Physical Sciences and Mathematics Commons^™

Verifying Empirical Predictive Modeling Of Societal Vulnerability To Hazardous Events: A Monte Carlo Experimental Approach, Yi Victor Wang, Seung Hee Kim, Menas C. Kafatos

Institute for ECHO Articles and Research

With the emergence of large amounts of historical records on adverse impacts of hazardous events, empirical predictive modeling has been revived as a foundational paradigm for quantifying disaster vulnerability of societal systems. This paradigm models societal vulnerability to hazardous events as a vulnerability curve indicating an expected loss rate of a societal system with respect to a possible spectrum of intensity measure (IM) of an event. Although the empirical predictive models (EPMs) of societal vulnerability are calibrated on historical data, they should not be experimentally tested with data derived from field experiments on any societal system. Alternatively, in this paper, …

Towards Qos-Based Embedded Machine Learning, Tom Springer, Erik Linstead, Peiyi Zhao, Chelsea Parlett-Pelleriti

Engineering Faculty Articles and Research

Due to various breakthroughs and advancements in machine learning and computer architectures, machine learning models are beginning to proliferate through embedded platforms. Some of these machine learning models cover a range of applications including computer vision, speech recognition, healthcare efficiency, industrial IoT, robotics and many more. However, there is a critical limitation in implementing ML algorithms efficiently on embedded platforms: the computational and memory expense of many machine learning models can make them unsuitable in resource-constrained environments. Therefore, to efficiently implement these memory-intensive and computationally expensive algorithms in an embedded computing environment, innovative resource management techniques are required at the …

A Quantitative Validation Of Multi-Modal Image Fusion And Segmentation For Object Detection And Tracking, Nicholas Lahaye, Michael J. Garay, Brian D. Bue, Hesham El-Askary, Erik Linstead

Mathematics, Physics, and Computer Science Faculty Articles and Research

In previous works, we have shown the efficacy of using Deep Belief Networks, paired with clustering, to identify distinct classes of objects within remotely sensed data via cluster analysis and qualitative analysis of the output data in comparison with reference data. In this paper, we quantitatively validate the methodology against datasets currently being generated and used within the remote sensing community, as well as show the capabilities and benefits of the data fusion methodologies used. The experiments run take the output of our unsupervised fusion and segmentation methodology and map them to various labeled datasets at different levels of global …

Landscape-Based Mutational Sensitivity Cartography And Network Community Analysis Of The Sars-Cov-2 Spike Protein Structures: Quantifying Functional Effects Of The Circulating D614g Variant, Gennady M. Verkhivker, Steve Agajanian, Deniz Yasar Oztas, Grace Gupta

Mathematics, Physics, and Computer Science Faculty Articles and Research

We developed and applied a computational approach to simulate functional effects of the global circulating mutation D614G of the SARS-CoV-2 spike protein. All-atom molecular dynamics simulations are combined with deep mutational scanning and analysis of the residue interaction networks to investigate conformational landscapes and energetics of the SARS-CoV-2 spike proteins in different functional states of the D614G mutant. The results of conformational dynamics and analysis of collective motions demonstrated that the D614 site plays a key regulatory role in governing functional transitions between open and closed states. Using mutational scanning and sensitivity analysis of protein residues, we identified the stability …

Pitcher Effectiveness: A Step Forward For In Game Analytics And Pitcher Evaluation, Christopher Watkins, Vincent Berardi, Cyril Rakovski

Mathematics, Physics, and Computer Science Faculty Articles and Research

With the introduction of Statcast in 2015, baseball analytics have become more precise. Statcast allows every play to be accurately tracked and the data it generates is easily accessible through Baseball Savant, which opens the opportunity for improved performance statistics to be developed. In this paper we propose a new tool, Pitcher Effectiveness, that uses Statcast data to evaluate starting pitchers dynamically, based on the results of in-game outcomes after each pitch. Pitcher Effectiveness successfully predicts instances where starting pitchers give up several runs, which we believe make it a new and important tool for the in-game and post-game evaluation …

A High-Precision Machine Learning Algorithm To Classify Left And Right Outflow Tract Ventricular Tachycardia, Jianwei Zhang, Guohua Fu, Islam Abudayyeh, Magdi Yacoub, Anthony Chang, William Feaster, Louis Ehwerhemuepha, Hesham El-Askary, Xianfeng Du, Bin He, Mingjun Feng, Yibo Yu, Binhao Wang, Jing Liu, Hai Yao, Hulmin Chu, Cyril Rakovski

Mathematics, Physics, and Computer Science Faculty Articles and Research

Introduction: Multiple algorithms based on 12-lead ECG measurements have been proposed to identify the right ventricular outflow tract (RVOT) and left ventricular outflow tract (LVOT) locations from which ventricular tachycardia (VT) and frequent premature ventricular complex (PVC) originate. However, a clinical-grade machine learning algorithm that automatically analyzes characteristics of 12-lead ECGs and predicts RVOT or LVOT origins of VT and PVC is not currently available. The effective ablation sites of RVOT and LVOT, confirmed by a successful ablation procedure, provide evidence to create RVOT and LVOT labels for the machine learning model.

