · Computer Science 2025-06-05 Jack Bell , Luigi Quarantiello , Eric Nuertey Coleman , Lanpei Li , Malio Li , Mauro Madeddu , Elia Piccoli , Vincenzo Lomonaco

Machine learning approaches, enabled by the emergence of comprehensive databases of materials properties, are becoming a fruitful direction for materials analysis. As a result, a plethora of models have been constructed and trained on…

Foundation models (FMs) are general-purpose artificial intelligence (AI) models that have recently enabled multiple brand-new generative AI applications. The rapid advances in FMs serve as an important contextual backdrop for the vision of…

Networking and Internet Architecture · Computer Science 2024-05-08 Zihan Chen , Howard H. Yang , Y. C. Tay , Kai Fong Ernest Chong , Tony Q. S. Quek

Quantitative remote sensing inversion aims to estimate continuous surface variables-such as biomass, vegetation indices, and evapotranspiration-from satellite observations, supporting applications in ecosystem monitoring, carbon accounting,…

Computer Vision and Pattern Recognition · Computer Science 2025-07-15 Zhenyu Yu , Mohd Yamani Idna Idris , Hua Wang , Pei Wang , Junyi Chen , Kun Wang

As in many other fields, the rapid rise of generative artificial intelligence is reshaping materials discovery by offering new ways to propose crystal structures and, in some cases, even predict desired properties. This review provides a…

Experimental materials science is experiencing significant growth due to automated experimentation and AI techniques. Integrated autonomous platforms are emerging, combining generative models, robotics, simulations, and automated systems…

Software Engineering · Computer Science 2024-05-31 Amarnath Gupta , Shweta Purawat , Subhasis Dasgupta , Pratyush Karmakar , Elaine Chi , Ilkay Altintas

Cutting-edge research in Artificial Intelligence (AI) requires considerable resources, including Graphics Processing Units (GPUs), data, and human resources. In this paper, we evaluate of the relationship between these resources and the…

The 3D microstructure of porous media, such as electrodes in lithium-ion batteries or fiber-based materials, significantly impacts the resulting macroscopic properties, including effective diffusivity or permeability. Consequently,…

Advances in material functionalities drive innovations across various fields, where metamaterials-defined by structure rather than composition-are leading the way. Despite the rise of artificial intelligence (AI)-driven design strategies,…

Computational Engineering, Finance, and Science · Computer Science 2025-09-03 Namjung Kim , Dongseok Lee , Jongbin Yu , Sung Woong Cho , Dosung Lee , Yesol Park , Youngjoon Hong

With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many…

Materials Science · Physics 2016-01-12 Rémi Dingreville , Richard A. Karnesky , Guillaume Puel , Jean-Hubert Schmitt

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

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…

Although artificial intelligence (AI) has achieved many feats at a rapid pace, there still exist open problems and fundamental shortcomings related to performance and resource efficiency. Since AI researchers benchmark a significant…

Artificial Intelligence · Computer Science 2023-10-16 Palaash Agrawal , Cheston Tan , Heena Rathore