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At least 595 records · Page 33

Software support for irregular and loosely synchronous problems

A large class of scientific and engineering applications may be classified as irregular and loosely synchronous from the perspective of parallel processing. We present a partial classification of such problems. This classification has motivated us to enhance FORTRAN D to provide language support for irregular, loosely synchronous problems. We present techniques for parallelization of such problems in the context of FORTRAN D.

Choudhary, A.↗

Labview Interface Concepts Used in NASA Scientific Investigations and Virtual Instruments

This article provides an overview of several software control applications developed for NASA using LabVIEW. The applications covered here include (1) an Ultrasonic Measurement System for nondestructive evaluation of advanced structural materials, an Xray Spectral Mapping System for characterizing the quality and uniformity of developing photon detector materials, (2) a Life Testing System for these same materials, (3) and the instrument panel for an aircraft mounted Cloud Absorption Radiometer that measures the light scattered by clouds in multiple spectral bands. Many of the software interface concepts employed are explained. Panel layout and block diagram (code) strategies for each application are described. In particular, some of the more unique features of the applications' interfaces and source code are highlighted. This article assumes that the reader has a beginner-to-intermediate understanding of LabVIEW methods.

Roth, Don J.↗

GPS Eye-in-the-Sky Software Takes Closer Look Below

At NASA, GPS is a vital resource for scientific research aimed at understanding and protecting Earth. The Agency employs the band of GPS satellites for such functions as mapping Earth s ionosphere and developing earthquake-prediction tools. Extending this worldly wisdom beyond Earth, NASA researchers are even discussing the possibility of developing global positioning satellites around Mars, in anticipation of future manned missions. Despite all of its terrestrial accomplishments, traditional GPS still has its limitations. The Space Agency is working to address these with many new advances, including a "Global Differential GPS" technology that instantaneously provides a position to within 4 inches horizontally and 8 inches vertically, anywhere on Earth. According to NASA's Jet Propulsion Laboratory, no other related system provides the same combination of accuracy and coverage. Furthermore, traditional GPS cannot communicate beyond latitudes of 75deg. That means that most of Greenland and Antarctica cannot receive GPS signals. The Global Differential GPS technology approaches this area of the world using several different GPS signals. These signals overlap to compensate for the gaps in coverage. Now, scientists working in the extreme northernmost and southernmost areas of the world can have access to the same GPS technology that other scientists around the world rely on.

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Constraint checking during error recovery

The system-level software onboard a spacecraft is responsible for recovery from communication, power, thermal, and computer-health anomalies that may occur. The recovery must occur without disrupting any critical scientific or engineering activity that is executing at the time of the error. Thus, the error-recovery software may have to execute concurrently with the ongoing acquisition of scientific data or with spacecraft maneuvers. This work provides a technique by which the rules that constrain the concurrent execution of these processes can be modeled in a graph. An algorithm is described that uses this model to validate that the constraints hold for all concurrent executions of the error-recovery software with the software that controls the science and engineering activities of the spacecraft. The results are applicable to a variety of control systems with critical constraints on the timing and ordering of the events they control.

Lutz, Robyn R.↗

Equation-based and data-driven modeling: Open-source software current state and future directions

Here, a review of current trends in scientific computing reveals a broad shift to open-source and higher-level programming languages such as Python and growing career opportunities over the next decade. Open-source modeling tools accelerate innovation in equation-based and data-driven applications. Significant resources have been deployed to develop data-driven tools (PyTorch, TensorFlow, Scikit-learn) from tech companies that rely on machine learning services to meet business needs while keeping the foundational tools open. Open-source equation-based tools such as Pyomo, CasADi, Gekko, and JuMP are also gaining momentum according to user community and development pace metrics. Integration of data-driven and principles-based tools is emerging. New compute hardware, productivity software, and training resources have the potential to radically accelerate progress. However, long-term support mechanisms are still necessary to sustain the momentum and maintenance of critical foundational packages.

97 MATHEMATICS AND COMPUTING↗

Supporting Weather Data

Since its founding in 1992, Global Science & Technology, Inc. (GST), of Greenbelt, Maryland, has been developing technologies and providing services in support of NASA scientific research. GST specialties include scientific analysis, science data and information systems, data visualization, communications, networking and Web technologies, computer science, and software system engineering. As a longtime contractor to Goddard Space Flight Center s Earth Science Directorate, GST scientific, engineering, and information technology staff have extensive qualifications with the synthesis of satellite, in situ, and Earth science data for weather- and climate-related projects. GST s experience in this arena is end-to-end, from building satellite ground receiving systems and science data systems, to product generation and research and analysis.

