Numerical Analysis and Scientific Computing Commons^™

Designs Of Fullerene-Based Frameworks For Hydrogen Storage, Yi Gao, Xiaojun Wu, Xiao Cheng Zeng

Holland Computing Center: Faculty Publications

No abstract provided.

Designs Of Fullerene-Based Frameworks For Hydrogen Storage, Yi Gao, Xiaojun Wu, Xiao Cheng Zeng

Holland Computing Center: Faculty Publications

No abstract provided.

Functional Evolution Of Plp-Dependent Enzymes Based On Active-Site Structural Similarities, Jonathan Catazaro, Adam Caprez, Ashu Guru, David Swanson, Robert Powers

Holland Computing Center: Faculty Publications

Families of distantly related proteins typically have very low sequence identity, which hinders evolutionary analysis and functional annotation. Slowly evolving features of proteins, such as an active site, are therefore valuable for annotating putative and distantly related proteins. To date, a complete evolutionary analysis of the functional relationship of an entire enzyme family based on active-site structural similarities has not yet been undertaken. Pyridoxal-5’-phosphate (PLP) dependent enzymes are primordial enzymes that diversified in the last universal ancestor. Using the Comparison of Protein Active Site Structures (CPASS) software and database, we show that the active site structures of PLP-dependent enzymes can …

Detecting Click Fraud In Online Advertising: A Data Mining Approach, Richard Oentaryo, Ee Peng Lim, Michael Finegold, David Lo, Feida Zhu, Clifton Phua, Eng-Yeow Cheu, Ghim-Eng Yap, Kelvin Sim, Kasun Perera, Bijay Neupane, Mustafa Faisal, Zeyar Aung, Wei Lee Woon, Wei Chen, Dhaval Patel, Daniel Berrar

Research Collection School Of Computing and Information Systems

Click fraud - the deliberate clicking on advertisements with no real interest on the product or service offered - is one of the most daunting problems in online advertising. Building an elective fraud detection method is thus pivotal for online advertising businesses. We organized a Fraud Detection in Mobile Advertising (FDMA) 2012 Competition, opening the opportunity for participants to work on real-world fraud data from BuzzCity Pte. Ltd., a global mobile advertising company based in Singapore. In particular, the task is to identify fraudulent publishers who generate illegitimate clicks, and distinguish them from normal publishers. The competition was held from …

Nonlinear Development And Secondary Instability Of Traveling Crossflow Vortices, Fei Li, Meelan M. Choudhari, Lian Duan, Chau-Lyan Chang

Mechanical and Aerospace Engineering Faculty Research & Creative Works

Building upon the prior research targeting the laminar breakdown mechanisms associated with stationary crossflow instability over a swept-wing configuration, this paper investigates the secondary instability of traveling crossflow modes as an alternate scenario for transition. For the parameter range investigated herein, this alternate scenario is shown to be viable unless the initial amplitudes of the traveling crossflow instability are lower than those of the stationary modes by considerably more than one order of magnitude. The linear growth predictions based on the secondary instability theory are found to agree well with both parabolized stability equations and direct numerical simulation, and the …

Introduction To Parallel Computation, Clinton Mckay

Graduate Student Theses, Dissertations, & Professional Papers

Introduction to Parallel Computing is a course designed to educate students on how to use the parallel libraries and tools provided by modern operating systems and massively parallel computer graphics hardware.

Using a series of lectures and hands-on exercises. Students will learn about parallel algorithms and concepts that will aid them in analyzing a problem and constructing a parallel solution, if possible, using the tools available to their disposal.

The course consists of lectures, projects, quizzes, and homework. The combination of these components will deliver the necessary domain knowledge to students, test them, and in the process train them to …

Mobile Indoor Positioning For Augmented Reality Systems, Robert B. Glass

Theses and Dissertations

This thesis explores the creation and setup of a prototype that allows users of the device to interact within an indoor real world environment and a virtual environment simultaneously using high-tech common technology. The prototype is comprised of a small mobile device such as a cellular mobile phone, Raspberry Pi computer, a battery powered handheld Pico projector, and software developed for the Android OS. The software can easily be ported to other mobile and non-mobile operating systems. The mobile device must contain accelerometer, magnetometer, and gyroscope embedded sensors as well as 802.11 wireless network chip. The prototype software implements an …

Reading In Binary Data And Creating An R User Interface, Malika J. Onstad, Brett Amidan, Kimberly Freeman

STAR Program Research Presentations

The Bonneville Power Administration (BPA) employs Phasor Measurement Units (PMUs) to measure variables such as Voltage, Frequency, and Phasor Angles every sixtieth of a second. These measurements result in terabytes of data which are analyzed to detect abnormalities in the power grid. Recently BPA has switched the data file format from DST to PDAT. A function does not currently exist to read in PDAT files in order to prepare the data for analysis. In order to do this the raw PMU data must be sorted and extracted to ensure its accuracy prior to analysis. This research worked to produce a …

Cms Use Of A Data Federation, Kenneth A. Bloom, C.