Methods: We randomly sampled training, validation, and testing …

Applications Of Machine Learning To Facilitate Software Engineering And Scientific Computing, Natalie Best

Computational and Data Sciences (PhD) Dissertations

The use of machine learning has risen in recent years, though many areas remain unexplored due to lack of data or lack of computational tools. This dissertation explores machine learning approaches in case studies involving image classification and natural language processing. In addition, a software library in the form of two-way bridge connecting deep learning models in Keras with ones available in the Fortran programming language is also presented.

In Chapter 2, we explore the applicability of transfer learning utilizing models pre-trained on non-software engineering data applied to the problem of classifying software unified modeling language diagrams where data is …

Coevolution, Dynamics And Allostery Conspire In Shaping Cooperative Binding And Signal Transmission Of The Sars-Cov-2 Spike Protein With Human Angiotensin-Converting Enzyme 2, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

Binding to the host receptor is a critical initial step for the coronavirus SARS-CoV-2 spike protein to enter into target cells and trigger virus transmission. A detailed dynamic and energetic view of the binding mechanisms underlying virus entry is not fully understood and the consensus around the molecular origins behind binding preferences of SARS-CoV-2 for binding with the angiotensin-converting enzyme 2 (ACE2) host receptor is yet to be established. In this work, we performed a comprehensive computational investigation in which sequence analysis and modeling of coevolutionary networks are combined with atomistic molecular simulations and comparative binding free energy analysis of …

Developing Employment Environments Where Individuals With Asd Thrive: Using Machine Learning To Explore Employer Policies And Practices, Amy Jane Griffiths, Amy E. Hurley Hanson, Cristina M. Giannantonio, Sneha Kohli Mathur, Kayleigh Hyde, Erik Linstead

Education Faculty Articles and Research

An online survey instrument was developed to assess employers’ perspectives on hiring job candidates with Autism Spectrum Disorder (ASD). The investigators used K-means clustering to categorize companies in clusters based on their hiring practices related to individuals with ASD. This methodology allowed the investigators to assess and compare the various factors of businesses that successfully hire employees with ASD versus those that do not. The cluster analysis indicated that company structures, policies and practices, and perceptions, as well as the needs of employers and employees, were important in determining who would successfully hire individuals with ASD. Key areas that require …

Exploring The Eating Disorder Examination Questionnaire, Clinical Impairment Assessment, And Autism Quotient To Identify Eating Disorder Vulnerability: A Cluster Analysis, Natalia Stewart Rosenfield, Erik Linstead

Engineering Faculty Articles and Research

Eating disorders are very complicated and many factors play a role in their manifestation. Furthermore, due to the variability in diagnosis and symptoms, treatment for an eating disorder is unique to the individual. As a result, there are numerous assessment tools available, which range from brief survey questionnaires to in-depth interviews conducted by a professional. One of the many benefits to using machine learning is that it offers new insight into datasets that researchers may not previously have, particularly when compared to traditional statistical methods. The aim of this paper was to employ k-means clustering to explore the Eating Disorder …

A Fortran-Keras Deep Learning Bridge For Scientific Computing, Jordan Ott, Mike Pritchard, Natalie Best, Erik Linstead, Milan Curcic, Pierre Baldi

Engineering Faculty Articles and Research

Implementing artificial neural networks is commonly achieved via high-level programming languages such as Python and easy-to-use deep learning libraries such as Keras. These software libraries come preloaded with a variety of network architectures, provide autodifferentiation, and support GPUs for fast and efficient computation. As a result, a deep learning practitioner will favor training a neural network model in Python, where these tools are readily available. However, many large-scale scientific computation projects are written in Fortran, making it difficult to integrate with modern deep learning methods. To alleviate this problem, we introduce a software library, the Fortran-Keras Bridge (FKB). This two-way …

