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Full-Text Articles in Physical Sciences and Mathematics

Computational Screening Of New Perovskite Materials Using Transfer Learning And Deep Learning, Xiang Li, Yabo Dan, Rongzhi Dong, Zhuo Cao, Chengcheng Niu, Yuqi Song, Shaobo Li, Jianjun Hu Dec 2019

Computational Screening Of New Perovskite Materials Using Transfer Learning And Deep Learning, Xiang Li, Yabo Dan, Rongzhi Dong, Zhuo Cao, Chengcheng Niu, Yuqi Song, Shaobo Li, Jianjun Hu

Faculty Publications

As one of the most studied materials, perovskites exhibit a wealth of superior properties that lead to diverse applications. Computational prediction of novel stable perovskite structures has big potential in the discovery of new materials for solar panels, superconductors, thermal electric, and catalytic materials, etc. By addressing one of the key obstacles of machine learning based materials discovery, the lack of sufficient training data, this paper proposes a transfer learning based approach that exploits the high accuracy of the machine learning model trained with physics-informed structural and elemental descriptors. This gradient boosting regressor model (the transfer learning model) allows us …


Fkrr-Mvsf: A Fuzzy Kernel Ridge Regression Model For Identifying Dna-Binding Proteins By Multi-View Sequence Features Via Chou's Five-Step Rule, Yi Zou, Yijie Ding, Jijun Tang, Fei Guo, Li Peng Sep 2019

Fkrr-Mvsf: A Fuzzy Kernel Ridge Regression Model For Identifying Dna-Binding Proteins By Multi-View Sequence Features Via Chou's Five-Step Rule, Yi Zou, Yijie Ding, Jijun Tang, Fei Guo, Li Peng

Faculty Publications

DNA-binding proteins play an important role in cell metabolism. In biological laboratories, the detection methods of DNA-binding proteins includes yeast one-hybrid methods, bacterial singles and X-ray crystallography methods and others, but these methods involve a lot of labor, material and time. In recent years, many computation-based approachs have been proposed to detect DNA-binding proteins. In this paper, a machine learning-based method, which is called the Fuzzy Kernel Ridge Regression model based on Multi-View Sequence Features (FKRR-MVSF), is proposed to identifying DNA-binding proteins. First of all, multi-view sequence features are extracted from protein sequences. Next, a Multiple Kernel Learning (MKL) algorithm …


Fkrr-Mvsf: A Fuzzy Kernel Ridge Regression Model For Identifying Dna-Binding Proteins By Multi-View Sequence Features Via Chou's Five-Step Rule, Yi Zou, Yije Ding, Jijun Tang, Fei Guo, Li Peng Sep 2019

Fkrr-Mvsf: A Fuzzy Kernel Ridge Regression Model For Identifying Dna-Binding Proteins By Multi-View Sequence Features Via Chou's Five-Step Rule, Yi Zou, Yije Ding, Jijun Tang, Fei Guo, Li Peng

Faculty Publications

DNA-binding proteins play an important role in cell metabolism. In biological laboratories, the detection methods of DNA-binding proteins includes yeast one-hybrid methods, bacterial singles and X-ray crystallography methods and others, but these methods involve a lot of labor, material and time. In recent years, many computation-based approachs have been proposed to detect DNA-binding proteins. In this paper, a machine learning-based method, which is called the Fuzzy Kernel Ridge Regression model based on Multi-View Sequence Features (FKRR-MVSF), is proposed to identifying DNA-binding proteins. First of all, multi-view sequence features are extracted from protein sequences. Next, a Multiple Kernel Learning (MKL) algorithm …


A Review Of Text Corpus-Based Tourism Big Data Mining, Qin Lin, Shaobo Li, Sen Zhang, Jie Hu, Jianjun Hu Aug 2019

A Review Of Text Corpus-Based Tourism Big Data Mining, Qin Lin, Shaobo Li, Sen Zhang, Jie Hu, Jianjun Hu

Faculty Publications

With the massive growth of the Internet, text data has become one of the main formats of tourism big data. As an effective expression means of tourists’ opinions, text mining of such data has big potential to inspire innovations for tourism practitioners. In the past decade, a variety of text mining techniques have been proposed and applied to tourism analysis to develop tourism value analysis models, build tourism recommendation systems, create tourist profiles, and make policies for supervising tourism markets. The successes of these techniques have been further boosted by the progress of natural language processing (NLP), machine learning, and …


A Review Of Text Corpus-Based Tourism Big Data Mining, Qin Li, Shaobo Li, Sen Zhang, Jie Hu, Jianhun Hu Aug 2019

A Review Of Text Corpus-Based Tourism Big Data Mining, Qin Li, Shaobo Li, Sen Zhang, Jie Hu, Jianhun Hu

