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Related papers: Roadmap on Data-Centric Materials Science

200 papers

The advent of data-driven science in the 21st century brought about the need for well-organized structured data and associated infrastructure able to facilitate the applications of Artificial Intelligence and Machine Learning. We present an…

Databases · Computer Science 2022-03-03 Alexander Zech , Timur Bazhirov

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

The rapid development of machine learning (ML) methods has fundamentally affected numerous applications ranging from computer vision, biology, and medicine to accounting and text analytics. Until now, it was the availability of large and…

Data Analysis, Statistics and Probability · Physics 2022-04-12 Sergei V. Kalinin , Maxim Ziatdinov , Bobby G. Sumpter , Andrew D. White

The classical material tetrahedron that represents the Structure-Property-Processing-Performance-Characterization relationship is the most important research paradigm in materials science so far. It has served as a protocol to guide…

Materials Science · Physics 2026-03-17 Shiyun Zhang , Yibo Yao , Haoquan Long , Dingwen Tao , Guangming Tan , Wei-Hua Wang , Yuan-Chao Hu

Deep learning (DL) is one of the fastest growing topics in materials data science, with rapidly emerging applications spanning atomistic, image-based, spectral, and textual data modalities. DL allows analysis of unstructured data and…

Recently, we have been witnessing huge advancements in the scale of data we routinely generate and collect in pretty much everything we do, as well as our ability to exploit modern technologies to process, analyze and understand this data.…

Databases · Computer Science 2017-09-25 Radwa Elshawi , Sherif Sakr

Data science is not a science. It is a research paradigm. Its power, scope, and scale will surpass science, our most powerful research paradigm, to enable knowledge discovery and change our world. We have yet to understand and define it,…

Machine Learning · Computer Science 2023-07-25 Michael L Brodie

Nanoscale design of surfaces and interfaces is essential for modern technologies like organic LEDs, batteries, fuel cells, superlubricating surfaces, and heterogeneous catalysis. However, these systems often exhibit complex surface…

Materials Science · Physics 2025-07-08 Lukas Hörmann , Wojciech G. Stark , Reinhard J. Maurer

Facilitating the application of machine learning to materials science problems will require enhancing the data ecosystem to enable discovery and collection of data from many sources, automated dissemination of new data across the ecosystem,…

Materials Science · Physics 2020-02-19 Ben Blaiszik , Logan Ward , Marcus Schwarting , Jonathon Gaff , Ryan Chard , Daniel Pike , Kyle Chard , Ian Foster

Since the surge of data in materials science research and the advancement in machine learning methods, an increasing number of researchers are introducing machine learning techniques into the next generation of materials discovery, ranging…

Soft Condensed Matter · Physics 2024-08-12 Maya M. Martirossyan , Hongjin Du , Julia Dshemuchadse , Chrisy Xiyu Du

Information and communication technologies are permeating all aspects of industrial and manufacturing systems, expediting the generation of large volumes of industrial data. This article surveys the recent literature on data management as…

Networking and Internet Architecture · Computer Science 2019-08-02 Theofanis P. Raptis , Andrea Passarella , Marco Conti

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

In materials science and manufacturing, vast amounts of heterogeneous data (e.g., measurement and simulation logs, process data, publications) serve as the bedrock of valuable knowledge for various engineering applications. However,…

The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial…

In recent years, Large Language Models (LLMs) have emerged as transformative tools across numerous domains, impacting how professionals approach complex analytical tasks. This systematic mapping study comprehensively examines the…

Computers and Society · Computer Science 2025-08-19 Sai Sanjna Chintakunta , Nathalia Nascimento , Everton Guimaraes

There has been an increasing recognition of the value of data and of data-based decision making. As a consequence, the development of data science as a field of study has intensified in recent years. However, there is no systematic and…

Other Computer Science · Computer Science 2024-01-05 M. Tamer Özsu

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

Data-driven approaches have revolutionized the design and optimization of photonic metadevices by harnessing advanced artificial intelligence methodologies. This review takes a model-centric perspective that synthesizes emerging design…

The twenty-first century has ushered in the age of big data and data economy, in which data DNA, which carries important knowledge, insights and potential, has become an intrinsic constituent of all data-based organisms. An appropriate…

Computers and Society · Computer Science 2020-07-08 Longbing Cao