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At least 1,495 records · Page 83

Characterization of Morphology using MAMA Software

The MAMA (Morphological Analysis for Material Attribution) software was developed at the Los Alamos National Laboratory funded through the National Technical Nuclear Forensics Center in the Department of Homeland Security. The software allows images to be analysed and quantified. The largest project I worked on was to quantify images of plutonium oxides and ammonium diuranates prepared by the group with the software and provide analyses on the particles of each sample. Images were quantified through MAMA, with a color analysis, a lexicon description and powder x-ray diffraction. Through this we were able to visually see a difference between some of the syntheses. An additional project was to revise the manual for MAMA to help streamline training and provide useful tips to users to more quickly become acclimated to using the software. The third project investigated expanding the scope of MAMA and finding a statistically relevant baseline for the particulates through the analysis of maps in the software and using known measurements to compare the error associated with the software. During this internship, I worked on several different projects dealing with the MAMA software. The revision of the usermanual for the MAMA software was the first project I was able to work and collaborate on. I first learned how to use the software by getting instruction from a skilled user at the laboratory, Dan Schwartz, and by using the existing user manual and examples. After becoming accustomed to the program, I started to go over the manual to correct and change items that were not as useful or descriptive as they could have been. I also added in tips that I learned as I explored the software. The updated manual was also worked on by several others who have been developing the program. The goal of these revisions was to ensure the most concise and simple directions to the software were available to future users. By incorporating tricks and shortcuts that I discovered and picked up from watching other users into the user guide, I believe that anyone who utilizes the software will be able to quickly understand the best way to analyze their image and use the tools the program offers to achieve useful results.

97 MATHEMATICS AND COMPUTING↗

Representing Small Commercial Building Faults in EnergyPlus, Part I: Model Development

Small commercial buildings (those with less than approximately 1000 m2 of total floor area) often do not have access to cost-effective automated fault detection and diagnosis (AFDD) tools for maintaining efficient building operations. AFDD tools based on machine-learning algorithms hold promise for lowering cost barriers for AFDD in small commercial buildings; however, such algorithms require access to high-quality training data that is often difficult to obtain. To fill the gap in this research area, this study covers the development (Part I) and validation (Part II) of fault models that can be used with the building energy modeling software EnergyPlus® and OpenStudio® to generate a cost-effective training data set for developing AFDD algorithms. Part I (this paper) presents a library of fault models, including detailed descriptions of each fault model structure and their implementation with EnergyPlus. This paper also discusses a case study of training data set generation, representing an actual building.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Leveraging Real-World Driving Data for Design and Impact Evaluation of Energy Efficient Control Strategies

Modeling and simulation are crucial in the development of advanced energy efficient control strategies. Utilizing real-world driving data as the underlying basis for control design and simulation lends veracity to projected real-world energy savings. Standardized drive cycles are limited in their utility for evaluating advanced driving strategies that utilize connectivity and on-vehicle sensing, primarily because they are typically intended for evaluating emissions and fuel economy under controlled conditions. Real-world driving data, because of its scale, is a useful representation of various road types, driving styles, and driving environments. The scale of real-world data also presents challenges in effectively using it in simulations. A fast and efficient simulation methodology is necessary to handle the large number of simulations performed for design analysis and impact evaluation of control strategies. In this study, two methods are presented of leveraging real-world data in both design optimization of energy efficient control strategies and in evaluating the real-world impact of those control strategies upon large-scale deployment. Through these methodologies, strategies with highest impact on energy savings were selected to be implemented as control algorithms. The developed algorithms were incorporated into a vehicle dynamics and powertrain control architecture implemented on a Cadillac CT6 demonstration vehicle. The control algorithms were then exercised on real-world driving scenarios to determine their impact on collective energy savings. The methodology utilizes the large-scale driving data sets maintained by the National Renewable Energy Laboratory to extract real-world driving scenarios and efficient simulation software tools. The insights obtained through this research help in guiding technology selection for energy efficient driving controls.

