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Architected materials can achieve enhanced properties compared to their plain counterparts. Specific architecting serves as a powerful design lever to achieve targeted behavior without changing the base material. Thus, the connection…

Materials Science · Physics 2023-02-14 Andrew J. Lew , Kai Jin , Markus J. Buehler

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

Design space exploration is an important but costly step involved in the design/deployment of custom architectures to squeeze out maximum possible performance and energy efficiency. Conventionally, optimizations require iterative sampling…

Machine Learning · Computer Science 2021-08-20 Ananda Samajdar , Jan Moritz Joseph , Matthew Denton , Tushar Krishna

Algorithms proposed for solving high-dimensional optimization problems with no derivative information frequently encounter the "curse of dimensionality," becoming ineffective as the dimension of the parameter space grows. One feature of a…

Optimization and Control · Mathematics 2020-04-28 Dmitry Pozharskiy , Noah J. Wichrowski , Andrew B. Duncan , Grigorios A. Pavliotis , Ioannis G. Kevrekidis

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

While machine learning has emerged in recent years as a useful tool for rapid prediction of materials properties, generating sufficient data to reliably train models without overfitting is still impractical for many applications. Towards…

Materials Science · Physics 2022-07-29 Rees Chang , Yu-Xiong Wang , Elif Ertekin

Microstructure--property relationships are key to effective design of structural materials for advanced applications. Advances in computational methods enabled modeling microstructure-sensitive properties using 3D models (e.g., finite…

Materials Science · Physics 2023-03-20 Guangyu Hu , Marat I. Latypov

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

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…

The goal of machine learning is to provide solutions which are trained by data or by experience coming from the environment. Many training algorithms exist and some brilliant successes were achieved. But even in structured environments for…

Adaptation and Self-Organizing Systems · Physics 2011-09-06 Wolfgang Konen

Efficient deep learning computing requires algorithm and hardware co-design to enable specialization: we usually need to change the algorithm to reduce memory footprint and improve energy efficiency. However, the extra degree of freedom…

Machine Learning · Computer Science 2019-04-25 Song Han , Han Cai , Ligeng Zhu , Ji Lin , Kuan Wang , Zhijian Liu , Yujun Lin

Artificial Intelligence and Machine Learning algorithms have considerable potential to influence the prediction of material properties. Additive materials have a unique property prediction challenge in the form of surface roughness effects…

Machine learning algorithms have been used widely in various applications and areas. To fit a machine learning model into different problems, its hyper-parameters must be tuned. Selecting the best hyper-parameter configuration for machine…

Machine Learning · Computer Science 2022-10-06 Li Yang , Abdallah Shami

Machine learning was utilized to efficiently boost the development of soft magnetic materials. The design process includes building a database composed of published experimental results, applying machine learning methods on the database,…

Practical applications of mechanical metamaterials often involve solving inverse problems where the objective is to find the (multiple) microarchitectures that give rise to a given set of properties. The limited resolution of additive…

It is important to develop sustainable processes in materials science and manufacturing that are environmentally friendly. AI can play a significant role in decision support here as evident from our earlier research leading to tools…

Artificial Intelligence · Computer Science 2023-03-27 Aparna S. Varde , Jianyu Liang

The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can…

Machine Learning · Statistics 2017-07-20 Julia Ling , Max Hutchinson , Erin Antono , Sean Paradiso , Bryce Meredig

Machine learning interatomic potentials have revolutionized complex materials design by enabling rapid exploration of material configurational spaces via crystal structure prediction with ab initio accuracy. However, critical challenges…

The rapidly evolving field of engineering design of functional surfaces necessitates sophisticated tools to manage the inherent complexity of high-dimensional design spaces. This survey paper offers a scoping review, i.e., a literature…

Optimization and Control · Mathematics 2025-04-09 Andrea Serani , Matteo Diez

The optimization along the chain processing-structure-properties-performance is one of the core objectives in data-driven materials science. In this sense, processes are supposed to manufacture workpieces with targeted material…

Materials Science · Physics 2022-03-24 Tarek Iraki , Lukas Morand , Johannes Dornheim , Norbert Link , Dirk Helm