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NASA Software Cost Estimation Model: An Analogy Based Estimation Model

The cost estimation of software development activities is increasingly critical for large scale integrated projects such as those at DOD and NASA especially as the software systems become larger and more complex. As an example MSL (Mars Scientific Laboratory) developed at the Jet Propulsion Laboratory launched with over 2 million lines of code making it the largest robotic spacecraft ever flown (Based on the size of the software). Software development activities are also notorious for their cost growth, with NASA flight software averaging over 50% cost growth. All across the agency, estimators and analysts are increasingly being tasked to develop reliable cost estimates in support of program planning and execution. While there has been extensive work on improving parametric methods there is very little focus on the use of models based on analogy and clustering algorithms. In this paper we summarize our findings on effort/cost model estimation and model development based on ten years of software effort estimation research using data mining and machine learning methods to develop estimation models based on analogy and clustering. The NASA Software Cost Model performance is evaluated by comparing it to COCOMO II, linear regression, and K-­ nearest neighbor prediction model performance on the same data set.

Hihn, Jairus↗

Towards a Software Development Framework for Interconnected Science Ecosystems

The innovative science of the future must be multi-domain and interconnected to usher in the next generation of “self-driving” laboratories enabling consequential discoveries and transformative inventions. Such a disparate and interconnected ecosystem of scientific instruments will need to evolve using a system-of-systems (SoS) approach. The key to enabling application integration with such an SoS will be the use of Software Development Kits (SDKs). Currently, SDKs facilitate scientific research breakthroughs via algorithmic automation, databases and storage, optimization and structure, pervasive environmental monitoring, among others. However, existing SDKs lack instrument-interoperability and reusability capabilities, do not effectively work in an open federated architectural environment, and are largely isolated within silos of the respective scientific disciplines. Inspired by the scalable SoS framework, this work proposes the development of INTERSECT-SDK to provide a coherent environment for multi-domain scientific applications to benefit from the open federated architecture in an interconnected ecosystem of instruments. This approach will decompose functionality into loosely coupled software services for interoperability among several solutions that do not scale beyond a single domain and/or application. Furthermore, the proposed environment will allow operational and managerial inter-dependence while providing opportunities for the researchers to reuse software components from other domains and build universal solution libraries. We demonstrate this research for microscopy use-case, where we show how INTERSECT-SDK is developing the tools necessary to enable advanced scanning methods and accelerate scientific discovery.

Malviya, Addi Thakur↗

Validating system-level error recovery for spacecraft

The system-level software onboard a spacecraft is responsible for recovery from communication, thermal, power, and computer-health anomalies that may occur. The recovery must occur without disrupting any critical scientific or engineering activity that is executing at the time of the error. Thus, the error-recovery software may have to execute concurrently with the ongoing acquisition of scientific data or with spacecraft maneuvers. This paper provides a technique by which the rules that constrain the concurrent execution of these processes can be modeled in a graph. An algorithm is described that uses this model to validate that the constraints hold for all concurrent executions of the error-recovery softwave with the softwave that controls the science and engineering events on the spacecraft.

Lutz, Robyn R.↗

PHASM: A Toolkit for Creating AI Surrogate Models within Legacy Codebases

PHASM (“Parallel Hardware viA Surrogate Models”) is a software toolkit for creating AI-based surrogate models of scientific code. AI-based surrogate models are widely used for creating fast and inverse simulations. PHASM anticipates an additional future use case: adapting legacy code to modern hardware. While data centers are investing in heterogeneous hardware such as GPUs and FPGAs, many established scientific codebases remain unable to take advantage of the hardware’s higher parallelism without undergoing a costly rewrite. An alternative is to train a AI-based surrogate model to mimic computationally intensive functions in the code, and run the surrogate instead. PHASM formalizes a development lifecycle for such surrogate models, including discovering functions amenable to replacement with a surrogate model, predicting the resulting performance, identifying the function’s space of inputs and outputs, binding the model to the code, and managing model versions. A suite of software tools for facilitating these steps was written and validated against a set of model problems.

