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Metamaterials are artificially engineered structures that manipulate electromagnetic waves, having optical properties absent in natural materials. Recently, machine learning for the inverse design of metamaterials has drawn attention.…

Failure in brittle materials led by the evolution of micro- to macro-cracks under repetitive or increasing loads is often catastrophic with no significant plasticity to advert the onset of fracture. Early failure detection with respective…

Computational Engineering, Finance, and Science · Computer Science 2020-03-25 Eduardo A. Barros de Moraes , Hadi Salehi , Mohsen Zayernouri

Due to their abundant use in all-solid-state lasers, nonlinear optical (NLO) crystals are needed for many applications across diverse fields such as medicine and communication. However, because of conflicting requirements, the design of…

Materials Science · Physics 2025-08-13 Victor Trinquet , Matthew L. Evans , Gian-Marco Rignanese

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Materials Science · Physics 2020-11-02 Bijun Tang , Yuhao Lu , Jiadong Zhou , Han Wang , Prafful Golani , Manzhang Xu , Quan Xu , Cuntai Guan , Zheng Liu

Most design methods contain a forward framework, asking for primary specifications of a building to generate an output or assess its performance. However, architects urge for specific objectives though uncertain of the proper design…

Computer Vision and Pattern Recognition · Computer Science 2021-06-10 Zohreh Shaghaghian , Wei Yan

Functionally Graded Materials (FGMs) made of soft constituents have emerged as promising material-structure systems in potential applications across many engineering disciplines, such as soft robots, actuators, energy harvesting, and tissue…

Computational Engineering, Finance, and Science · Computer Science 2025-07-01 Shiguang Deng , Horacio D. Espinosa , Wei Chen

To aid in the automation of inorganic materials synthesis, we introduce an algorithm (ARROWS3) that guides the selection of precursors used in solid-state reactions. Given a target phase, ARROWS3 iteratively proposes experiments and learns…

Materials Science · Physics 2023-11-02 Nathan J. Szymanski , Pragnay Nevatia , Christopher J. Bartel , Yan Zeng , Gerbrand Ceder

High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…

Materials Science · Physics 2019-06-17 Hang Zhang , Kedar Hippalgaonkar , Tonio Buonassisi , Ole M. Løvvik , Espen Sagvolden , Ding Ding

Algorithmic materials discovery is a multi-disciplinary domain that integrates insights from specialists in alloy design, synthesis, characterization, experimental methodologies, computational modeling, and optimization. Central to this…

The free energy of a system is central to many material models. Although free energy data is not generally found directly, its derivatives can be observed or calculated. In this work, we present an Integrable Deep Neural Network (IDNN) that…

Materials Science · Physics 2019-06-26 G. H. Teichert , A. R. Natarajan , A. Van der Ven , K. Garikipati

The effectiveness of the machine learning methods for real-world tasks depends on the proper structure of the modeling pipeline. The proposed approach is aimed to automate the design of composite machine learning pipelines, which is…

The digitization of manufacturing processes enables promising applications for machine learning-assisted quality assurance. A widely used manufacturing process that can strongly benefit from data-driven solutions is gas metal arc welding…

Machine Learning · Computer Science 2023-10-23 Yannik Hahn , Robert Maack , Guido Buchholz , Marion Purrio , Matthias Angerhausen , Hasan Tercan , Tobias Meisen

Studying materials informatics from a data mining perspective can be beneficial for manufacturing and other industrial engineering applications. Predictive data mining technique and machine learning algorithm are combined to design a…

Databases · Computer Science 2012-09-20 Doreswamy , Hemanth K. S

Material extrusion is one of the most commonly used approaches within the additive manufacturing processes available. Despite its popularity and related technical advancements, process reliability and quality assurance remain only partially…

Machine Learning · Computer Science 2024-06-21 Fátima García-Martínez , Diego Carou , Francisco de Arriba-Pérez , Silvia García-Méndez

Although the tailored metal active sites and porous architectures of MOFs hold great promise for engineering challenges ranging from gas separations to catalysis, a lack of understanding of how to improve their stability limits their use in…

Materials Science · Physics 2021-06-28 Aditya Nandy , Chenru Duan , Heather J. Kulik

Data-driven modeling can suffer from a constant demand for data, leading to reduced accuracy and impractical for engineering applications due to the high cost and scarcity of information. To address this challenge, we propose a progressive…

Machine Learning · Computer Science 2023-10-09 Teeratorn Kadeethum , Daniel O'Malley , Youngsoo Choi , Hari S. Viswanathan , Hongkyu Yoon

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

The design of intelligent materials often draws parallels with the complex adaptive behaviors of biological organisms, where robust functionality stems from sophisticated hierarchical organization and emergent long-distance coordination…

Soft Condensed Matter · Physics 2025-11-13 Vladimir A. Baulin , Rudolf M. Füchslin , Achille Giacometti , Helmut Hauser , Marco Werner

Data mining is a recognized predictive tool in a variety of areas ranging from bioinformatics and drug design to crystal structure prediction. In the present study, an electronic structure implementation has been combined with structural…

Materials Science · Physics 2008-08-18 C. Ortiz , O. Eriksson , M. Klintenberg

Proposing new materials by atom substitution based on periodic table similarity is a conventional strategy of searching for materials with desired property. We introduce a machine learning frame work that promotes this paradigm to be…

Materials Science · Physics 2019-04-19 Lei Gu , Ruqian Wu