UHURU advanced studies and guest investigator program
Various aspects of the UHURU program are discussed including satellite operations, software development, data analysis, and scientific research.
Giacconi, R.↗
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Trajectory, atmosphere, and wind reconstruction from Viking entry measurements
During Mars entry, each Viking Lander will collect and send to earth large quantities of measurement data, both scientific and engineering in nature. Software has been developed to statistically process this and other data in order to reconstruct, for mission support purposes, the entry trajectory, an 'engineering' atmosphere, and a wind profile. Procedures are described for processing limited amounts of the available data in such a manner that the maximum amount of information can be extracted therefrom, consistent with program design, response requirements, and mission operations constraints. Results of observability studies and simulations indicate that accuracy requirements will be met.
Hopper, F. W.↗
Statistical analysis of trigonometric parallaxes
The present project was initiated with two specific medium-term goals: first, to develop a novel approach, based on global modeling and maximum likelihood, to the study of databases of stellar data, with specific attention to the results to be obtained by the Hipparcos mission; and second, to apply and test the methodology developed to existing ground-based data. The long-term goal was of course to integrate the methodology and the ground-based data into a global study of the results of the Hipparcos mission, which were expected to be made available in 1995 or 1996. The closing of the project is due to the recent change of home institution of the PI, who has moved from the University of Illinois to Johns Hopkins University. As a consequence of this move, the three scientists involved in this project will be in close proximity, thereby hopefully improving their ability to collaborate and increasing the productivity of the project. Continued funding for the project has been requested from Johns Hopkins University. This report describes briefly the results obtained so far both on the technical aspect of software development and on the scientific side of applications to existing ground-based data. Significant progress has been made on both counts, with several papers published in (or submitted to) refereed journals and in conference proceedings. Because it is hoped that the project can be successfully continued with NASA support, the report of the progress in each area includes also an assessment of how the current results fit in the expected continuation of the project. Our results to date include: code development (essentially completed); a detailed study of the kinematics and dynamics of stars escaping from the Hyades cluster, relevant to the question of membership in the Hyades; a study of the kinematics and luminosity calibration of nearby dwarfs; an assessment of the quality of the photometry included in the Hipparcos Input Catalog; and two studies of properties of nearby clusters, including a moving-cluster determination of the distance to Praesepe. The bibliography includes three papers submitted to refereed journals, two of which have already been published, and four contributions to conference proceedings. Finally, the work so far has also provided a very good introduction to stellar dynamics and astrometry for an undergraduate student, with educational benefits that had not been foreseen in the original proposal.
Casertano, Stefano↗
Environmental Assessment and Monitoring with ICAMS (Image Characterization and Modeling System) Using Multiscale Remote-Sensing Data
With the rapid increase in spatial data, especially in the NASA-EOS (Earth Observing System) era, it is necessary to develop efficient and innovative tools to handle and analyze these data so that environmental conditions can be assessed and monitored. A main difficulty facing geographers and environmental scientists in environmental assessment and measurement is that spatial analytical tools are not easily accessible. We have recently developed a remote sensing/GIS software module called Image Characterization and Modeling System (ICAMS) to provide specialized spatial analytical tools for the measurement and characterization of satellite and other forms of spatial data. ICAMS runs on both the Intergraph-MGE and Arc/info UNIX and Windows-NT platforms. The main techniques in ICAMS include fractal measurement methods, variogram analysis, spatial autocorrelation statistics, textural measures, aggregation techniques, normalized difference vegetation index (NDVI), and delineation of land/water and vegetated/non-vegetated boundaries. In this paper, we demonstrate the main applications of ICAMS on the Intergraph-MGE platform using Landsat Thematic Mapper images from the city of Lake Charles, Louisiana. While the utilities of ICAMS' spatial measurement methods (e.g., fractal indices) in assessing environmental conditions remain to be researched, making the software available to a wider scientific community can permit the techniques in ICAMS to be evaluated and used for a diversity of applications. The findings from these various studies should lead to improved algorithms and more reliable models for environmental assessment and monitoring.
Lam, N.↗
User Interface Technology for Formal Specification Development
Formal specification development and modification are an essential component of the knowledge-based software life cycle. User interface technology is needed to empower end-users to create their own formal specifications. This paper describes the advanced user interface for AMPHION1 a knowledge-based software engineering system that targets scientific subroutine libraries. AMPHION is a generic, domain-independent architecture that is specialized to an application domain through a declarative domain theory. Formal specification development and reuse is made accessible to end-users through an intuitive graphical interface that provides semantic guidance in creating diagrams denoting formal specifications in an application domain. The diagrams also serve to document the specifications. Automatic deductive program synthesis ensures that end-user specifications are correctly implemented. The tables that drive AMPHION's user interface are automatically compiled from a domain theory; portions of the interface can be customized by the end-user. The user interface facilitates formal specification development by hiding syntactic details, such as logical notation. It also turns some of the barriers for end-user specification development associated with strongly typed formal languages into active sources of guidance, without restricting advanced users. The interface is especially suited for specification modification. AMPHION has been applied to the domain of solar system kinematics through the development of a declarative domain theory. Testing over six months with planetary scientists indicates that AMPHION's interactive specification acquisition paradigm enables users to develop, modify, and reuse specifications at least an order of magnitude more rapidly than manual program development.