97 MATHEMATICS AND COMPUTING↗

ReMU: regional minimal updating for model-based derivative-free optimization

Derivative-free optimization (DFO) problems are optimization problems where derivative information is unavailable or extremely difficult to obtain. Model-based DFO solvers have been applied extensively in scientific computing. Powell's NEWUOA (2004) [Powell, The NEWUOA software for unconstrained optimization without derivatives, in Large-Scale Nonlinear Optimization, Nonconvex Optimization and its Applications Vol. 83, G. Di Pillo and M. Roma, eds., Springer, 2006, pp. 255–297] and Wild's POUNDerS (2014) [Wild, Solving derivative-free nonlinear least squares problems with POUNDERS, in Advances and Trends in Optimization with Engineering Applications, T. Terlaky, M.F. Anjos, and S. Ahmed, eds., SIAM, 2017, pp. 529–540] explore the numerical power of the minimal norm Hessian (MNH) model for DFO and contributed to the open discussion on building better models with fewer data to achieve faster numerical convergence. Another decade later, we propose the regional minimal updating (ReMU) models, and extend the previous models into a broader class, including the H 2 norm models [Xie and Yuan, Least H 2 norm updating of quadratic interpolation models for derivative-free trust-region algorithms, IMA J. Numer. Anal. 46 (2025), pp. 21–50]. This paper shows motivation behind ReMU models, computational details, theoretical and numerical results on particular extreme points and the barycentre of ReMU's weight coefficient region, and the associated KKT matrix error and distance. Novel metrics, such as the truncated Newton step error, are proposed to numerically understand the new models' properties. A new algorithmic strategy, based on iteratively adjusting the ReMU model type, is also proposed, and shows numerical advantages by combining and switching between the barycentric model and the classic least Frobenius norm model in an online fashion.

derivative-free trust-region methods↗

Provenance–aware workflow for data quality management and improvement for large continuous scientific data streams

Data quality assessment, management and improvement is integral part of any big data intensive scientific research to ensure accurate, reliable and reproducible science discoveries. The task of maintaining the quality of data, however, is non-trivial and pose a challenge for a program like Department of Energy’s Atmospheric Radiation Measurement (ARM) that collects data from hundreds of instruments across the world,and distributes thousands of streaming data products that are continuously growing in near-real-time in an archive 1.7 Petabyte in size and growing. We present a computational data processing workflow to collect the data quality issue via an easy and intuitive web-based portal that allows reporting of any quality issues for any site, facility or instruments at a granularity down to individual variable in the data files. Portal allows instrument specialists and scientists to provide corrective actions in form of symbolic equation. A parallel processing framework applies the data improvement to large volume of data in efficient parallel environment, while optimizing data transfer and file I/O operations. Corrected files are systematically versioned and archived. A provenance tracking module tracks and records any change made to the data during its entire life cycle which are communicated transparently to the scientific users. Developed in Python using open source technologies, software architecture enables efficient and fast management and improvement of data in an operational data center environment.

Kumar, Jitendra↗

GMctdospp: Description and validation of a CT dose calculation system

Purpose: To develop a Monte Carlo (MC)-based computed tomography (CT) dose estimation method with a graphical user interface with options to define almost arbitrary simulation scenarios, to make calculations sufficiently fast for comfortable handling, and to make the software free of charge for general availability to the scientific community. Methods: A framework called GMctdospp was developed to calculate phantom and patient doses with the MC method based on the EGSnrc system. A CT scanner was modeled for testing and was adapted to half-value layer, beam-shaping filter, z-profile, and tube-current modulation (TCM). To validate the implemented variance reduction techniques, depth-dose and cross-profile calculations of a static beam were compared against DOSXYZnrc/EGSnrc. Measurements for beam energies of 80 and 120 kVp at several positions of a CT dose-index (CTDI) standard phantom were compared against calculations of the created CT model. Finally, the efficiency of the adapted code was benchmarked against EGSnrc defaults. Results: The CT scanner could be modeled accurately. The developed TCM scheme was confirmed by the dose measurement. A comparison of calculations to DOSXYZnrc showed no systematic differences. Measurements in a CTDI phantom could be reproduced within 2% average, with a maximal difference of about 6%. Efficiency improvements of about six orders of magnitude were observed for larger organ structures of a chest-examination protocol in a voxelized phantom. In these cases, simulations took 25 s to achieve a statistical uncertainty of ∼0.5%. Conclusions: A fast dose-calculation system for phantoms and patients in a CT examination was developed, successfully validated, and benchmarked. Influences of scan protocols, protection method, and other issues can be easily examined with the developed framework.