Synergistic Use Of Remote Sensing And Modeling For Estimating Net Primary Productivity In The Red Sea With Vgpm, Eppley-Vgpm, And Cbpm Models Intercomparison, Wenzhao Li, Surya Prakash Tiwari, Hesham El-Askary, Mohamed Ali Qurban, Vassilis Amiridis, K. P. Manikandan, Michael J. Garay, Olga V. Kalashnikova, Thomas C. Piechota, Daniele C. Struppa

Mathematics, Physics, and Computer Science Faculty Articles and Research

Primary productivity (PP) has been recently investigated using remote sensing-based models over quite limited geographical areas of the Red Sea. This work sheds light on how phytoplankton and primary production would react to the effects of global warming in the extreme environment of the Red Sea and, hence, illuminates how similar regions may behave in the context of climate variability. study focuses on using satellite observations to conduct an intercomparison of three net primary production (NPP) models--the vertically generalized production model (VGPM), the Eppley-VGPM, and the carbon-based production model (CbPM)--produced over the Red Sea domain for the 1998-2018 time period. …

Image Restoration Using Automatic Damaged Regions Detection And Machine Learning-Based Inpainting Technique, Chloe Martin-King

Computational and Data Sciences (PhD) Dissertations

In this dissertation we propose two novel image restoration schemes. The first pertains to automatic detection of damaged regions in old photographs and digital images of cracked paintings. In cases when inpainting mask generation cannot be completely automatic, our detection algorithm facilitates precise mask creation, particularly useful for images containing damage that is tedious to annotate or difficult to geometrically define. The main contribution of this dissertation is the development and utilization of a new inpainting technique, region hiding, to repair a single image by training a convolutional neural network on various transformations of that image. Region hiding is also …

Identifying Depression In The National Health And Nutrition Examination Survey Data Using A Deep Learning Algorithm, Jihoon Oh, Kyongsik Yun, Uri Maoz, Tae-Suk Kim, Jeong-Ho Chae

Psychology Faculty Articles and Research

Background

As depression is the leading cause of disability worldwide, large-scale surveys have been conducted to establish the occurrence and risk factors of depression. However, accurately estimating epidemiological factors leading up to depression has remained challenging. Deep-learning algorithms can be applied to assess the factors leading up to prevalence and clinical manifestations of depression.

Methods

Customized deep-neural-network and machine-learning classifiers were assessed using survey data from 19,725 participants from the NHANES database (from 1999 through 2014) and 4949 from the South Korea NHANES (K-NHANES) database in 2014.

Results

A deep-learning algorithm showed area under the receiver operating characteristic curve (AUCs) …

Classifying Challenging Behaviors In Autism Spectrum Disorder With Neural Document Embeddings, Abigail Atchison

Computational and Data Sciences (MS) Theses

The understanding and treatment of challenging behaviors in individuals with Autism Spectrum Disorder is paramount to enabling the success of behavioral therapy; an essential step in this process being the labeling of challenging behaviors demonstrated in therapy sessions. These manifestations differ across individuals and within individuals over time and thus, the appropriate classification of a challenging behavior when considering purely qualitative factors can be unclear. In this thesis we seek to add quantitative depth to this otherwise qualitative task of challenging behavior classification. We do so through the application of natural language processing techniques to behavioral descriptions extracted from the …

Extending Set Functors To Generalised Metric Spaces, Adriana Balan, Alexander Kurz, Jiří Velebil

Mathematics, Physics, and Computer Science Faculty Articles and Research

For a commutative quantale V, the category V-cat can be perceived as a category of generalised metric spaces and non-expanding maps. We show that any type constructor T (formalised as an endofunctor on sets) can be extended in a canonical way to a type constructor T_V on V-cat. The proof yields methods of explicitly calculating the extension in concrete examples, which cover well-known notions such as the Pompeiu-Hausdorff metric as well as new ones.