Kenneth Bloom Publications

CMS is in the process of deploying an Xrootd based infrastructure to facilitate a global data federation. The services of the federation are available to export data from half the physical capacity and the majority of sites are configured to read data over the federation as a back-up. CMS began with a relatively modest set of use-cases for recovery of failed local file opens, debugging and visualization. CMS is finding that the data federation can be used to support small scale analysis and load balancing. Looking forward we see potential in using the federation to provide more flexibility in the …

Triply Differential (E,2e) Studies Of Phenol, Silva G. Da, R. F. Neves, L. Chiari, D. B. Jones, E. Ali, Don H. Madison, C. G. Ning, K. L. Nixon, M. C. Lopes, M. J. Brunger

Physics Faculty Research & Creative Works

We have measured (e,2e) triple differential cross sections (TDCS) for the electron-impact ionisation of phenol with coplanar asymmetrical kinematics for an incident electron energy of 250 eV. Experimental measurements of the angular distribution of the slow outgoing electrons at 20 eV are obtained when the incident electron scatters through angles of -5°, -10°, and -15°, respectively. The TDCS data are compared with calculations performed within the molecular 3-body distorted wave model. In this case, a mixed level of agreement, that was dependent on the kinematical condition being probed, was observed between the theoretical and experimental results in the binary peak …

Identifying Aging-Related Genes In Mouse Hippocampus Using Gateway Nodes, Kathryn Dempsey Cooper, Hesham Ali

Interdisciplinary Informatics Faculty Publications

Background: High-throughput studies continue to produce volumes of metadata representing valuable sources of information to better guide biological research. With a stronger focus on data generation, analysis models that can readily identify actual signals have not received the same level of attention. This is due in part to high levels of noise and data heterogeneity, along with a lack of sophisticated algorithms for mining useful information. Networks have emerged as a powerful tool for modeling high-throughput data because they are capable of representing not only individual biological elements but also different types of relationships en masse. Moreover, well-established graph …

Richardson Extrapolation-Based High Accuracy High Efficiency Computation For Partial Differential Equations, Ruxin Dai

Theses and Dissertations--Computer Science

In this dissertation, Richardson extrapolation and other computational techniques are used to develop a series of high accuracy high efficiency solution techniques for solving partial differential equations (PDEs).

A Richardson extrapolation-based sixth-order method with multiple coarse grid (MCG) updating strategy is developed for 2D and 3D steady-state equations on uniform grids. Richardson extrapolation is applied to explicitly obtain a sixth-order solution on the coarse grid from two fourth-order solutions with different related scale grids. The MCG updating strategy directly computes a sixth-order solution on the fine grid by using various combinations of multiple coarse grids. A multiscale multigrid (MSMG) method …

Computing Mountain Passes, Garret Bolton

All Master's Theses

There are many equations in the applied sciences whose solutions correspond to critical points of a function describing specific phenomenon. For example, molecules have a unique potential energy, and one stable conformation of a molecule can be thought of as a low point on a potential energy surface. Finding the mountain pass point between two confirmations of a molecule is analogous to finding the energy of a biological structure that is an intermediate conformation between two stable states. Mathematicians have developed theorems and abstract techniques to find these mountain pass points. However, using such approaches is often difficult, especially because …

Epistasis In Predator-Prey Relationships, Iuliia Inozemtseva

College of Graduate Studies: Theses & Dissertations

Epistasis is the interaction between two or more genes to control a single phenotype. We model epistasis of the prey in a two-locus two-allele problem in a basic predator- prey relationship. The resulting model allows us to examine both population sizes as well as genotypic and phenotypic frequencies. In the context of several numerical examples, we show that if epistasis results in an undesirable or desirable phenotype in the prey by making the particular genotype more or less susceptible to the predator or dangerous to the predator, elimination of undesirable phenotypes and then genotypes occurs.