60 APPLIED LIFE SCIENCES↗

MiniMOD

SAND2025-03854O MiniMod is a user-friendly software tool designed to assess the performance of high-performance computing (HPC) systems. Researchers can use the program to test communication methods and computational tasks to understand how different setups can affect application efficiency. This software is particularly useful for optimizing network performance in scientific research, simulations, and data analysis. MiniMod‘s flexible design allows users to make informed decisions about their computing environments, which can enhance productivity and results in real-world applications. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Dosanjh, Matthew [Sandia National Lab. (SNL-CA), L↗

SciDAC-Center for Plasma Edge Simulation Report

The Common Component Architecture (CCA) effort is the embodiment of a long-range program of research and development into the formulation, roles, and use of component technologies in high-performance scientific computing. CCA components can interoperate with other components in a variety of frameworks, including SCIRun2 from the University of Utah. The SCIRun2 framework is also developing the ability to connect components from a variety of different models through a mechanism called meta-components. The meta component model operates by providing a plugin architecture for component models. Abstract components are manipulated and managed by the SCIRun2 framework, while concrete component models perform the actual work and communicate with each other directly. We will leverage the SCIRun2 framework and the Kepler system to orchestrate components in the Fusion Simulation Project (FSP) and to provide a CCA-based interface with Kepler. The groundwork for this functionality is being performed with the Scientific Data Management center. The SDM center is developing CCA-compliant interfaces for expressing and executing workflows and create workflow components based on SCIRun and Ptolemy (Kepler) execution engines, including development of uniform interfaces for selecting, starting, and monitoring scientific workflows. Accomplishments include Introduction to CCA and Simulation Software Systems, Introduction into SCIRun2 and Bridging within SCIRun2, CCALoop: A scalable design for a distributed component framework, and Combining Workflow methodologies with Component Architectures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Reproducibility and Variability of I/O Performance on BG/Q: Lessons Learned from a Data Aggregation Algorithm

Reading and writing data efficiently from different tiers of storage is necessary for most scientific simulations to achieve good performance at scale. Many software solutions have been developed to decrease the I/O bottleneck. One wellknown strategy, in the context of collective I/O operations, is the two-phase I/O scheme. This strategy consists of selecting a subset of processes to aggregate contiguous pieces of data before performing reads/writes. In our previous work, we implemented the two-phase I/O scheme with a MPI-based topology-aware algorithm. Our algorithm showed very good performance at scale compared to the standard I/O libraries such as POSIX I/O and MPI I/O. However, the algorithm had several limitations hindering a satisfying reproducibility of our experiments. In this paper, we extend our work by 1) identifying the obstacles we face to reproduce our experiments and 2) discovering solutions that reduce the unpredictability of our results.

97 MATHEMATICS AND COMPUTING↗

Development of X-Ray FEL Oscillators with Higher Out-Coupling Efficiency

This program focused on the development of high-outcoupling efficiency resonators for x-ray free-electron laser oscillators (XFELOs). The goal was to produce a viable design for an XFELO that can be implemented on the LCLS-II which is the x-ray FEL facility under construction at the Stanford Linear Accelerator Center (SLAC). The program designed at regenerative amplifier (RAFEL) design that employs a high-gain undulator with a low-Q resonator with the goal of producing a scientific design for the RAFEL as well as a software suite that can be used to design XFELOs. The Phase I program considered a resonator consisting of six diamond Bragg reflectors/mirrors with two focusing lenses. This resonator was used in conjunction with the electron beam produced by the LCLS-II and the HXR undulator to design a RAFEL producing 3.05 keV photons in the fundamental resonance and 9.15 keV photons in the 3rd harmonic. The research program included the extension of the Optics Propagation Code (OPC) to describe Bragg reflection from diamond crystal mirrors and went on to use OPC, in conjunction with the MINERVA simulation code to treat the undulator interaction, to simulate the RAFEL. Simulations were conducted in both the steady-state and time-dependent regimes to determine the basic performance characteristics of the RAFEL.

43 PARTICLE ACCELERATORS↗