Other Computer Sciences Commons^™

Characterizing The Vibrational Spectra Of Hydrogen Bonded Systems With Molecular Dynamics Simulations And Quantum Chemical Methods, Dalton Boutwell

Master of Science in Chemical Sciences Theses

We apply and assess the utility of DMD for the purpose of investigating complex spectral features in N₂H⁺···OC, N₂D⁺···OC, C₂O₄H^-, C₂O₄D^- and (HCOOH)₂. The proton transfer as a vibrational motion consists of diffuse qualities that can be accounted for with classical and quantum chemical analyses. Classical approaches yield a wealth of information about vibrational spectra at a reduced cost, as in the case of previously investigated N₄H⁺. The isoelectronic N₂H⁺···OC has …

Adapting An Agent-Based Model Of Infectious Disease Spread In An Irish County To Covid-19, Elizabeth Hunter, John D. Kelleher

Articles

The dynamics that lead to the spread of an infectious disease through a population can be characterized as a complex system. One way to model such a system, in order to improve preparedness, and learn more about how an infectious disease, such as COVID-19, might spread through a population, is agent-based epidemiological modelling. When a pandemic is caused by an emerging disease, it takes time to develop a completely new model that captures the complexity of the system. In this paper, we discuss adapting an existing agent-based model for the spread of measles in Ireland to simulate the spread of …

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 …

Examining Dimensions Of Patient Satisfaction With Telemedicine, Robert Garcia

College of Computing and Digital Media Dissertations

During the outbreak of the novel coronavirus (COVID-19) medical institutions and practitioners have drastically increased their adoption of telemedicine. The proliferation of telemedicine systems has sparked renewed interest among IS researchers in evaluating its usage. One of the main indicators used to measure the success of telemedicine services is patient satisfaction. Yet several problems exist with current methods used to evaluate telemedicine satisfaction. Patient satisfaction with telemedicine is frequently evaluated using either single question items or handmade instruments that are seldom assessed for validity. While telemedicine satisfaction is typically evaluated through single measures, satisfaction is considered a complex and multidimensional …

Identifying Optimal Course Structures Using Topic Models, Tehut Tesfaye Biru

Dartmouth College Undergraduate Theses

This research project investigates whether there exists an optimal way to structure topics in educational course content that results in higher levels of engagement among students. It is implemented by fitting topic models to transcripts of educational videos contained in the Khan Academy platform. The fitted models were used to extract topic trajectories across time for each video and subsequently clustered based on whether they have similar “shapes”. The differences in mean engagement metrics per cluster suggest that some course shapes are more palatable to students regardless of subject matter. Additionally, the topic trajectories suggest a constant progression of topics …

A Configurable Social Network For Running Irb-Approved Experiments, Mihovil Mandic

Dartmouth College Undergraduate Theses

Our world has never been more connected, and the size of the social media landscape draws a great deal of attention from academia. However, social networks are also a growing challenge for the Institutional Review Boards concerned with the subjects’ privacy. These networks contain a monumental variety of personal information of almost 4 billion people, allow for precise social profiling, and serve as a primary news source for many users. They are perfect environments for influence operations that are becoming difficult to defend against. Motivated to study online social influence via IRB-approved experiments, we designed and implemented a flexible, scalable, …

Impulse Method For Shallow Water Simulation, Evan Muscatel

Dartmouth College Undergraduate Theses

The Shallow Water Equations is a simple method to simulate fluid in real-time. As a real-time model, the SWE is an excellent candidate for use in video games. However, the model is not often used in most fluid simulations because it does not preserve vorticity well, and therefore does not look very realistic. We present an improvement on the Shallow Water Equations by using a gauge method to preserve the vorticity of the fluid. We add a variable called impulse !, which is only weakly coupled with the velocity " of the simulation. We show that using this impulse method, …

Interpreting Attention-Based Models For Natural Language Processing, Steven J. Signorelli Jr

Dartmouth College Undergraduate Theses

Large pre-trained language models (PLMs) such as BERT and XLNet have revolutionized the field of natural language processing (NLP). The interesting thing is that they are pre- trained through unsupervised tasks, so there is a natural curiosity as to what linguistic knowledge these models have learned from only unlabeled data. Fortunately, these models’ architectures are based on self-attention mechanisms, which are naturally interpretable. As such, there is a growing body of work that uses attention to gain insight as to what linguistic knowledge is possessed by these models. Most attention-focused studies use BERT as their subject, and consequently the field …

