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At least 1,333 records · Page 74

A Framework for Software Health Management Using Bayesian Statistics

Software Health Management (SWHM) must make sure that the software always remains in safe and healthy regions of the state space. Boundaries between healthy and unhealthy regions are important for the detection of violations and health management.In this position paper, we present a framework, which employs techniques from Bayesian statistical modeling and active learning to efficiently characterize health boundaries in high-dimensional spaces. We will discuss, how this framework supports SWHM during design time and during operation of learning/adapting software systems

software health management↗

TRACC: An open source software for processing sap flux data from thermal dissipation probes

Here, thermal dissipation probes (TDPs) have become a widely used method of monitoring plant water use in recent years. The use of TDPs requires calibration to a theoretical zero-flow value (ΔT0); usually based upon the assumption that at least some nighttime measurements represent zero-flow conditions. Fully automating the processing of data from TDPs is made exceedingly difficult due to errors arising from many sources. However, it is desirable to minimize variation arising from different researchers’ processing data, and thus, a common platform for processing data, including editing raw data and determination of ΔT0, is useful and increases the transparency and replicability of TDP-based research. Here, we present the TDP data processing software TRACC (Thermal dissipation Review Assessment Cleaning and Conversion) to serve this purpose. TRACC is an open-source software written in the language R, using graphical presentation of data and on screen prompts with yes/no or simple numerical responses. It allows the user to select several important options, such as calibration coefficients and the exclusion of nights when vapor pressure deficit does not approach zero. Although it is designed for users with no coding experience, the outputs of TRACC could be easily incorporated into more complex models or software.

60 APPLIED LIFE SCIENCES↗

An empirical investigation of organic software product lines

Abstract Software product line engineering is a best practice for managing reuse in families of software systems that is increasingly being applied to novel and emerging domains. In this work we investigate the use of software product line engineering in one of these new domains, synthetic biology. In synthetic biology living organisms are programmed to perform new functions or improve existing functions. These programs are designed and constructed using small building blocks made out of DNA. We conjecture that there are families of products that consist of common and variable DNA parts, and we can leverage product line engineering to help synthetic biologists build, evolve, and reuse DNA parts. In this paper we perform an investigation of domain engineering that leverages an open-source repository of more than 45,000 reusable DNA parts. We show the feasibility of these new types of product line models by identifying features and related artifacts in up to 93.5% of products, and that there is indeed both commonality and variability. We then construct feature models for four commonly engineered functions leading to product lines ranging from 10 to 7.5 × 10 20 products. In a case study we demonstrate how we can use the feature models to help guide new experimentation in aspects of application engineering. Finally, in an empirical study we demonstrate the effectiveness and efficiency of automated reverse engineering on both complete and incomplete sets of products. In the process of these studies, we highlight key challenges and uncovered limitations of existing SPL techniques and tools which provide a roadmap for making SPL engineering applicable to new and emerging domains.

97 MATHEMATICS AND COMPUTING↗

Experiential findings for sustainable software ecosystems to support experimental and observational science

In the search for a sustainable approach for software ecosystems that supports experimental and observational science (EOS) across Oak Ridge National Laboratory (ORNL), we conducted a survey to understand the current and future landscape of EOS software and data. This paper describes the survey design we used to identify significant areas of interest, gaps, and potential opportunities, followed by a discussion on the obtained responses. The survey formulates questions about project demographics, technical approach, and skills required for the present and the next five years. Here, the study was conducted among 38 ORNL participants between June and July of 2021 and followed the required guidelines for human subjects training. We plan to use the collected information to help guide a vision for sustainable, community-based, and reusable scientific software ecosystems that need to adapt effectively to: (i) the evolving landscape of heterogeneous hardware in the next generation of instruments and computing (e.g. edge, distributed, accelerators), and (ii) data management requirements for data-driven science using artificial intelligence.

