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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

Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin

Advancements in artificial active matter heavily rely on our ability to characterise their motion. Yet, the most widely used tool to analyse the latter is standard wide-field microscopy, which is largely limited to the study of…

Soft Condensed Matter · Physics 2024-04-03 Maximilian Bailey , Fabio Grillo , Lucio Isa

With the surge of inexpensive computational and memory resources, neural networks (NNs) have experienced an unprecedented growth in architectural and computational complexity. Introducing NNs to resource-constrained devices enables…

Machine Learning · Computer Science 2021-04-22 Lennart Heim , Andreas Biri , Zhongnan Qu , Lothar Thiele

Characterizing materials using electron micrographs is crucial in areas such as semiconductors and quantum materials. Traditional classification methods falter due to the intricatestructures of these micrographs. This study introduces an…

Computer Vision and Pattern Recognition · Computer Science 2024-08-28 Sakhinana Sagar Srinivas , Geethan Sannidhi , Sreeja Gangasani , Chidaksh Ravuru , Venkataramana Runkana

Metamaterials, engineered materials with architected structures across multiple length scales, offer unprecedented and tunable mechanical properties that surpass those of conventional materials. However, leveraging advanced machine learning…

The "Workshop on Machine learning in heterogeneous porous materials" brought together international scientific communities of applied mathematics, porous media, and material sciences with experts in the areas of heterogeneous materials,…

Collectively, machine learning (ML) researchers are engaged in the creation and dissemination of knowledge about data-driven algorithms. In a given paper, researchers might aspire to any subset of the following goals, among others: to…

Machine Learning · Statistics 2018-07-27 Zachary C. Lipton , Jacob Steinhardt

Video microscopy has a long history of providing insights and breakthroughs for a broad range of disciplines, from physics to biology. Image analysis to extract quantitative information from video microscopy data has traditionally relied on…

Image and Video Processing · Electrical Eng. & Systems 2024-06-12 Benjamin Midtvedt , Saga Helgadottir , Aykut Argun , Jesús Pineda , Daniel Midtvedt , Giovanni Volpe

Machine learning (ML) can facilitate efficient thermoelectric (TE) material discovery essential to address the environmental crisis. However, ML models often suffer from poor experimental generalizability despite high metrics. This study…

Materials Science · Physics 2026-02-03 Shoeb Athar , Adrien Mecibah , Philippe Jund

We propose MatSci ML, a novel benchmark for modeling MATerials SCIence using Machine Learning (MatSci ML) methods focused on solid-state materials with periodic crystal structures. Applying machine learning methods to solid-state materials…

The thickness of 2D materials not only plays a crucial role in determining the performance of nanoelectronic and optoelectronic devices but also introduces complexities in predicting volume-dependent properties such as energy storage…

Materials Science · Physics 2024-05-27 Chinedu Ekuma

Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spectroscopy, and Mass Spectrometry, provide insight into the…

Chemical Physics · Physics 2024-10-30 Marvin Alberts , Oliver Schilter , Federico Zipoli , Nina Hartrampf , Teodoro Laino

Tailoring the performance of next-generation high entropy materials requires a deep understanding of the competition between entropy-driven random solid solution and enthalpy-driven chemical ordering. Investigating such order and disorder…

Materials Science · Physics 2026-03-24 Fanli Zhou , Hao Chen , Pengxiang Xu , Kai Yang , Zongrui Pei , Xianglin Liu

Machine learning (ML) methods have become powerful tools for predicting material properties with near first-principles accuracy and vastly reduced computational cost. However, the performance of ML models critically depends on the quality,…

Materials Science · Physics 2025-11-20 Pol Benítez , Cibrán López , Edgardo Saucedo , Teruyasu Mizoguchi , Claudio Cazorla

In machine learning (ML), efficient asset management, including ML models, datasets, algorithms, and tools, is vital for resource optimization, consistent performance, and a streamlined development lifecycle. This enables quicker…

Software Engineering · Computer Science 2024-06-19 Zhimin Zhao , Yihao Chen , Abdul Ali Bangash , Bram Adams , Ahmed E. Hassan

Software sustainability is a key multifaceted non-functional requirement that encompasses environmental, social, and economic concerns, yet its integration into the development of Machine Learning (ML)-enabled systems remains an open…

Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current AI workflows optimize performance first, deferring sustainability…

The use of Machine Learning (ML) models in cybersecurity solutions requires high-quality data that is stripped of redundant, missing, and noisy information. By selecting the most relevant features, data integrity and model efficiency can be…

Cryptography and Security · Computer Science 2024-06-13 Miguel Silva , João Vitorino , Eva Maia , Isabel Praça

With the growing complexity of computational and experimental facilities, many scientific researchers are turning to machine learning (ML) techniques to analyze large scale ensemble data. With complexities such as multi-component workflows,…