ARPA-E↗

Assessment of grid-friendly collective optimization framework for distributed energy resources

Distributed energy resources have the potential to provide services to facilities and buildings at lower cost and environmental impact in comparison to traditional electric-gridonly services. The reduced cost could result from a combination of higher system efficiency and exploitation of electricity tariff structures. Traditionally, electricity tariffs are designed to encourage the use of ‘off peak’ power and discourage the use of ‘onpeak’ power, although recent developments in renewable energy resources and distributed generation systems (such as their increasing levels of penetration and their increased controllability) are resulting in pressures to adopt tariffs of increasing complexity. Independently of the tariff structure, more or less sophisticated methods exist that allow distributed energy resources to take advantage of such tariffs, ranging from simple pre-planned schedules to Software-as-a-Service schedule optimization tools. However, as the penetration of distributed energy resources increases, there is an increasing chance of a ‘tragedy of the commons’ mechanism taking place, where taking advantage of tariffs for local benefit can ultimately result in degradation of service and higher energy costs for all. In this work, we use a scheduling optimization tool, in combination with a power distribution system simulator, to investigate techniques that could mitigate the deleterious effect of ‘selfish’ optimization, so that the high-penetration use of distributed energy resources to reduce operating costs remains advantageous while the quality of service and overall energy cost to the community is not affected.

Pensini, Alessandro↗

HEP Software Foundation Community White Paper Working Group – Visualization

In modern High Energy Physics (HEP) experiments visualization of experimental data has a key role in many activities and tasks across the whole data chain: from detector development to monitoring, from event generation to reconstruction of physics objects, from detector simulation to data analysis, and all the way to outreach and education. In this paper, the definition, status, and evolution of data visualization for HEP experiments will be presented. Suggestions for the upgrade of data visualization tools and techniques in current experiments will be outlined, along with guidelines for future experiments. This paper expands on the summary content published in the HSF \emph{Roadmap} Community White Paper~\cite{HSF-CWP-2017-01}

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Numerical methods and hypoexponential approximations for gamma distributed delay differential equations

Abstract Gamma distributed delay differential equations (DDEs) arise naturally in many modelling applications. However, appropriate numerical methods for generic gamma distributed DDEs have not previously been implemented. Modellers have therefore resorted to approximating the gamma distribution with an Erlang distribution and using the linear chain technique to derive an equivalent system of ordinary differential equations (ODEs). In this work, we address the lack of appropriate numerical tools for gamma distributed DDEs in two ways. First, we develop a functional continuous Runge–Kutta (FCRK) method to numerically integrate the gamma distributed DDE without resorting to Erlang approximation. We prove the fourth-order convergence of the FCRK method and perform numerical tests to demonstrate the accuracy of the new numerical method. Nevertheless, FCRK methods for infinite delay DDEs are not widely available in existing scientific software packages. As an alternative approach to solving gamma distributed DDEs, we also derive a hypoexponential approximation of the gamma distributed DDE. This hypoexponential approach is a more accurate approximation of the true gamma distributed DDE than the common Erlang approximation but, like the Erlang approximation, can be formulated as a system of ODEs and solved numerically using standard ODE software. Using our FCRK method to provide reference solutions, we show that the common Erlang approximation may produce solutions that are qualitatively different from the underlying gamma distributed DDE. However, the proposed hypoexponential approximations do not have this limitation. Finally, we apply our hypoexponential approximations to perform statistical inference on synthetic epidemiological data to illustrate the utility of the hypoexponential approximation.

97 MATHEMATICS AND COMPUTING↗

Hindsight logging for model training

In modern Machine Learning, model training is an iterative, experimental process that can consume enormous computation resources and developer time. To aid in that process, experienced model developers log and visualize program variables during training runs. Exhaustive logging of all variables is infeasible, so developers are left to choose between slowing down training via extensive conservative logging, or letting training run fast via minimalist optimistic logging that may omit key information. As a compromise, optimistic logging can be accompanied by program checkpoints; this allows developers to add log statements post-hoc, and "replay" desired log statements from checkpoint---a process we refer to as hindsight logging. Unfortunately, hindsight logging raises tricky problems in data management and software engineering. Done poorly, hindsight logging can waste resources and generate technical debt embodied in multiple variants of training code. In this paper, we present methodologies for efficient and effective logging practices for model training, with a focus on techniques for hindsight logging. Our goal is for experienced model developers to learn and adopt these practices. To make this easier, we provide an open-source suite of tools for Fast Low-Overhead Recovery (flor) that embodies our design across three tasks: (i) efficient background logging in Python, (ii) adaptive periodic checkpointing, and (iii) an instrumentation library that codifies hindsight logging for efficient and automatic record-replay of model-training. Model developers can use each flor tool separately as they see fit, or they can use flor in hands-free mode, entrusting it to instrument their code end-to-end for efficient record-replay. Our solutions leverage techniques from physiological transaction logs and recovery in database systems. Evaluations on modern ML benchmarks demonstrate that flor can produce fast checkpointing with small user-specifiable overheads (e.g. 7%), and still provide hindsight log replay times orders of magnitude faster than restarting training from scratch.