97 MATHEMATICS AND COMPUTING↗

Livermore tomography tools: Accurate, fast, and flexible software for tomographic science

Livermore Tomography Tools (LTT) is a customizable scientific software package that enables a broad range of research and development efforts into computed tomography (CT). Here, it was developed to process x-ray and neutron CT data accurately and rapidly from raw detector counts to reconstructed volumes with the flexibility to handle many special cases. LTT fulfills long-term CT software goals to provide quantitatively accurate results reported in physical units (e.g., mm -1 or cm -1 ) while exploiting all available computational advantages to maximize speed. Written in C/C++ with support for multiple CPUs and GPUs, LTT runs on many computing platforms (Linux/Unix, Windows, and Mac; laptops to supercomputers). As a result, LTT can:process data acquired from various custom-built and commercially available CT scanners, model and simulate x-ray and neutron interactions to encourage algorithm prototyping, and allow for rapid insertion of the latest algorithms.We describe LTT’s software architecture, user interfaces, and its 88 algorithms (as of this writing) for pre-processing, reconstruction, post-processing, and simulation that support many scanner geometries (parallel-, fan-, cone-beam, and custom). Several applications are presented that illustrate LTT’s accuracy, speed, and flexibility relative to other solutions.

36 MATERIALS SCIENCE↗

Community-Driven Methods for Open and Reproducible Software Tools for Analyzing Datasets from Atom Probe Microscopy

Atom probe tomography, and related methods, probe the three-dimensional architecture of a material. The software tools that microscopists use, and how these tools are connected into workflows, makes a substantial contribution to the accuracy and precision of such a material characterization experiment. Typically, we adapt methods from other communities like mathematics, data science, computational geometry, artificial intelligence, or scientific computing. We also realize that improving on research data management is a challenge when it comes to align with the FAIR data stewardship principles. Faced with this global challenge, we are convinced that collaborating is useful. Here, we report the results and challenges with an inter-laboratory call for developing test cases for several types of atom probe software tools. The results support why defining detailed recipes of software workflows and sharing these recipes is necessary and rewarding: Open source tools and (meta)data exchange can help to make our day-to-day data processing tasks become more efficient, the training of new users and knowledge transfer become easier, and assist us with automated quantification of uncertainties to gain access to substantiated results.

36 MATERIALS SCIENCE↗

MixPI: Mixed-time slicing path integral software for quantized molecular dynamics simulations

We introduce the MixPI software to implement path integral molecular dynamics (PIMD) simulations for the study of condensed phase systems where nuclear quantum effects (NQEs) are important. In contrast to existing PIMD simulation software, MixPI enables the implementation of mixed quantum–classical path integral simulations where only a subset of system degrees of freedom (dofs) are treated quantum mechanically in an extended phase space while the remaining dofs are described classically. We expect this software to be particularly useful for simulations of electron and proton transfer in condensed phase systems, as well as for the study of biological and material systems where only a handful of dofs contribute significantly to the observed NQEs. We demonstrate the use of MixPI in two different systems. The first is a simple water model where we implement a set of mixed quantum–classical simulations to compute average energy and radial distribution functions. We use these simulations to benchmark the effectiveness of MixPI and to demonstrate how it enables systematic investigation into the origin of observed NQEs. We then compute radial distribution functions for a system where MixPI is essential: a solvated metal (M 2+ ) cation described using an explicit quantized electron localized on an M 3+ ion in water.

chemical physics↗

GridOPTICS(TM) A Novel Software Framework for Integrating Power Grid Data Storage, Management and Analysis

This paper describes the architecture and design of GridOPTICSTM, a novel software framework to integrate a collection of software tools developed by PNNL’s Future Power Grid Initiative (FPGI) into a coherent, powerful operations and planning tool for the power grid of the future. GridOPTICSTM enables plug-and-play of various analysis, modeling and visualization software tools for fast and accurate control of the power grid. To bridge the data access for different control purposes, GridOPTICSTM provides a scalable and thin layer of event processing that hides the complexity of data storage and management. The initial prototype of GridOPTICSTM was demonstrated with several use cases from PNNL’s FPGI.

