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Physical Sciences and Mathematics Commons

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Full-Text Articles in Physical Sciences and Mathematics

Modeling Of Groundwater Potential Using Cloud Computing Platform: A Case Study From Nineveh Plain, Northern Iraq, Ali Za. Al-Ozeer, Alaa M. Al-Abadi, Tariq Abed Hussain, Alan E. Fryar, Biswajeet Pradhan, Abdullah Alamri, Khairul Nizam Abdul Maulud Nov 2021

Modeling Of Groundwater Potential Using Cloud Computing Platform: A Case Study From Nineveh Plain, Northern Iraq, Ali Za. Al-Ozeer, Alaa M. Al-Abadi, Tariq Abed Hussain, Alan E. Fryar, Biswajeet Pradhan, Abdullah Alamri, Khairul Nizam Abdul Maulud

Earth and Environmental Sciences Faculty Publications

Knowledge of the groundwater potential, especially in an arid region, can play a major role in planning the sustainable management of groundwater resources. In this study, nine machine learning (ML) algorithms—namely, Artificial Neural Network (ANN), Decision Jungle (DJ), Averaged Perceptron (AP), Bayes Point Machine (BPM), Decision Forest (DF), Locally-Deep Support Vector Machine (LD-SVM), Boosted Decision Tree (BDT), Logistic Regression (LG), and Support Vector Machine (SVM)—were run on the Microsoft Azure cloud computing platform to model the groundwater potential. We investigated the relationship between 512 operating boreholes with a specified specific capacity and 14 groundwater-influencing occurrence factors. The unconfined aquifer in …


Algebraic Graph-Assisted Bidirectional Transformers For Molecular Property Prediction, Dong Chen, Kaifu Gao, Duc Duy Nguyen, Xin Chen, Yi Jiang, Guo-Wei Wei, Feng Pan Jun 2021

Algebraic Graph-Assisted Bidirectional Transformers For Molecular Property Prediction, Dong Chen, Kaifu Gao, Duc Duy Nguyen, Xin Chen, Yi Jiang, Guo-Wei Wei, Feng Pan

Mathematics Faculty Publications

The ability of molecular property prediction is of great significance to drug discovery, human health, and environmental protection. Despite considerable efforts, quantitative prediction of various molecular properties remains a challenge. Although some machine learning models, such as bidirectional encoder from transformer, can incorporate massive unlabeled molecular data into molecular representations via a self-supervised learning strategy, it neglects three-dimensional (3D) stereochemical information. Algebraic graph, specifically, element-specific multiscale weighted colored algebraic graph, embeds complementary 3D molecular information into graph invariants. We propose an algebraic graph-assisted bidirectional transformer (AGBT) framework by fusing representations generated by algebraic graph and bidirectional transformer, as well as …