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Full-Text Articles in Physical Sciences and Mathematics

Tools For Biomolecular Modeling And Simulation, Xin Yang Apr 2024

Tools For Biomolecular Modeling And Simulation, Xin Yang

Mathematics Theses and Dissertations

Electrostatic interactions play a pivotal role in understanding biomolecular systems, influencing their structural stability and functional dynamics. The Poisson-Boltzmann (PB) equation, a prevalent implicit solvent model that treats the solvent as a continuum while describes the mobile ions using the Boltzmann distribution, has become a standard tool for detailed investigations into biomolecular electrostatics. There are two primary methodologies: grid-based finite difference or finite element methods and body-fitted boundary element methods. This dissertation focuses on developing fast and accurate PB solvers, leveraging both methodologies, to meet diverse scientific needs and overcome various obstacles in the field.


Convolutional Neural Network-Based Gene Prediction Using Buffalograss As A Model System, Michael Morikone Nov 2023

Convolutional Neural Network-Based Gene Prediction Using Buffalograss As A Model System, Michael Morikone

Complex Biosystems PhD Program: Dissertations

The task of gene prediction has been largely stagnant in algorithmic improvements compared to when algorithms were first developed for predicting genes thirty years ago. Rather than iteratively improving the underlying algorithms in gene prediction tools by utilizing better performing models, most current approaches update existing tools through incorporating increasing amounts of extrinsic data to improve gene prediction performance. The traditional method of predicting genes is done using Hidden Markov Models (HMMs). These HMMs are constrained by having strict assumptions made about the independence of genes that do not always hold true. To address this, a Convolutional Neural Network (CNN) …


Mathematics Behind Machine Learning, Rim Hammoud Aug 2023

Mathematics Behind Machine Learning, Rim Hammoud

Electronic Theses, Projects, and Dissertations

Artificial intelligence (AI) is a broad field of study that involves developing intelligent
machines that can perform tasks that typically require human intelligence. Machine
learning (ML) is often used as a tool to help create AI systems. The goal of ML is
to create models that can learn and improve to make predictions or decisions based on given data. The goal of this thesis is to build a clear and rigorous exposition of the mathematical underpinnings of support vector machines (SVM), a popular platform used in ML. As we will explore later on in the thesis, SVM can be implemented …


Evaluating The Behaviour Of Centrally Perforated Unreinforced Masonry Walls: Applications Of Numerical Analysis, Machine Learning, And Stochastic Methods, Mohsen Khaleghi, Javid Salimi, Visar Farhangi, Mohammad Javad Moradi, Moses Karakouzian May 2022

Evaluating The Behaviour Of Centrally Perforated Unreinforced Masonry Walls: Applications Of Numerical Analysis, Machine Learning, And Stochastic Methods, Mohsen Khaleghi, Javid Salimi, Visar Farhangi, Mohammad Javad Moradi, Moses Karakouzian

Civil and Environmental Engineering and Construction Faculty Research

The presence of openings greatly affects the response of unreinforced masonry (URM) walls. This topic greatly attracts the attention of many researchers. Perforated unreinforced masonry (PURM) walls under in-plane loads through the truss discretization method (TDM) along with several machine learning approaches such as Multilayer perceptron (MLP), Group of Method Data Handling (GMDH), and Radial basis function (RBF) are described in this paper. A new method named Multi-pier (MP) that is fast and accurate, is used to determine the behavior of PURM walls. The results of the MP method are expressed as a ratio of lateral load-bearing capacity and initial …


Intra-Hour Solar Forecasting Using Cloud Dynamics Features Extracted From Ground-Based Infrared Sky Images, Guillermo Terrén-Serrano Apr 2022

Intra-Hour Solar Forecasting Using Cloud Dynamics Features Extracted From Ground-Based Infrared Sky Images, Guillermo Terrén-Serrano

Electrical and Computer Engineering ETDs

Due to the increasing use of photovoltaic systems, power grids are vulnerable to the projection of shadows from moving clouds. An intra-hour solar forecast provides power grids with the capability of automatically controlling the dispatch of energy, reducing the additional cost for a guaranteed, reliable supply of energy (i.e., energy storage). This dissertation introduces a novel sky imager consisting of a long-wave radiometric infrared camera and a visible light camera with a fisheye lens. The imager is mounted on a solar tracker to maintain the Sun in the center of the images throughout the day, reducing the scattering effect produced …


Toward Suicidal Ideation Detection With Lexical Network Features And Machine Learning, Ulya Bayram, William Lee, Daniel Santel, Ali Minai, Peggy Clark, Tracy Glauser, John Pestian Apr 2022

Toward Suicidal Ideation Detection With Lexical Network Features And Machine Learning, Ulya Bayram, William Lee, Daniel Santel, Ali Minai, Peggy Clark, Tracy Glauser, John Pestian