Conceptually, this allows us to to solve the same recursive domain equation X ≅ TX in different categories (such as sets and metric spaces) and …

1h And 13c Nmr Assignments For (N-Methyl)-(−)-(Α)-Isosparteinium Iodide And (N-Methyl)-(−)-Sparteinium Iodide, Kavoos Kolahdouzan, O. Maduka Ogba, Daniel J. O'Leary

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

(‒)-Sparteine (1) and (–)-(α)-isosparteine (2) are members of the lupine alkaloid family.^[1-2] Sparteine has found extensive use in asymmetric organic transformations, including lithiations^[3] and Pd-catalyzed oxidations.^[4-7] (α)-Isosparteine, which can be made from sparteine, has been utilized as a chiral ligand for a limited number of stereoselective reactions.^[8-9] The two compounds differ in that 1 displays an exo-endo arrangement of the bridgehead hydrogens at C-11 and C-6, respectively, while 2 retains an exo-exo arrangement of these atoms (Figure 1). This study is focused on assigning 1H chemical shifts and coupling constants and 13C chemical shifts for N-methyl …

Automating Data Analysis For Two-Dimensional Gas Chromatography/Time-Of-Flight Mass Spectrometry Non-Targeted Analysis Of Comparative Samples, Ivan A. Titaley, O. Maduka Ogba, Leah Chibwe, Eunha Hoh, Paul H.-Y. Cheong, Staci L. Massey Simonich

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Non-targeted analysis of environmental samples, using comprehensive two‐dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC × GC/ToF-MS), poses significant data analysis challenges due to the large number of possible analytes. Non-targeted data analysis of complex mixtures is prone to human bias and is laborious, particularly for comparative environmental samples such as contaminated soil pre- and post-bioremediation. To address this research bottleneck, we developed OCTpy, a Python™ script that acts as a data reduction filter to automate GC × GC/ToF-MS data analysis from LECO^® ChromaTOF^® software and facilitates selection of analytes of interest based on peak area …

Optimized Forecasting Of Dominant U.S. Stock Market Equities Using Univariate And Multivariate Time Series Analysis Methods, Michael Schwartz

Computational and Data Sciences Theses

This dissertation documents an investigation into forecasting U.S. stock market equities via two very different time series analysis techniques: 1) autoregressive integrated moving average (ARIMA), and 2) singular spectrum analysis (SSA). Approximately 40% of the S&P 500 stocks are analyzed. Forecasts are generated for one and five days ahead using daily closing prices. Univariate and multivariate structures are applied and results are compared. One objective is to explore the hypothesis that a multivariate model produces superior performance over a univariate configuration. Another objective is to compare the forecasting performance of ARIMA to SSA, as SSA is a relatively recent development …

Preface To "Intertwingled: The Work And Influence Of Ted Nelson", Douglas R. Dechow, Daniele C. Struppa

Mathematics, Physics, and Computer Science Faculty Books and Book Chapters

This is the preface to "Intertwingled: The Work and Influence of Ted Nelson", which examines and honors the work and influence of the computer visionary and re-imagines its meaning for the future. Emerging from a conference held in 2014 at Chapman University, it includes contributions from world-renowned computer scientists and media figures.

The full text of this book is available on an open access basis at Springer.

The blog for the Intertwingled Conference can be read here.

High Performance Computing Markov Models Using Hadoop Mapreduce, Matthew Shaffer

e-Research: A Journal of Undergraduate Work

In this paper, I will explain how I used the probability modeling tool, Markov Models, in combination with Hadoop MapReduce parallel programming platform in order to quickly and efficiently analyses documents and create a probability model of them. I will explain what Markov Models are, give a brief overview of what MapReduce is, explain why Markov models can be used for document analysis, explain my code of the modeling program, and examine the performance of various MapReduce platforms and techniques in analyzing documents.

Using Mapreduce Streaming For Distributed Life Simulation On The Cloud, Atanas Radenski

Mathematics, Physics, and Computer Science Faculty Books and Book Chapters

Distributed software simulations are indispensable in the study of large-scale life models but often require the use of technically complex lower-level distributed computing frameworks, such as MPI. We propose to overcome the complexity challenge by applying the emerging MapReduce (MR) model to distributed life simulations and by running such simulations on the cloud. Technically, we design optimized MR streaming algorithms for discrete and continuous versions of Conway’s life according to a general MR streaming pattern. We chose life because it is simple enough as a testbed for MR’s applicability to a-life simulations and general enough to make our results applicable …

Interdependency Of Pharmacokinetic Parameters: A Chicken-And-Egg Problem? Not!, Reza Mehvar

Pharmacy Faculty Articles and Research

Pharmacokinetic (PK) software packages are widely used by scientists in different disciplines to estimate PK parameters. However, their use without a clear understanding of physiological parameters affecting the PK parameters and how different PK parameters are related to each other may result in erroneous interpretation of data. Often, mathematical relationships used for the estimation of PK parameters obscure the true physiological relationships among these parameters, prompting a discussion of which parameter came first and giving the appearance of the-chicken-and-the-egg dilemma. In this article, the author attempts to show how different PK parameters are related to physiological parameters and each other …