GridOPTICS, power grid, software framework↗

GridOPTICS(TM): A Design for Plug-and-Play Smart Grid Software Architecture

As the smart grid becomes reality, software architectures for integrating legacy systems with new innovative approaches for grid management are needed. These architectures must exhibit flexibility, extensibility, interoperability and scalability. In this position paper, we describe our preliminary work to design such an architecture, known as GridOPTICS, that will enable the deployment and integration of new software tools in smart grid operations. Our preliminary design is based upon use cases from PNNL’s Future Power Grid Initiative, which is a developing a collection of advanced software technologies for smart grid management and control. We describe the motivations for GridOPTICS, and the preliminary design that we are currently prototyping for several distinct use cases.

Smart grid↗

Software-defined Quantum Communication Systems

We show how to extend the paradigm of software-defined communication to include quantum communication systems. We introduce the decomposition of a quantum communication terminal into layers separating the concerns of the hardware, software, and middleware. We provide detailed descriptions of how each component operates and we include results of an implementation of the super-dense coding protocol. We argue that the versatility of software-defined quantum communication test beds can be useful for exploring new regimes in communication and rapidly prototyping new systems.

entanglement↗

Controlling Combinatorial Complexity in Software and Malware Behavior Computation

Virtually all software is out of intellectual control in that no one knows its full behavior. Software Behavior Computation (SBC) is a new technology for understanding everything software does. SBC applies the mathematics of denotational semantics implemented by function composition in Functional Trace Tables (FTTs) to compute the behavior of programs, expressed as disjoint cases of conditional concurrent assignments. In some circumstances, combinatorial explosions in the number of cases can occur when calculating the behavior of sequences of multiple branching structures. This paper describes computational methods that avoid combinatorial explosions. The predicates that control branching structures such as ifthenelses can be organized into three categories: 1) Independent, resulting in no behavior case explosion, 2) Coordinated, resulting in two behavior cases, or 3) Goaloriented, with potential exponential growth in the number of cases. Traditional FTT-based behavior computation can be augmented by two additional computational methods, namely, Single-Value Function Abstractions (SVFAs) and, introduced in this paper, Relational Trace Tables (RTTs). These methods can be applied to the three predicate categories to avoid combinatorial growth in behavior cases while maintaining mathematical correctness.

Hyperion system↗

TuckerMPI: A Parallel C++/MPI Software Package for Large-scale Data Compression via the Tucker Tensor Decomposition

With this study, our goal is compression of massive-scale grid-structured data, such as the multi-terabyte output of a high-fidelity computational simulation. For such data sets, we have developed a new software package called TuckerMPI, a parallel C++/MPI software package for compressing distributed data. The approach is based on treating the data as a tensor, i.e., a multidimensional array, and computing its truncated Tucker decomposition, a higher-order analogue to the truncated singular value decomposition of a matrix. The result is a low-rank approximation of the original tensor-structured data. Compression efficiency is achieved by detecting latent global structure within the data, which we contrast to most compression methods that are focused on local structure. In this work, we describe TuckerMPI, our implementation of the truncated Tucker decomposition, including details of the data distribution and in-memory layouts, the parallel and serial implementations of the key kernels, and analysis of the storage, communication, and computational costs. We test the software on 4.5 and 6.7 terabyte data sets distributed across 100 s of nodes (1,000 s of MPI processes), achieving compression ratios between 100 and 200,000×, which equates to 99--99.999% compression (depending on the desired accuracy) in substantially less time than it would take to even read the same dataset from a parallel file system. Moreover, we show that our method also allows for reconstruction of partial or down-sampled data on a single node, without a parallel computer so long as the reconstructed portion is small enough to fit on a single machine, e.g., in the instance of reconstructing/visualizing a single down-sampled time step or computing summary statistics. The code is available at https://gitlab.com/tensors/TuckerMPI.