Northeast Journal of Complex Systems (NEJCS)

In this study, we introduce a new network feature for detecting suicidal ideation from clinical texts and conduct various additional experiments to enrich the state of knowledge. We evaluate statistical features with and without stopwords, use lexical networks for feature extraction and classification, and compare the results with standard machine learning methods using a logistic classifier, a neural network, and a deep learning method. We utilize three text collections. The first two contain transcriptions of interviews conducted by experts with suicidal (n=161 patients that experienced severe ideation) and control subjects (n=153). The third collection consists of interviews conducted by experts …


Camouflaged Poisoning Attack On Graph Neural Networks, Chao Jiang, Yi He, Richard Chapman, Hongyi Wu Jan 2022

Camouflaged Poisoning Attack On Graph Neural Networks, Chao Jiang, Yi He, Richard Chapman, Hongyi Wu

Computer Science Faculty Publications

Graph neural networks (GNNs) have enabled the automation of many web applications that entail node classification on graphs, such as scam detection in social media and event prediction in service networks. Nevertheless, recent studies revealed that the GNNs are vulnerable to adversarial attacks, where feeding GNNs with poisoned data at training time can lead them to yield catastrophically devastative test accuracy. This finding heats up the frontier of attacks and defenses against GNNs. However, the prior studies mainly posit that the adversaries can enjoy free access to manipulate the original graph, while obtaining such access could be too costly in …


Implementing A Neural Network For Supervised Learning With A Random Configuration Of Layers And Nodes, Kane A. Phillips Jan 2021

Implementing A Neural Network For Supervised Learning With A Random Configuration Of Layers And Nodes, Kane A. Phillips

Electronic Theses and Dissertations

Deep learning has a substantial amount of real-life applications, making it an increasingly popular subset of artificial intelligence over the last decade. These applications come to fruition due to the tireless research and implementation of neural networks. This paper goes into detail on the implementation of supervised learning neural networks utilizing MATLAB, with the purpose being to generate a neural network based on specifications given by a user. Such specifications involve how many layers are in the network, and how many nodes are in each layer. The neural network is then trained based on known sample values of a function …


Inference Of Surface Velocities From Oblique Time Lapse Photos And Terrestrial Based Lidar At The Helheim Glacier, Franklyn T. Dunbar Ii Jan 2021

Inference Of Surface Velocities From Oblique Time Lapse Photos And Terrestrial Based Lidar At The Helheim Glacier, Franklyn T. Dunbar Ii

Graduate Student Theses, Dissertations, & Professional Papers

Using time dependent observations derived from terrestrial LiDAR and oblique
time-lapse imagery, we demonstrate that a Bayesian approach to glacial motion es-
timation provides a concise way to incorporate multiple data products into a single
motion estimation procedure effectively producing surface velocity estimates with
an associated uncertainty. This approach brings both improved computational effi-
ciency, and greater scalability across observational time-frames when compared to
existing methods. To gauge efficacy, we apply these methods to a set of observa-
tions from the Helheim Glacier, a critical actor in contemporary mass loss trends
observed in the Greenland Ice Sheet. We find that …


Evaluating An Ordinal Output Using Data Modeling, Algorithmic Modeling, And Numerical Analysis, Martin Keagan Wynne Brown Jan 2020

Evaluating An Ordinal Output Using Data Modeling, Algorithmic Modeling, And Numerical Analysis, Martin Keagan Wynne Brown

Murray State Theses and Dissertations

Data and algorithmic modeling are two different approaches used in predictive analytics. The models discussed from these two approaches include the proportional odds logit model (POLR), the vector generalized linear model (VGLM), the classification and regression tree model (CART), and the random forests model (RF). Patterns in the data were analyzed using trigonometric polynomial approximations and Fast Fourier Transforms. Predictive modeling is used frequently in statistics and data science to find the relationship between the explanatory (input) variables and a response (output) variable. Both approaches prove advantageous in different cases depending on the data set. In our case, the data …


Singular Value Computation And Subspace Clustering, Qiao Liang Jan 2015

Singular Value Computation And Subspace Clustering, Qiao Liang

Theses and Dissertations--Mathematics

In this dissertation we discuss two problems. In the first part, we consider the problem of computing a few extreme eigenvalues of a symmetric definite generalized eigenvalue problem or a few extreme singular values of a large and sparse matrix. The standard method of choice of computing a few extreme eigenvalues of a large symmetric matrix is the Lanczos or the implicitly restarted Lanczos method. These methods usually employ a shift-and-invert transformation to accelerate the speed of convergence, which is not practical for truly large problems. With this in mind, Golub and Ye proposes an inverse-free preconditioned Krylov subspace method, …