Faculty Publications

With the massive growth of the Internet, text data has become one of the main formats of tourism big data. As an effective expression means of tourists’ opinions, text mining of such data has big potential to inspire innovations for tourism practitioners. In the past decade, a variety of text mining techniques have been proposed and applied to tourism analysis to develop tourism value analysis models, build tourism recommendation systems, create tourist profiles, and make policies for supervising tourism markets. The successes of these techniques have been further boosted by the progress of natural language processing (NLP), machine learning, and …


Personalized Product Evaluation Based On Gra-Topsis And Kansei Engineering, Huafeng Quan, Shaobo Li, Hongjing Wei, Jianjun Hu Jul 2019

Personalized Product Evaluation Based On Gra-Topsis And Kansei Engineering, Huafeng Quan, Shaobo Li, Hongjing Wei, Jianjun Hu

Faculty Publications

With the improvement of human living standards, users’ requirements have changed from function to emotion. Helping users pick out the most suitable product based on their subjective requirements is of great importance for enterprises. This paper proposes a Kansei engineering-based grey relational analysis and techniques for order preference by similarity to ideal solution (KE-GAR-TOPSIS) method to make a subjective user personalized ranking of alternative products. The KE-GRA-TOPSIS method integrates five methods, including Kansei Engineering (KE), analytic hierarchy process (AHP), entropy, game theory, and grey relational analysis-TOPSIS (GRA-TOPSIS). First, an evaluation system is established by KE and AHP. Second, we define …


Using Big Data Analytics To Improve Hiv Medical Care Utilisation In South Carolina: A Study Protocol, Bankole Olatosi, Jiajia Zhang, Sharon Weissman, Jianjun Hu, Mohammad Rifat Haider, Xiaoming Li Jun 2019

Using Big Data Analytics To Improve Hiv Medical Care Utilisation In South Carolina: A Study Protocol, Bankole Olatosi, Jiajia Zhang, Sharon Weissman, Jianjun Hu, Mohammad Rifat Haider, Xiaoming Li

Faculty Publications

Introduction Linkage and retention in HIV medical care remains problematic in the USA. Extensive health utilisation data collection through electronic health records (EHR) and claims data represent new opportunities for scientific discovery. Big data science (BDS) is a powerful tool for investigating HIV care utilisation patterns. The South Carolina (SC) office of Revenue and Fiscal Affairs (RFA) data warehouse captures individual-level longitudinal health utilisation data for persons living with HIV (PLWH). The data warehouse includes EHR, claims and data from private institutions, housing, prisons, mental health, Medicare, Medicaid, State Health Plan and the department of health and human services. The …


Deep Autoencoder Neural Networks For Short-Term Traffic Congestion Prediction Of Transportation Networks, Sen Zhang, Yong Yao, Jie Hu, Yong Zhao, Shaobo Li, Jianjun Hu May 2019

Deep Autoencoder Neural Networks For Short-Term Traffic Congestion Prediction Of Transportation Networks, Sen Zhang, Yong Yao, Jie Hu, Yong Zhao, Shaobo Li, Jianjun Hu

Faculty Publications

Traffic congestion prediction is critical for implementing intelligent transportation systems for improving the efficiency and capacity of transportation networks. However, despite its importance, traffic congestion prediction is severely less investigated compared to traffic flow prediction, which is partially due to the severe lack of large-scale high-quality traffic congestion data and advanced algorithms. This paper proposes an accessible and general workflow to acquire large-scale traffic congestion data and to create traffic congestion datasets based on image analysis. With this workflow we create a dataset named Seattle Area Traffic Congestion Status (SATCS) based on traffic congestion map snapshots from a publicly available …


Convolutional Neural Networks For Crystal Material Property Prediction Using Hybrid Orbital-Field Matrix And Magpie Descriptors, Zhuo Cao, Yabo Dan, Zheng Xiong, Chengcheng Niu, Xiang Li, Songrong Qian, Jianjun Hu Apr 2019

Convolutional Neural Networks For Crystal Material Property Prediction Using Hybrid Orbital-Field Matrix And Magpie Descriptors, Zhuo Cao, Yabo Dan, Zheng Xiong, Chengcheng Niu, Xiang Li, Songrong Qian, Jianjun Hu

Faculty Publications

Computational prediction of crystal materials properties can help to do large-scale in-silicon screening. Recent studies of material informatics have focused on expert design of multi-dimensional interpretable material descriptors/features. However, successes of deep learning such as Convolutional Neural Networks (CNN) in image recognition and speech recognition have demonstrated their automated feature extraction capability to effectively capture the characteristics of the data and achieve superior prediction performance. Here, we propose CNN-OFM-Magpie, a CNN model with OFM (Orbital-field Matrix) and Magpie descriptors to predict the formation energy of 4030 crystal material by exploiting the complementarity of two-dimensional OFM features and Magpie features. Experiments …