Digital Commons Network^™

Demonstration Of Visible And Near Infrared Raman Spectrometers And Improved Matched Filter Model For Analysis Of Combined Raman Signals, Alexander Matthew Atkinson

Electrical & Computer Engineering Theses & Dissertations

Raman spectroscopy is a powerful analysis technique that has found applications in fields such as analytical chemistry, planetary sciences, and medical diagnostics. Recent studies have shown that analysis of Raman spectral profiles can be greatly assisted by use of computational models with achievements including high accuracy pure sample classification with imbalanced data sets and detection of ideal sample deviations for pharmaceutical quality control. The adoption of automated methods is a necessary step in streamlining the analysis process as Raman hardware becomes more advanced. Due to limits in the architectures of current machine learning based Raman classification models, transfer from pure …

Highly Accurate Fragment Library For Protein Fold Recognition, Wessam Elhefnawy

Computer Science Theses & Dissertations

Proteins play a crucial role in living organisms as they perform many vital tasks in every living cell. Knowledge of protein folding has a deep impact on understanding the heterogeneity and molecular functions of proteins. Such information leads to crucial advances in drug design and disease understanding. Fold recognition is a key step in the protein structure discovery process, especially when traditional computational methods fail to yield convincing structural homologies. In this work, we present a new protein fold recognition approach using machine learning and data mining methodologies.

First, we identify a protein structural fragment library (Frag-K) composed of a …

A Data-Driven Approach For Modeling Agents, Hamdi Kavak

Computational Modeling & Simulation Engineering Theses & Dissertations

Agents are commonly created on a set of simple rules driven by theories, hypotheses, and assumptions. Such modeling premise has limited use of real-world data and is challenged when modeling real-world systems due to the lack of empirical grounding. Simultaneously, the last decade has witnessed the production and availability of large-scale data from various sensors that carry behavioral signals. These data sources have the potential to change the way we create agent-based models; from simple rules to driven by data. Despite this opportunity, the literature has neglected to offer a modeling approach to generate granular agent behaviors from data, creating …