9 Matching Results

Search Results

Advanced search parameters have been applied.
in creator/contributor: "Roe, Diana C."  
Results: 1 - 9
open access

Enumerating molecules.

Description: This report is a comprehensive review of the field of molecular enumeration from early isomer counting theories to evolutionary algorithms that design molecules in silico. The core of the review is a detail account on how molecules are counted, enumerated, and sampled. The practical applications of molecular enumeration are also reviewed for chemical information, structure elucidation, molecular design, and combinatorial library design purposes. This review is to appear as a chapter in Reviews … more
Date: April 1, 2004
Creator: Visco, Donald Patrick, Jr.; Faulon, Jean-Loup Michel & Roe, Diana C.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Scientific data analysis on data-parallel platforms.

Description: As scientific computing users migrate to petaflop platforms that promise to generate multi-terabyte datasets, there is a growing need in the community to be able to embed sophisticated analysis algorithms in the computing platforms' storage systems. Data Warehouse Appliances (DWAs) are attractive for this work, due to their ability to store and process massive datasets efficiently. While DWAs have been utilized effectively in data-mining and informatics applications, they remain largely unprove… more
Date: September 1, 2010
Creator: Ulmer, Craig D.; Bayer, Gregory W.; Choe, Yung Ryn & Roe, Diana C.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Scalable multi-correlative statistics and principal component analysis with Titan.

Description: This report summarizes existing statistical engines in VTK/Titan and presents the recently parallelized multi-correlative and principal component analysis engines. It is a sequel to [PT08] which studied the parallel descriptive and correlative engines. The ease of use of these parallel engines is illustrated by the means of C++ code snippets. Furthermore, this report justifies the design of these engines with parallel scalability in mind; then, this theoretical property is verified with test ru… more
Date: February 1, 2009
Creator: Thompson, David C.; Bennett, Janine C.; Roe, Diana C. & Pebay, Philippe Pierre
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Developing algorithms for predicting protein-protein interactions of homology modeled proteins.

Description: The goal of this project was to examine the protein-protein docking problem, especially as it relates to homology-based structures, identify the key bottlenecks in current software tools, and evaluate and prototype new algorithms that may be developed to improve these bottlenecks. This report describes the current challenges in the protein-protein docking problem: correctly predicting the binding site for the protein-protein interaction and correctly placing the sidechains. Two different and co… more
Date: January 1, 2006
Creator: Martin, Shawn Bryan; Sale, Kenneth L.; Faulon, Jean-Loup Michel & Roe, Diana C.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Understanding and engineering enzymes for enhanced biofuel production.

Description: Today, carbon-rich fossil fuels, primarily oil, coal and natural gas, provide 85% of the energy consumed in the United States. The release of greenhouse gases from these fuels has spurred research into alternative, non-fossil energy sources. Lignocellulosic biomass is renewable resource that is carbon-neutral, and can provide a raw material for alternative transportation fuels. Plant-derived biomass contains cellulose, which is difficult to convert to monomeric sugars for production of fuels. T… more
Date: January 1, 2009
Creator: Simmons, Blake Alexander; Volponi, Joanne V.; Sapra, Rajat; Faulon, Jean-Loup Michel; Buffleben, George M. & Roe, Diana C.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

OVIS 2.0 user%3CU%2B2019%3Es guide.

Description: This document describes how to obtain, install, use, and enjoy a better life with OVIS version 2.0. The OVIS project targets scalable, real-time analysis of very large data sets. We characterize the behaviors of elements and aggregations of elements (e.g., across space and time) in data sets in order to detect anomalous behaviors. We are particularly interested in determining anomalous behaviors that can be used as advance indicators of significant events of which notification can be made or up… more
Date: April 1, 2009
Creator: Mayo, Jackson R.; Gentile, Ann C.; Brandt, James M.; Thompson, David C.; Roe, Diana C.; Wong, Matthew H. et al.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

OVIS 3.2 user's guide.

Description: This document describes how to obtain, install, use, and enjoy a better life with OVIS version 3.2. The OVIS project targets scalable, real-time analysis of very large data sets. We characterize the behaviors of elements and aggregations of elements (e.g., across space and time) in data sets in order to detect meaningful conditions and anomalous behaviors. We are particularly interested in determining anomalous behaviors that can be used as advance indicators of significant events of which noti… more
Date: October 1, 2010
Creator: Mayo, Jackson R.; Gentile, Ann C.; Brandt, James M.; Houf, Catherine A.; Thompson, David C.; Roe, Diana C. et al.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

The OVIS analysis architecture.

Description: This report summarizes the current statistical analysis capability of OVIS and how it works in conjunction with the OVIS data readers and interpolators. It also documents how to extend these capabilities. OVIS is a tool for parallel statistical analysis of sensor data to improve system reliability. Parallelism is achieved using a distributed data model: many sensors on similar components (metaphorically sheep) insert measurements into a series of databases on computers reserved for analyzing th… more
Date: July 1, 2010
Creator: Mayo, Jackson R.; Gentile, Ann C.; Brandt, James M.; De Sapio, Vincent; Thompson, David C.; Roe, Diana C. et al.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

A framework for graph-based synthesis, analysis, and visualization of HPC cluster job data.

Description: The monitoring and system analysis of high performance computing (HPC) clusters is of increasing importance to the HPC community. Analysis of HPC job data can be used to characterize system usage and diagnose and examine failure modes and their effects. This analysis is not straightforward, however, due to the complex relationships that exist between jobs. These relationships are based on a number of factors, including shared compute nodes between jobs, proximity of jobs in time, etc. Graph-bas… more
Date: August 1, 2010
Creator: Mayo, Jackson R.; Kegelmeyer, W. Philip, Jr.; Wong, Matthew H.; Pebay, Philippe Pierre; Gentile, Ann C.; Thompson, David C. et al.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
Back to Top of Screen