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Full-Text Articles in Physical Sciences and Mathematics
Mlatticeabc: Generic Lattice Constant Prediction Of Crystal Materials Using Machine Learning, Yuxin Li, Wenhui Yang, Rongzhi Dong, Jianjun Hu
Mlatticeabc: Generic Lattice Constant Prediction Of Crystal Materials Using Machine Learning, Yuxin Li, Wenhui Yang, Rongzhi Dong, Jianjun Hu
Faculty Publications
Lattice constants such as unit cell edge lengths and plane angles are important parameters of the periodic structures of crystal materials. Predicting crystal lattice constants has wide applications in crystal structure prediction and materials property prediction. Previous work has used machine learning models such as neural networks and support vector machines combined with composition features for lattice constant prediction and has achieved a maximum performance for cubic structures with an average coefficient of determination (R2) of 0.82. Other models tailored for special materials family of a fixed form such as ABX3 perovskites can achieve much higher performance due …
Critical Temperature Prediction Of Superconductors Based On Atomic Vectors And Deep Learning, Shaobo Li, Yabo Dan, Xiang Li, Tiantian Hu, Rongzhi Dong, Zhuo Cao, Jianjun Hu
Critical Temperature Prediction Of Superconductors Based On Atomic Vectors And Deep Learning, Shaobo Li, Yabo Dan, Xiang Li, Tiantian Hu, Rongzhi Dong, Zhuo Cao, Jianjun Hu
Faculty Publications
In this paper, a hybrid neural network (HNN) that combines a convolutional neural network (CNN) and long short-term memory neural network (LSTM) is proposed to extract the high-level characteristics of materials for critical temperature (Tc) prediction of superconductors. Firstly, by obtaining 73,452 inorganic compounds from the Materials Project (MP) database and building an atomic environment matrix, we obtained a vector representation (atomic vector) of 87 atoms by singular value decomposition (SVD) of the atomic environment matrix. Then, the obtained atom vector was used to implement the coded representation of the superconductors in the order of the atoms in the chemical …
Machine Learning To Quantitate Neutrophil Netosis, Laila Elsherif, Noah Sciaky, Carrington A. Metts, Md. Modasshir, Ioannis Rekleitis, Christine A. Burris, Joshua A. Walker, Nadeem Ramadan, Tina M. Leisner, Stephen P. Holly, Martis W. Cowles, Kenneth I. Ataga, Joshua N. Cooper, Leslie V. Parise
Machine Learning To Quantitate Neutrophil Netosis, Laila Elsherif, Noah Sciaky, Carrington A. Metts, Md. Modasshir, Ioannis Rekleitis, Christine A. Burris, Joshua A. Walker, Nadeem Ramadan, Tina M. Leisner, Stephen P. Holly, Martis W. Cowles, Kenneth I. Ataga, Joshua N. Cooper, Leslie V. Parise
Faculty Publications
We introduce machine learning (ML) to perform classifcation and quantitation of images of nuclei from human blood neutrophils. Here we assessed the use of convolutional neural networks (CNNs) using free, open source software to accurately quantitate neutrophil NETosis, a recently discovered process involved in multiple human diseases. CNNs achieved >94% in performance accuracy in diferentiating NETotic from non-NETotic cells and vastly facilitated dose-response analysis and screening of the NETotic response in neutrophils from patients. Using only features learned from nuclear morphology, CNNs can distinguish between NETosis and necrosis and between distinct NETosis signaling pathways, making them a precise tool for …