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Physical Sciences and Mathematics Commons

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Full-Text Articles in Physical Sciences and Mathematics

Machine Learning Approaches For Improving Prediction Performance Of Structure-Activity Relationship Models, Gabriel Idakwo Aug 2020

Machine Learning Approaches For Improving Prediction Performance Of Structure-Activity Relationship Models, Gabriel Idakwo

Dissertations

In silico bioactivity prediction studies are designed to complement in vivo and in vitro efforts to assess the activity and properties of small molecules. In silico methods such as Quantitative Structure-Activity/Property Relationship (QSAR) are used to correlate the structure of a molecule to its biological property in drug design and toxicological studies. In this body of work, I started with two in-depth reviews into the application of machine learning based approaches and feature reduction methods to QSAR, and then investigated solutions to three common challenges faced in machine learning based QSAR studies.

First, to improve the prediction accuracy of learning …


Edge-Cloud Iot Data Analytics: Intelligence At The Edge With Deep Learning, Ananda Mohon M. Ghosh May 2020

Edge-Cloud Iot Data Analytics: Intelligence At The Edge With Deep Learning, Ananda Mohon M. Ghosh

Electronic Thesis and Dissertation Repository

Rapid growth in numbers of connected devices, including sensors, mobile, wearable, and other Internet of Things (IoT) devices, is creating an explosion of data that are moving across the network. To carry out machine learning (ML), IoT data are typically transferred to the cloud or another centralized system for storage and processing; however, this causes latencies and increases network traffic. Edge computing has the potential to remedy those issues by moving computation closer to the network edge and data sources. On the other hand, edge computing is limited in terms of computational power and thus is not well suited for …


Conceptualization And Application Of Deep Learning And Applied Statistics For Flight Plan Recommendation, Nicholas C. Forrest Mar 2020

Conceptualization And Application Of Deep Learning And Applied Statistics For Flight Plan Recommendation, Nicholas C. Forrest

Theses and Dissertations

The Air Forces Pilot Training Next (PTN) program seeks a more efficient pilot training environment emphasizing the use of virtual reality flight simulators alongside periodic real aircraft experience. The PTN program wants to accelerate the training pace and progress in undergraduate pilot training compared to traditional undergraduate pilot training. Currently, instructor pilots spend excessive time planning and scheduling flights. This research focuses on methods to auto-generate the planning of in-flight events using hybrid filtering and deep learning techniques. The resulting approach captures temporal trends of user-specific and program-wide student performance to recommend a feasible set of graded flight events for …


Unitary And Symmetric Structure In Deep Neural Networks, Kehelwala Dewage Gayan Maduranga Jan 2020

Unitary And Symmetric Structure In Deep Neural Networks, Kehelwala Dewage Gayan Maduranga

Theses and Dissertations--Mathematics

Recurrent neural networks (RNNs) have been successfully used on a wide range of sequential data problems. A well-known difficulty in using RNNs is the vanishing or exploding gradient problem. Recently, there have been several different RNN architectures that try to mitigate this issue by maintaining an orthogonal or unitary recurrent weight matrix. One such architecture is the scaled Cayley orthogonal recurrent neural network (scoRNN), which parameterizes the orthogonal recurrent weight matrix through a scaled Cayley transform. This parametrization contains a diagonal scaling matrix consisting of positive or negative one entries that can not be optimized by gradient descent. Thus the …