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Many modern-day applications require the development of new materials with specific properties. In particular, the design of new glass compositions is of great industrial interest. Current machine learning methods for learning the…

Computational Physics · Physics 2024-02-07 Gregor Maier , Jan Hamaekers , Dominik-Sergio Martilotti , Benedikt Ziebarth

The rapid rise of IoT and Big Data has facilitated copious data driven applications to enhance our quality of life. However, the omnipresent and all-encompassing nature of the data collection can generate privacy concerns. Hence, there is a…

Machine Learning · Computer Science 2021-09-09 Mert Al , Semih Yagli , Sun-Yuan Kung

Density functional theory and its optimization algorithm are the main methods to calculate the properties in the field of materials. Although the calculation results are accurate, it costs a lot of time and money. In order to alleviate this…

Materials Science · Physics 2021-09-21 Houchen Zuo , Yongquan Jiang , Yan Yang , Jie Hu

Precision Medicine (PM) is an emerging approach that appears with the impression of changing the existing paradigm of medical practice. Recent advances in technological innovations and genetics, and the growing availability of health data…

Computers and Society · Computer Science 2019-11-05 Muhammad Afzal , S. M. Riazul Islam , Maqbool Hussain , Sungyoung Lee

From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

The expansion of programmatically-accessible materials data has cultivated opportunities for data-driven approaches. Highly-automated frameworks like AFLOW not only manage the generation, storage, and dissemination of materials data, but…

Materials Science · Physics 2018-05-17 Corey Oses , Cormac Toher , Stefano Curtarolo

The screening of novel materials is an important topic in the field of materials science. Although traditional computational modeling, especially first-principles approaches, is a very useful and accurate tool to predict the properties of…

Computational Physics · Physics 2020-07-30 Marco Fronzi , Mutaz Abu Ghazaleh , Olexandr Isayev , David A. Winkler , Joe Shapter , Michael J. Ford

An image based prediction of the effective heat conductivity for highly heterogeneous microstructured materials is presented. The synthetic materials under consideration show different inclusion morphology, orientation, volume fraction and…

Computational Engineering, Finance, and Science · Computer Science 2019-04-02 Julian Lißner , Felix Fritzen

Model-based approaches for image reconstruction, analysis and interpretation have made significant progress over the last decades. Many of these approaches are based on either mathematical, physical or biological models. A challenge for…

Computer Vision and Pattern Recognition · Computer Science 2019-10-01 Daniel Rueckert , Julia A. Schnabel

Many-body physics of electron-electron correlations plays a central role in condensed mater physics, it governs a wide range of phenomena, stretching from superconductivity to magnetism, and is behind numerous technological applications. To…

Mesoscale and Nanoscale Physics · Physics 2023-06-09 Anupam Bhattacharya , Ivan Timokhin , Ratnamala Chatterjee , Qian Yang , Artem Mishchenko

Machine learning and optimization algorithms have been widely applied in the design and optimization for photonic devices. In this article, we briefly review recent progress of this field of research and show some data-driven applications…

Optics · Physics 2020-07-15 Tian Zhang , Qi Liu , Yihang Dan , Shuai Yu , Xu Han , Jian Dai , Kun Xu

In recent years, several machine learning approaches have been proposed to predict gene expression and epigenetic signals from the DNA sequence alone. These models are often used to deduce, and, to some extent, assess putative new…

Genomics · Quantitative Biology 2023-04-26 Laurent Bréhélin

Determining material properties from camera images can expand the ability to identify complex objects in indoor environments, which is valuable for consumer robotics applications. To support this, we introduce MatPredict, a dataset that…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Yuzhen Chen , Hojun Son , Arpan Kusari

With the rise of electronic data, particularly Earth observation data, data-based geospatial modelling using machine learning (ML) has gained popularity in environmental research. Accurate geospatial predictions are vital for domain…

Machine Learning · Computer Science 2023-11-21 Diana Koldasbayeva , Polina Tregubova , Mikhail Gasanov , Alexey Zaytsev , Anna Petrovskaia , Evgeny Burnaev

Finding new materials with previously unknown atomic structure or materials with optimal set of properties for a specific application greatly benefits from computational modeling. Recently, such screening has been dramatically accelerated…

Materials Science · Physics 2025-04-11 Ethan Berger , Mohammad Bagheri , Hannu-Pekka Komsa

Process mining enables the reconstruction and evaluation of business processes based on digital traces in IT systems. An increasingly important technique in this context is process prediction. Given a sequence of events of an ongoing trace,…

Machine Learning · Computer Science 2021-06-09 Dominic A. Neu , Johannes Lahann , Peter Fettke

Machine learning is finding increasingly broad application in the physical sciences. This most often involves building a model relationship between a dependent, measurable output and an associated set of controllable, but complicated,…

Computational Physics · Physics 2018-08-29 Brian K. Spears

Machine learning (ML) methods are becoming popular tools for the prediction and design of novel materials. In particular, neural network (NN) is a promising ML method, which can be used to identify hidden trends in the data. However, these…

Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…

Materials Science · Physics 2025-03-04 Onur Boyar , Indra Priyadarsini , Seiji Takeda , Lisa Hamada

Using machine learning, especially deep learning, to facilitate biological research is a fascinating research direction. However, in addition to the standard classification or regression problems, in bioinformatics, we often need to predict…

Quantitative Methods · Quantitative Biology 2020-08-31 Yu Li
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