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A key task in the emerging field of materials informatics is to use machine learning to predict a material's properties and functions. A fast and accurate predictive model allows researchers to more efficiently identify or construct a…

Applications · Statistics 2022-02-01 Mohamed A. Abba , Jonathan P Williams , Brian J Reich

The discovery of novel superconducting materials is a longstanding challenge in materials science, with a wealth of potential for applications in energy, transportation, and computing. Recent advances in artificial intelligence (AI) have…

A direct and local deep learning (DL) model for atomic forces is presented. We demonstrate the model performance in bulk aluminum, sodium, and silicon; and show that its errors are comparable to those found in state-of-the-art machine…

Chemical Physics · Physics 2018-09-26 Natalia Kuritz , Goren Gordon , Amir Natan

The lattice thermal conductivity ($\kappa_{\ell}$) is a key materials property in power electronics, thermal barriers, and thermoelectric devices. Identifying a wide pool of compounds with low $\kappa_{\ell}$ is particularly important in…

Materials Science · Physics 2023-09-14 Rasmus Tranås , Ole Martin Løvvik , Kristian Berland

Statistical analysis of network data has attracted considerable attention in recent years, due to the rapid advancement of well-trained network models and the accessibility of large public network datasets. In this article, we propose a…

Methodology · Statistics 2026-04-22 Yong He , Kangxiang Qin , Haoran Tang

Heat management is crucial for state-of-the-art applications such as passive radiative cooling, thermally adjustable wearables, and camouflage systems. Their adaptive versions, to cater to varied requirements, lean on the potential of…

Applied Physics · Physics 2023-11-06 Peng Jin , Liujun Xu , Guoqiang Xu , Jiaxin Li , Cheng-Wei Qiu , Jiping Huang

We discover many new crystalline solid materials with fast single crystal Li ion conductivity at room temperature, discovered through density functional theory simulations guided by machine learning-based methods. The discovery of new solid…

Materials Science · Physics 2019-04-22 Austin D. Sendek , Ekin D. Cubuk , Evan R. Antoniuk , Gowoon Cheon , Yi Cui , Evan J. Reed

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

Climate models play a critical role in understanding and projecting climate change. Due to their complexity, their horizontal resolution of about 40-100 km remains too coarse to resolve processes such as clouds and convection, which need to…

Machine Learning · Computer Science 2025-03-18 Birgit Kühbacher , Fernando Iglesias-Suarez , Niki Kilbertus , Veronika Eyring

Accurate and fast prediction of materials properties is central to the digital transformation of materials design. However, the vast design space and diverse operating conditions pose significant challenges for accurately modeling arbitrary…

Data-driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and…

Machine Learning · Computer Science 2025-10-29 Robert J Appleton , Brian C Barnes , Alejandro Strachan

Predicting student performance under varying data distributions is a challenging task. This study proposes a method to improve prediction accuracy by employing transfer learning techniques on the dataset with varying distributions. Using…

Computers and Society · Computer Science 2024-07-19 Yan Zhao

Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…

Chemical Physics · Physics 2025-10-03 Johannes Voss

Data scarcity, bias, and experimental noise are all frequently encountered problems in the application of deep learning to chemical and material science disciplines. Transfer learning has proven effective in compensating for the lack in…

Chemical Physics · Physics 2021-03-16 Florence H. Vermeire , William H. Green

Machine learning potentials (MLPs) for atomistic simulations have an enormous prospective impact on materials modeling, offering orders of magnitude speedup over density functional theory (DFT) calculations without appreciably sacrificing…

Materials Science · Physics 2022-01-20 Dylan Bayerl , Christopher M. Andolina , Shyam Dwaraknath , Wissam A. Saidi

This study investigates the application of Transfer Learning (TL) on Transformer architectures to enhance building energy consumption forecasting. Transformers are a relatively new deep learning architecture, which has served as the…

Machine Learning · Computer Science 2024-11-22 Robert Spencer , Surangika Ranathunga , Mikael Boulic , Andries van Heerden , Teo Susnjak

Deep transfer learning (DTL) has formed a long-term quest toward enabling deep neural networks (DNNs) to reuse historical experiences as efficiently as humans. This ability is named knowledge transferability. A commonly used paradigm for…

Computer Vision and Pattern Recognition · Computer Science 2022-12-02 Yixiong Chen , Jingxian Li , Chris Ding , Li Liu

Artificial intelligence (AI) based downlink channel state information (CSI) prediction for frequency division duplexing (FDD) massive multiple-input multiple-output (MIMO) systems has attracted growing attention recently. However, existing…

Information Theory · Computer Science 2020-09-08 Yuwen Yang , Feifei Gao , Zhimeng Zhong , Bo Ai , Ahmed Alkhateeb

Sparse sensor array selection arises in many engineering applications, where it is imperative to obtain maximum spatial resolution from a limited number of array elements. Recent research shows that computational complexity of array…

Signal Processing · Electrical Eng. & Systems 2020-06-03 Ahmet M. Elbir , Kumar Vijay Mishra

Transfer learning (TL) leverages previously obtained knowledge to learn new tasks efficiently and has been used to train deep learning (DL) models with limited amount of data. When TL is applied to DL, pretrained (teacher) models are…