Computer Science↗

Award ER25750: Coordinated Infrastructure for Fault Tolerance Systems Indiana University Final Report

The main purpose of the Coordinated Infrastructure for Fault Tolerance in Systems initiative has been to conduct research with a goal of providing end-to-end fault tolerance on a systemwide basis for applications and other system software. While fault tolerance has been an integral part of most high-performance computing (HPC) system software developed over the past decade, it has been treated mostly as a collection of isolated stovepipes. Visibility and response to faults has typically been limited to the particular hardware and software subsystems in which they are initially observed. Little fault information is shared across subsystems, allowing little flexibility or control on a system-wide basis, making it practically impossible to provide cohesive end-to-end fault tolerance in support of scientific applications. As an example, consider faults such as communication link failures that can be seen by a network library but are not directly visible to the job scheduler, or consider faults related to node failures that can be detected by system monitoring software but are not inherently visible to the resource manager. If information about such faults could be shared by the network libraries or monitoring software, then other system software, such as a resource manager or job scheduler, could ensure that failed nodes or failed network links were excluded from further job allocations and that further diagnosis could be performed. As a founding member and one of the lead developers of the Open MPI project, our efforts over the course of this project have been focused on making Open MPI more robust to failures by supporting various fault tolerance techniques, and using fault information exchange and coordination between MPI and the HPC system software stack from the application, numeric libraries, and programming language runtime to other common system components such as jobs schedulers, resource managers, and monitoring tools.

97 MATHEMATICS AND COMPUTING↗

An Overview of the Monte Carlo Application ToolKit (MCATK)

MCATK is a C++ component-based Monte Carlo neutron-gamma transport software library designed to build specialized applications and designed to provide new functionality in existing general-purpose Monte Carlo codes like MCNP; it was developed with Agile software engineering methodologies under the motivation to reduce costs. The characteristics of MCATK can be summarized as follows: MCATK physics – continuous energy neutron-gamma transport with multi-temperature treatment, static eigenvalue (k and α) algorithms, time-dependent algorithm, fission chain algorithms; MCATK geometry – mesh geometries, solid body geometries. MCATK provides verified, unit-tested Monte Carlo components, flexibility in Monte Carlo applications development, and numerous tools such as geometry and cross section plotters. Recent work has involved deterministic and Monte Carlo analysis of stochastic systems. Static and dynamic analysis is discussed, and the results of a dynamic test problem are given.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

BEopt-CA (Ex) -- A Tool for Optimal Integration of EE/DR/ES+PV in Existing California Homes. Cooperative Research and Development Final Report, CRADA Number CRD-11-429

Opportunities for combining energy efficiency, demand response, and energy storage with PV are often missed, because the required knowledge and expertise for these different technologies exist in separate organizations or individuals. Furthermore, there is a lack of quantitative tools to optimize energy efficiency, demand response and energy storage with PV, especially for existing buildings. Our goal is to develop a modeling tool, BEopt-CA (Ex), with capabilities to facilitate identification and implementation of a balanced integration of energy efficiency (EE), demand response (DR), and energy storage (ES) with photovoltaics (PV) within the residential retrofit market. To achieve this goal, we will adapt and extend an existing tool -- BEopt -- that is designed to identify optimal combinations of efficiency and PV in new home designs. In addition, we will develop multifamily residential modeling capabilities for use in California, to facilitate integration of distributed solar power into the grid in order to maximize its value to California ratepayers. The project is follow-on research that leverages previous California Solar Initiative RD&D investment in the BEopt software. BEopt facilitates finding the least cost combination of energy efficiency and renewables to support integrated DSM (iDSM) and Zero Net Energy (ZNE) in California residential buildings. However, BEopt is currently focused on modeling single-family houses and does not include satisfactory capabilities for modeling multifamily homes. The project brings BEopt's existing modeling and optimization capabilities to multifamily buildings, including duplexes, triplexes, townhouses, flats, and low-rise apartment buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Eyes On the Ground: Year 2 Assessment.

