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Vertex Weighted Spectral Clustering, Mohammad Masum Aug 2017

Vertex Weighted Spectral Clustering, Mohammad Masum

Electronic Theses and Dissertations

Spectral clustering is often used to partition a data set into a specified number of clusters. Both the unweighted and the vertex-weighted approaches use eigenvectors of the Laplacian matrix of a graph. Our focus is on using vertex-weighted methods to refine clustering of observations. An eigenvector corresponding with the second smallest eigenvalue of the Laplacian matrix of a graph is called a Fiedler vector. Coefficients of a Fiedler vector are used to partition vertices of a given graph into two clusters. A vertex of a graph is classified as unassociated if the Fiedler coefficient of the vertex is close to …


Application Of Symplectic Integration On A Dynamical System, William Frazier May 2017

Application Of Symplectic Integration On A Dynamical System, William Frazier

Electronic Theses and Dissertations

Molecular Dynamics (MD) is the numerical simulation of a large system of interacting molecules, and one of the key components of a MD simulation is the numerical estimation of the solutions to a system of nonlinear differential equations. Such systems are very sensitive to discretization and round-off error, and correspondingly, standard techniques such as Runge-Kutta methods can lead to poor results. However, MD systems are conservative, which means that we can use Hamiltonian mechanics and symplectic transformations (also known as canonical transformations) in analyzing and approximating solutions. This is standard in MD applications, leading to numerical techniques known as symplectic …


On T-Restricted Optimal Rubbling Of Graphs, Kyle Murphy May 2017

On T-Restricted Optimal Rubbling Of Graphs, Kyle Murphy

Electronic Theses and Dissertations

For a graph G = (V;E), a pebble distribution is defined as a mapping of the vertex set in to the integers, where each vertex begins with f(v) pebbles. A pebbling move takes two pebbles from some vertex adjacent to v and places one pebble on v. A rubbling move takes one pebble from each of two vertices that are adjacent to v and places one pebble on v. A vertex x is reachable under a pebbling distribution f if there exists some sequence of rubbling and pebbling moves that places a pebble on x. A pebbling distribution where every …


Roman Domination In Complementary Prisms, Alawi I. Alhashim May 2017

Roman Domination In Complementary Prisms, Alawi I. Alhashim

Electronic Theses and Dissertations

The complementary prism GG of a graph G is formed from the disjoint union of G and its complement G by adding the edges of a perfect match- ing between the corresponding vertices of G and G. A Roman dominating function on a graph G = (V,E) is a labeling f : V(G) → {0,1,2} such that every vertex with label 0 is adjacent to a vertex with label 2. The Roman domination number γR(G) of G is the minimum f(V ) = Σv∈V f(v) over all such functions of G. We study the Roman domination number of complementary prisms. …


Peptide Identification: Refining A Bayesian Stochastic Model, Theophilus Barnabas Kobina Acquah May 2017

Peptide Identification: Refining A Bayesian Stochastic Model, Theophilus Barnabas Kobina Acquah

Electronic Theses and Dissertations

Notwithstanding the challenges associated with different methods of peptide identification, other methods have been explored over the years. The complexity, size and computational challenges of peptide-based data sets calls for more intrusion into this sphere. By relying on the prior information about the average relative abundances of bond cleavages and the prior probability of any specific amino acid sequence, we refine an already developed Bayesian approach in identifying peptides. The likelihood function is improved by adding additional ions to the model and its size is driven by two overall goodness of fit measures. In the face of the complexities associated …


Differentiating Between A Protein And Its Decoy Using Nested Graph Models And Weighted Graph Theoretical Invariants, Hannah E. Green May 2017

Differentiating Between A Protein And Its Decoy Using Nested Graph Models And Weighted Graph Theoretical Invariants, Hannah E. Green

Electronic Theses and Dissertations

To determine the function of a protein, we must know its 3-dimensional structure, which can be difficult to ascertain. Currently, predictive models are used to determine the structure of a protein from its sequence, but these models do not always predict the correct structure. To this end we use a nested graph model along with weighted invariants to minimize the errors and improve the accuracy of a predictive model to determine if we have the correct structure for a protein.