Promoting And Teaching Responsible Leadership In Software Engineering, Devender Goyal, Luiz Fernando Capretz

Electrical and Computer Engineering Publications

As software and computer technology is becoming more prominent and pervasive in all spheres of life, many researchers and industry folks are realizing the importance of teaching soft skills and values to CS and SE students. Many researchers and leaders, from both academic and non-academic world, are also calling for software researchers and practitioners to seriously consider human values, like respect, integrity, compassion, justice, and honesty when building software, both for greater social good and also for financial considerations. In this paper, we propose and wish to promote teaching soft skills, values, and responsibilities to students, which we term as …

A Survey Of Computer Graphics Facial Animation Methods: Comparing Traditional Approaches To Machine Learning Methods, Joseph A. Johnson

Master's Theses

Human communications rely on facial expression to denote mood, sentiment, and intent. Realistic facial animation of computer graphic models of human faces can be difficult to achieve as a result of the many details that must be approximated in generating believable facial expressions. Many theoretical approaches have been researched and implemented to create more and more accurate animations that can effectively portray human emotions. Even though many of these approaches are able to generate realistic looking expressions, they typically require a lot of artistic intervention to achieve a believable result. To reduce the intervention needed to create realistic facial animation, …

Advancing The Ability To Predict Cognitive Decline And Alzheimer’S Disease Based On Genetic Variants Beyond Amyloid-Beta And Tau, Naveen Rawat

Master's Projects

A growing amount of neurodegenerative R&D is focused on identifying genomic- based explanations of AD that are beyond Amyloid-b and Tau. The proposed effort involves identifying some of the genomic variations, such as single nucleotide polymorphisms (SNPs), allele , chromosome, epigenetic contributors to MCI and AD that are beyond Aβ and Tau.

The project involves building a prediction model based on a support vector machine (SVM) classifier that takes into account the genomic variations and epigenetic factors to predict the early stage of mild cognitive impairment (MCI) and Alzheimer disease (AD). To achieve this, picking up important feature sets which …

Pilltank, Lucas Chang, Hayden Tam, Aaron Teh, Krista Round

Electrical Engineering

Imagine an elderly family member, going through their daily routine of taking their pills. They find their pill box; however, they are having trouble identifying all the pills in there. Is there a name on the tablet? Can they read what it says? Do they just trust that the medication in their box is correct? How can they properly take care of themselves if they can not even confirm that what they are taking is the right medication? To combat this issue that many face, we present PillTank.

To decrease the risk of consuming the wrong medication, PillTank identifies the …

Hierarchical Scheduling For Real-Time Periodic Tasks In Symmetric Multiprocessing, Tom Springer, Peiyi Zhao

Engineering Faculty Articles and Research

In this paper, we present a new hierarchical scheduling framework for periodic tasks in symmetric multiprocessor (SMP) platforms. Partitioned and global scheduling are the two main approaches used by SMP based systems where global scheduling is recommended for overall performance and partitioned scheduling is recommended for hard real-time performance. Our approach combines both the global and partitioned approaches of traditional SMP-based schedulers to provide hard real-time performance guarantees for critical tasks and improved response times for soft real-time tasks. Implemented as part of VxWorks, the results are confirmed using a real-time benchmark application, where response times were improved for soft …

Computational Analysis Of Protein Stability And Allosteric Interaction Networks In Distinct Conformational Forms Of The Sars Cov 2 Spike D614g Mutant: Reconciling Functional Mechanisms Through Allosteric Model Of Spike Regulation, Gennady M. Verkhivker, Steve Agajanian, Deniz Oztas, Grace Gupta

Mathematics, Physics, and Computer Science Faculty Articles and Research

In this study, we used an integrative computational approach to examine molecular mechanisms underlying functional effects of the D614G mutation by exploring atomistic modeling of the SARS-CoV-2 spike proteins as allosteric regulatory machines. We combined coarse-grained simulations, protein stability and dynamic fluctuation communication analysis with network-based community analysis to examine structures of the native and mutant SARS-CoV-2 spike proteins in different functional states. Through distance fluctuations communication analysis, we probed stability and allosteric communication propensities of protein residues in the native and mutant SARS-CoV-2 spike proteins, providing evidence that the D614G mutation can enhance long-range signaling of the allosteric spike …