The goal of the Eyes On the Ground project is to develop tools to aid IAEA inspectors. Our original vision was to produce a tool that would take three-dimensional measurements of an unknown piece of equipment, construct a semantic representation of the measured object, and then use the resulting data to infer possible explanations of equipment function. We report our tests of a 3-d laser scanner to obtain 3-d point cloud data, and subsequent tests of software to convert the resulting point clouds into primitive geometric objects such as planes and cylinders. These tests successfully identified pipes of moderate diameter and planar surfaces, but also incurred significant noise. We also investigated the IAEA inspector task context, and learned that task constraints may present significant obstacles to using 3-d laser scanners. We further learned that equipment scale and enclosing cases may confound our original goal of equipment diagnosis. Meanwhile, we also surveyed the rapidly evolving field of 3-d measurement technology, and identified alternative sensor modalities that may prove more suitable for inspector use in a safeguards context. We conclude with a detailed discussion of lessons learned and the resulting implications for project goals. Approved for public release; further dissemination unlimited.

47 OTHER INSTRUMENTATION↗

Decentralized Signal Processing and Distributed Control of Collaborative Autonomous Networks (17-ERD-101 LDRD Final Report)

Intelligent autonomous sensor networks, often comprised of large numbers of sensors, must be capable of jointly exploiting data collected at each agent in the network, and using that data to optimize their future actions towards multiple mission objectives. Centralized signal processing and optimization solutions process all data and determine all future actions at a single agent, and the resulting information and commands are disseminated back to the network. The communications bandwidth this requires and the single point of failure the central agent represents often make these solutions untenable for national security applications. In this project, several fundamental algorithms for solving both the decentralized signal processing and network optimization were developed, as well as simulation software to validate the results of these algorithms at scale. Specifically, novel algorithms for Bayesian decentralized estimation and decentralized detection and optimization based on the alternating direction method of multipliers (ADMM) were developed for autonomous sensor networks and published in the literature. The first large scale simulation of autonomous sensor networks (1000 agents) was conducted on this project, validating the performance of the developed algorithms. These algorithms and simulation tools are critical components of any decentralized autonomous network and have current and future national security applications, including distributed sensor networks for detection, estimation, and tracking problems, and large decentralized cyber-physical infrastructure such as the power grid.

42 ENGINEERING↗

Status of the phenomena representation, 3D modeling, and cloud-based software architecture development

Early in 2013, researchers at the Idaho National Laboratory outlined a technical framework to support the implementation of state-of-the-art probabilistic risk assessment to predict the safety performance of advanced small modular reactors. From that vision of the advanced framework for risk analysis, specific tasks have been underway in order to implement the framework. This report discusses the current development of a several tasks related to the framework implementation, including a discussion of a 3D physics engine that represents the motion of objects (including collision and debris modeling), cloud-based analysis tools such as a Bayesian-inference engine, and scenario simulations. These tasks were performed during 2015 as part of the technical work associated with the Advanced Reactor Technologies Program.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

3D Optical Coherence Tomography image processing in BISCAP: characterization of biofilm structure and properties

Abstract Motivation BISCAP is a state-of-the-art tool for automatically characterizing biofilm images obtained from Optical Coherence Tomography. Limited availability of other software tools is reported in the field. BISCAP’s first version processes 2D images only. Processing 3D images is a problem of greater scientific relevance since it deals with the entire structure of biofilms instead of their 2D slices. Results Building on the image-processing principles and algorithms proposed earlier for 2D images, these were adapted to the 3D case, and a more general implementation of BISCAP was developed. The primary goal concerns the extension of the initial methodology to incorporate the depth axis in 3D images; multiple improvements were also made to boost computational performance. The calculation of structural properties and visual outputs was extended to offer new insights into the 3D structure of biofilms. BISCAP was tested using 3D images of biofilms with different morphologies, consistently delivering accurate characterizations of 3D structures in a few minutes using standard laptop machines. Low user dependency is required for image analysis. Availability and implementation BISCAP is available from https://github.com/diogonarciso/BISCAP. All images used in the tutorials and the validation examples are available from https://web.fe.up.pt/∼fgm/biscap3d.