Selection Of Step Size For Total Variation Minimization In Ct, Anna N. Yeboah

College of Graduate Studies: Theses & Dissertations

Medical image reconstruction by total variation minimization is a newly developed area in computed tomography (CT). In compressed sensing literature, it hasbeen shown that signals with sparse representations in an orthonormal basis may be reconstructed via l1-minimization. Furthermore, if an image can be approximately modeled to be piecewise constant, then its gradient is sparse. The application of l1-minimization to a sparse gradient, known as total variation minimization, may then be used to recover the image. In this paper, the steepest descent method is employed to update the approximation of the image. We propose a way to estimate an optimal step …

Crystallization In Nano-Confinement Seeded By A Nanocrystal -- A Molecular Dynamics Study, Heng Pan, Costas Grigoropoulos

Mechanical and Aerospace Engineering Faculty Research & Creative Works

Seeded crystallization and solidification in nanoscale confinement volumes have become an important and complex topic. Due to the complexity and limitations in observing nanoscale crystallization, computer simulation can provide valuable details for supporting and interpreting experimental observations. In this article, seeded crystallization from nano-confined liquid, as represented by the crystallization of a suspended gold nano-droplet seeded by a pre-existing gold nanocrystal seed, was investigated using molecular dynamics simulations in canonical (NVT) ensemble. We found that the crystallization temperature depends on nano-confinement volume, crystal orientation, and seed size as explained by classical two-sphere model and Gibbs-Thomson effect.

Scale-Up And On-Line Monitoring Of Gas-Solid Systems Using Advanced And Non-Invasive Measurement Techniques, Muthanna H. Al-Dahhan, Shreekanta Aradhya, Faraj Zaid, Neven Ali, Thaar Aljuwaya

Chemical and Biochemical Engineering Faculty Research & Creative Works

Industry relies on gas-solid systems for numerous processes. Flow dynamics play an important role in achieving the desired results. The present study proposes, validates and demonstrates a novel mechanistic scale-up approach based on maintaining similar radial profile or cross sectional distribution of gas holdup in two different gas-solid systems in order to achieve hydrodynamics similarity using advanced measurement techniques. This new methodology for scale-up and design has been implemented on gas-solid spouted bed which has been used for drying, granulation and coating. The development can be extrapolated to other gas-solid systems encountered in phosphate processes.

Online Portfolio Selection: A Survey, Bin Li, Steven C. H. Hoi

Research Collection School Of Computing and Information Systems

Online portfolio selection is a fundamental problem in computational finance, which has been extensively studied across several research communities, including finance, statistics, artificial intelligence, machine learning, and data mining. This article aims to provide a comprehensive survey and a structural understanding of online portfolio selection techniques published in the literature. From an online machine learning perspective, we first formulate online portfolio selection as a sequential decision problem, and then we survey a variety of state-of-the-art approaches, which are grouped into several major categories, including benchmarks, Follow-the-Winner approaches, Follow-the-Loser approaches, Pattern-Matching--based approaches, and Meta-Learning Algorithms. In addition to the problem formulation …

Hidden Markov Model With Information Criteria Clustering And Extreme Learning Machine Regression For Wind Forecasting, Dao Lam, Shuhui Li, Donald C. Wunsch

Electrical and Computer Engineering Faculty Research & Creative Works

This paper proposes a procedural pipeline for wind forecasting based on clustering and regression. First, the data are clustered into groups sharing similar dynamic properties. Then, data in the same cluster are used to train the neural network that predicts wind speed. For clustering, a hidden Markov model (HMM) and the modified Bayesian information criteria (BIC) are incorporated in a new method of clustering time series data. to forecast wind, a new method for wind time series data forecasting is developed based on the extreme learning machine (ELM). the clustering results improve the accuracy of the proposed method of wind …

Adaptive Resonance Theory And Diffusion Maps For Clustering Applications In Pattern Analysis, Donald C. Wunsch, David J. Morris, Rui Xu

Electrical and Computer Engineering Faculty Research & Creative Works

Adaptive Resonance is primarily a theory that learning is regulated by resonance phenomena in neural circuits. Diffusion maps are a class of kernel methods on edge-weighted graphs. While either of these approaches have demonstrated success in image analysis, their combination is particularly effective. These techniques are reviewed and some example applications are given.