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High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

Many data-driven applications in material science have been made possible because of recent breakthroughs in artificial intelligence(AI). The use of AI in material engineering is becoming more viable as the number of material data such as…

Materials Science · Physics 2022-02-07 Mohendra Roy

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

In this modern technological era, categorization and ranking of research journals is gaining popularity among researchers and scientists. It plays a significant role for publication of their research findings in a quality journal. Although,…

Digital Libraries · Computer Science 2022-10-07 Rabia Shabbir Ranjha , Arshad Ali , Shahid Yousaf

A plethora of research has been done in the past focusing on predicting student's performance in order to support their development. Many institutions are focused on improving the performance and the education quality; and this can be…

Computers and Society · Computer Science 2020-05-15 MohammadNoor Injadat , Abdallah Moubayed , Ali Bou Nassif , Abdallah Shami

Machine Learning approaches are good in solving problems that have less information. In most cases, the software domain problems characterize as a process of learning that depend on the various circumstances and changes accordingly. A…

Software Engineering · Computer Science 2015-06-26 Saiqa Aleem , Luiz Fernando Capretz , Faheem Ahmed

We consider sequential decision making problems for binary classification scenario in which the learner takes an active role in repeatedly selecting samples from the action pool and receives the binary label of the selected alternatives.…

Machine Learning · Statistics 2015-10-09 Yingfei Wang , Chu Wang , Warren Powell

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

This paper presents a data processing pipeline designed to extract information from the hyperspectral signature of unknown space objects. The methodology proposed in this paper determines the material composition of space objects from…

Instrumentation and Methods for Astrophysics · Physics 2024-01-30 Massimiliano Vasile , Lewis Walker , Andrew Campbell , Simao Marto , Paul Murray , Stephen Marshall , Vasili Savitski

Improving the precision of heart diseases detection has been investigated by many researchers in the literature. Such improvement induced by the overwhelming health care expenditures and erroneous diagnosis. As a result, various…

Computers and Society · Computer Science 2018-03-29 Israa Ahmed Zriqat , Ahmad Mousa Altamimi , Mohammad Azzeh

Critical heat flux is a key quantity in boiling system modeling due to its impact on heat transfer and component temperature and performance. This study investigates the development and validation of an uncertainty-aware hybrid modeling…

Machine Learning · Computer Science 2025-07-17 Aidan Furlong , Xingang Zhao , Robert Salko , Xu Wu

Machine Learning (ML) has found several applications in spectroscopy, including being used to recognise minerals and estimate elemental composition. In this work, we present novel methods for automatic mineral identification based on…

Machine Learning · Computer Science 2021-01-27 Pavel Jahoda , Igor Drozdovskiy , Francesco Sauro , Leonardo Turchi , Samuel Payler , Loredana Bessone

A main goal of data-driven materials research is to find optimal low-dimensional descriptors, allowing us to predict a physical property, and to interpret them in a human-understandable way. In this work, we advance methods to identify…

Materials Science · Physics 2022-12-14 Benedikt Hoock , Santiago Rigamonti , Claudia Draxl

The true power of computational research typically can lay in either what it accomplishes or what it enables others to accomplish. In this work, both avenues are simultaneously embraced across several distinct efforts existing at three…

Materials Science · Physics 2024-11-06 Adam M. Krajewski

In the past decade, there has been a significant interest in the use of machine learning approaches in materials science research. Conventional deep learning approaches that rely on complex, nonlinear models have become increasingly…

Materials Science · Physics 2025-10-02 Andrew Ma , Marin Soljačić

Feature selection plays an important role in the data mining process. It is needed to deal with the excessive number of features, which can become a computational burden on the learning algorithms. It is also necessary, even when…

Machine Learning · Computer Science 2015-10-13 Tarek Amr Abdallah , Beatriz de La Iglesia

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

At present, most surface-quality prediction methods can only perform single-task prediction which results in under-utilised datasets, repetitive work and increased experimental costs. To counter this, the authors propose a Bayesian…

Computational materials science increasingly benefits from data management, automation, and algorithm-based decision-making for the simulation of material properties and behavior. Experimental materials science also changes rapidly by…

In the fields of finance, engineering and sciences data mining/ machine learning has held an eminent position in predictive analysis. Complex algorithms and adaptive decision models have contributed towards streamlining research as well as…

Information Theory · Computer Science 2012-07-03 Indraneel Dabhade