Narciso, Diogo A. C. (ORCID:0000000227767477)↗

BlendPATH (Blending Pipeline Analysis Tool for Hydrogen) [SWR-24-10]

BlendPATH provides case-by-case techno-economic analysis for potential projects where hydrogen is blended into a natural gas transmission pipeline. BlendPATH estimates 1) the transmission pipeline modifications and operating conditions necessary to blend hydrogen to a user specified volume faction of hydrogen in pipeline gas and 2) the incremental capital and operating expenses to prepare said transmission pipeline for hydrogen blending. BlendPATH is developed in Python and requires SAInt, a underlying commercial natural gas pipeline network modeling software, to run. Pipeline modification and operation condition estimation is guided by ASME B31.12. The intent of this software is to target application for projects in the initial project assessment stage and provide the user with the capability of assess promising opportunities before the use proceeds with further detailed pipeline evaluation based on a probable economic outcome.

Kee, Jamie↗

HEP-FCE Working Group on Libraries and Tools

The High-Energy Physics Forum for Computational Excellence (HEP-FCE) was formed by the Department of Energy as a follow-up to a recent report from the Topical Panel on Computing and the associated P5 recommendation. It is a pilot project distributed across the DOE Labs. During this initial incubation period the Forum is to develop a plan for a robust, long-term organization structure and a functioning web presence for forum activities and outreach, and a study of hardware and software needs across the HEP program. In the following sections we give this working group’s “vision” for aspects and qualities we wish to see in a future HEP-FCE. We then give a prioritized list of technical activities with suggested scoping and deliverables that can be expected to provide cross-experiment benefits. The remaining bulk of the report gives a technical survey of some specific “areas of opportunity” for cross-experiment benefit in the realm of software libs/tools. This survey serves as support for the vision and prioritized list. For each area we describe the ways that cross-experiment benefit is achieved today, as well as describe known failings or pitfalls where such benefit has failed to be achieved and which should be avoided in the future. For both cases, we try to give concrete examples. Each area then ends with an examination of what opportunities exist for improvements in that particular area.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

SAM User's Guide

The System Analysis Module (SAM) is a modern system analysis tool being developed at Argonne National Laboratory for advanced non-LWR safety analysis. It aims to provide fast-running, whole-plant transient analyses capability with improved-fidelity for Sodium-cooled Fast Reactors (SFR), Lead-cooled Fast Reactors (LFR), and Molten Salt Reactors (MSR) or Fluoride-cooled High-temperature Reactors (FHR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage the modern advanced software environments and numerical methods. This document provides a user’s guide, which will help users understand the input description and core capabilities of the SAM code. A brief overview of the code is presented, as well as how to obtain and run it. The input syntax for various parts of the code is provided. Additionally, a number of example problems, starting with simple unit component problems to problems with increasing complexity, are provided. Because the code is still under active development, this SAM User’s Guide will evolve with periodic updates.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Variable Precision Computing

This report summarizes the activities and major accomplishments of the Variable Precision Computing Strategic Initiative project. The overarching goal of this project was to initiate and promote a new paradigm in High Performance Computing (HPC) that would fundamentally change how we represent and make use of representations of real numbers in finite precision and that would establish Lawrence Livermore National Laboratory (LLNL) as a leader in precision-related research for HPC. We pursued three integrated and concurrent research thrusts: new, more dynamic data representations to address data motion and capacity limitations; improved mixed precision algorithms to accelerate computation and to leverage new hardware; and new tools to help developers reason about precision and to automate code transformations. Within these thrust areas, we made significant advances in the use of compressed array data types in numerical calculations, in the theoretical justification, in improved performance, and in the prospects of hardware implementation; in the development of metrics to significantly reduce the storage needs of molecular dynamics simulations; in the development and analysis of efficient mixed-precision algorithms for time-dependent partial differential equations and for orthogonal factorization; and in the capability of tools that can analyze sensitivity of computed results to choices in precision and that can make automated code transformations based on such analysis. We established that there are definite opportunities to realize significant improvements in HPC above and beyond the 2x limits of traditional mixed precision using the technologies we have developed. The project produced numerous papers, presentations, and posters in important venues as well as open-source software contributions to the community, and many of the new capabilities have initiated or are being leveraged in ongoing projects.

97 MATHEMATICS AND COMPUTING↗