97 MATHEMATICS AND COMPUTING↗

The Benefits of a Software Bill of Materials Program at Nuclear Facilities

Software supply chain attacks are becoming increasingly more prevalent in both information communications technology and operational technology environments. Often, a supplier or other entity discloses vulnerability information about software components and subcomponents used in a digital asset, but an asset owner is unable to quickly ascertain if the vulnerable component is installed in their facility. The generation and use of a software bill of materials (SBOM) for installed digital assets can enable an asset owner to quickly identify if and where a component is used, allowing them to evaluate the risk and determine necessary risk treatments. The integration of an SBOM program into a nuclear facility not only improves vulnerability management and risk management processes, it also benefits asset and configuration management, cybersecurity, and supply chain programs. This paper reviews the U.S. Department of Energy Office of Nuclear Energy Cybersecurity Crosscutting Technology Development program’s work on integrating an SBOM program into a nuclear facility. It also provides a discussion on the benefits of such a program.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

SAPHIRE 8 Quality Assurance Software Metrics Report

The purpose of this review of software metrics is to examine the quality of the metrics gathered in the 2010 IV&V and to set an outline for results of updated metrics runs to be performed. We find from the review that the maintenance of accepted quality standards presented in the SAPHIRE 8 initial Independent Verification and Validation (IV&V) of April, 2010 is most easily achieved by continuing to utilize the tools used in that effort while adding a metric of bug tracking and resolution. Recommendations from the final IV&V were to continue periodic measurable metrics such as McCabe's complexity measure to ensure quality is maintained. The four software tools used to measure quality in the IV&V were CodeHealer, Coverage Validator, Memory Validator, Performance Validator, and Thread Validator. These are evaluated based on their capabilities. We attempted to run their latest revisions with the newer Delphi 2010 based SAPHIRE 8 code that has been developed and was successful with all of the Validator series of tools on small tests. Another recommendation from the IV&V was to incorporate a bug tracking and resolution metric. To improve our capability of producing this metric, we integrated our current web reporting system with the SpiraTest test management software purchased earlier this year to track requirements traceability.

97 MATHEMATICS AND COMPUTING↗

WildFire Ignition Resistance Estimator (WildFIRE) Wizard Software Development Report

This report describes the development of a software tool, entitled “WildFire Ignition Resistance Estimator Wizard” (WildFIRE Wizard, Version 2.10). This software was developed within the Wildfire Ignition Resistant Home Design (WIRHD) program, sponsored by the U. S. Department of Homeland Security, Science and Technology Directorate, Infrastructure Protection & Disaster Management Division. WildFIRE Wizard is a tool that enables homeowners to take preventive actions that will reduce their home’s vulnerability to wildfire ignition sources (i.e., embers, radiant heat, and direct flame impingement) well in advance of a wildfire event. This report describes the development of the software, its operation, its technical basis and calculations, and steps taken to verify its performance.

97 MATHEMATICS AND COMPUTING↗

Center for Scalable Application Development Software (Final Report)

The Center for Scalable Application Development Software (CScADS) was established as a part- nership between Rice University, Argonne National Laboratory, University of California Berkeley, University of Tennessee – Knoxville, and University of Wisconsin – Madison. CScADS pursued an integrated set of activities with the aim of increasing the productivity of DOE computational scientists by catalyzing the development of systems software, libraries, compilers, and tools for leadership computing platforms. Principal Center activities were workshops to engage the research community in the challenges of leadership computing, research and development of open-source software, and work with computational scientists to help them develop codes for leadership computing platforms. This final report summarizes CScADS activities at Rice University in these areas.

97 MATHEMATICS AND COMPUTING↗

Deep in Data: Empirical Data Based Software Accuracy Testing Using the Building America Field Data Repository

This paper describes progress toward developing a usable, standardized, empirical data-based software accuracy test suite using home energy consumption and building description data. Empirical data collected from around the United States have been translated into a uniform Home Performance Extensible Markup Language format that may enable software developers to create translators to their input schemes for efficient access to the data. This could allow for modeling many homes expediently, and thus implementing software accuracy test cases by applying the translated data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Solar Asset Management Software (Final Report)

Ra Power Management (RPM) has developed a cloud based software platform that manages the financial and operational functions of third party financed solar projects throughout their lifecycle. RPM’s software streamlines and automates the sales, financing, and management of a portfolio of solar assets. The software helps solar developers automate the most difficult aspects of asset management, leading to increased transparency, efficiency, and reduction in human error. More importantly, our platform will help developers save money by improving their operating margins

14 SOLAR ENERGY↗