Convolutional Neural Networks For Deflate Data Encoding Classification Of High Entropy File Fragments, Nehal Ameen

LSU New Orleans Theses and Dissertations

Data reconstruction is significantly improved in terms of speed and accuracy by reliable data encoding fragment classification. To date, work on this problem has been successful with file structures of low entropy that contain sparse data, such as large tables or logs. Classifying compressed, encrypted, and random data that exhibit high entropy is an inherently difficult problem that requires more advanced classification approaches. We explore the ability of convolutional neural networks and word embeddings to classify deflate data encoding of high entropy file fragments after establishing ground truth using controlled datasets. Our model is designed to either successfully classify file …

The Kati Module System: Modular Design For Delivering Character Focused Dialogue In Games, Stephen J. Marcel

LSU New Orleans Theses and Dissertations

The Kati Module System is an interconnected set of programming modules intended to facilitate dynamic text authoring for interactive experiences (for example, games). It is a long-standing goal for interactive experiences to dynamically adapt their textual output based on the user or player's choices and predilections, but to account for this vast possibility space requires an amount of authoring that is frequently untenable, especially for small studios. Advances in machine learning have produced incredible progress in the field of Natural Language Generation (NLG). Though this produces impressive surface level text, it does so without an internal representation that can be …

Machine Learning For Terminal Procedure Chart Change Detection, Anthony M. Marchiafava

LSU New Orleans Theses and Dissertations

Terminal Procedure Charts are a constantly updated and necessary tool for aircraft personnel to approach and take off from airport runways safely. Detecting changes within these charts is a time-consuming and laborious process. Here machine learning techniques were used to predict regions of change in charts based on detecting the charts image regions and comparing features extracted from those regions. Outlined are methodologies to detect differences between two separate charts to produce images with changed regions clearly indicated. Both more conventional computer vision and machine learning techniques were applied. For images with minor shifts, the proposed model is able to …

Clickbait Detection In Youtube Videos, Ruchira Gothankar

Master's Projects

YouTube videos often include captivating descriptions and intriguing thumbnails designed to increase the number of views, and thereby increase the revenue for the person who posted the video. This creates an incentive for people to post clickbait videos, in which the content might deviate significantly from the title, description, or thumbnail. In effect, users are tricked into clicking on clickbait videos. In this research, we consider the challenging problem of detecting clickbait YouTube videos. We experiment with logistic regression, random forests, and multilayer perceptrons, based on a variety of textual features. We obtain a maximum accuracy in excess of 94%.

Spaceflight And The Differential Gene Expression Of Human Stem Cell-Derived Cardiomyocytes, Eugenie Zhu

Master's Projects

The National Aeronautics and Space Administration (NASA) has performed many experiments on the International Space Station (ISS) to further understand how conditions in space can affect life on Earth. This project analyzed GLDS-258, a gene set from NASA’s GeneLab repository which examines the impact of microgravity on human induced pluripotent stem-cell-derived cardiomyocytes (hiPSC-CMs). While many datasets have been run through NASA’s RNA-Seq Consensus Pipeline (RCP) to study differential gene expression in space, a Homo sapiens dataset has yet to be analyzed using the RCP. The aim of this project was to run the first Homo sapiens dataset, GLDS-258, through the …

Prediction Of Financial Capacity Using Diffusion Compartment Imaging, Lok Yi Tai

Master's Projects

Financial Capacity (FC) is the ability to manage one’s financial affairs, which is essential for autonomy and independence particularly for aging adults. Since dementia develops gradually, it is often difficult to detect the early signs that this cognitive dysfunction is developing This project aims to use Neurite orientation dispersion and density imaging (NODDI) to identify the white matter tracts that are associated with FC. Diffusion Tensor Images (DTI) and T1 Magnetic Resonance Images (MRI) of 18 Alzheimer’s Disease (AD) subjects, 47 Mild Cognitive Impaired (MCI) subjects, and 193 healthy control (CN) are compared to neuropsychological tests. Orientation Dispersion Index (ODI) …