Lowry, Michael↗
Transformation of OODT CAS to Perform Larger Tasks
A computer program denoted OODT CAS has been transformed to enable performance of larger tasks that involve greatly increased data volumes and increasingly intensive processing of data on heterogeneous, geographically dispersed computers. Prior to the transformation, OODT CAS (also alternatively denoted, simply, 'CAS') [wherein 'OODT' signifies 'Object-Oriented Data Technology' and 'CAS' signifies 'Catalog and Archive Service'] was a proven software component used to manage scientific data from spaceflight missions. In the transformation, CAS was split into two separate components representing its canonical capabilities: file management and workflow management. In addition, CAS was augmented by addition of a resource-management component. This third component enables CAS to manage heterogeneous computing by use of diverse resources, including high-performance clusters of computers, commodity computing hardware, and grid computing infrastructures. CAS is now more easily maintainable, evolvable, and reusable. These components can be used separately or, taking advantage of synergies, can be used together. Other elements of the transformation included addition of a separate Web presentation layer that supports distribution of data products via Really Simple Syndication (RSS) feeds, and provision for full Resource Description Framework (RDF) exports of metadata.
Mattmann, Chris↗
Extravehicular Activity Operations Concepts Under Communication Latency and Bandwidth Constraints
The Biologic Analog Science Associated with Lava Terrains (BASALT) project is a multi-year program dedicated to iteratively develop, implement, and evaluate concepts of operations (ConOps) and supporting capabilities intended to enable and enhance human scientific exploration of Mars. This pa-per describes the planning, execution, and initial results from the first field deployment, referred to as BASALT-1, which consisted of a series of 10 simulated extravehicular activities (EVAs) on volcanic flows in Idaho's Craters of the Moon (COTM) National Monument. The ConOps and capabilities deployed and tested during BASALT-1 were based on previous NASA trade studies and analog testing. Our primary research question was whether those ConOps and capabilities work acceptably when performing real (non-simulated) biological and geological scientific exploration under 4 different Mars-to-Earth communication conditions: 5 and 15 min one-way light time (OWLT) communication latencies and low (0.512 Mb/s uplink, 1.54 Mb/s downlink) and high (5.0 Mb/s uplink, 10.0 Mb/s downlink) bandwidth conditions representing the lower and higher limits of technical communication capabilities currently proposed for future human exploration missions. The synthesized results of BASALT-1 with respect to the ConOps and capabilities assessment were derived from a variety of sources, including EVA task timing data, network analytic data, and subjective ratings and comments regarding the scientific and operational acceptability of the ConOp and the extent to which specific capabilities were enabling and enhancing, and are presented here. BASALT-1 established preliminary findings that baseline ConOp, software systems, and communication protocols were scientifically and operationally acceptable with minor improvements desired by the "Mars" extravehicular (EV) and intravehicular (IV) crewmembers, but unacceptable with improvements required by the "Earth" Mission Support Center. These data will provide a basis for guiding and prioritizing capability development for future BASALT deployments and, ultimately, future human exploration missions.
Beaton, Kara H.↗
Opportunities for retrieval and tool augmented large language models in scientific facilities
Upgrades to advanced scientific user facilities such as next-generation x-ray light sources, nanoscience centers, and neutron facilities are revolutionizing our understanding of materials across the spectrum of the physical sciences, from life sciences to microelectronics. However, these facility and instrument upgrades come with a significant increase in complexity. Driven by more exacting scientific needs, instruments and experiments become more intricate each year. This increased operational complexity makes it ever more challenging for domain scientists to design experiments that effectively leverage the capabilities of and operate on these advanced instruments. Large language models (LLMs) can perform complex information retrieval, assist in knowledge-intensive tasks across applications, and provide guidance on tool usage. Using x-ray light sources, leadership computing, and nanoscience centers as representative examples, we describe preliminary experiments with a Context-Aware Language Model for Science (CALMS) to assist scientists with instrument operations and complex experimentation. With the ability to retrieve relevant information from facility documentation, CALMS can answer simple questions on scientific capabilities and other operational procedures. With the ability to interface with software tools and experimental hardware, CALMS can conversationally operate scientific instruments. By making information more accessible and acting on user needs, LLMs could expand and diversify scientific facilities’ users and accelerate scientific output.
97 MATHEMATICS AND COMPUTING↗
Refactoring and Componentizing Legacy Codes: GMI Case Study
As Earth science applications grow increasingly complex over time, maintenance of such software becomes a significant challenge. In general, the software subsystems were designed, implemented and integrated (over an extended period of time) by different groups that did not follow the same software design standard. The objective was understandably to obtain scientific results quickly, but this goal was often achieved at the expense of good software practices. With that pattern of development, the cost of incremental changes to the applications grow ominously large. This increase in effort, tends to squeeze development resources and largely prevent any systematic attempt to reintroduce better software practices and thereby enhance the maintainability of the software. In this paper, we present the process we used to incrementally refactor and componentize the Global Modeling Initiative code to make it more understandable, maintainable, flexible and extensible. The resulting product not only preserves the scientific integrity of the original code but also extends the capabilities of the code for several applications.
Kouatchou, Jules↗
Ginkgo - A math library designed to accelerate Exascale Computing Project science applications
Large-scale simulations require efficient computation across the entire computing hierarchy. A challenge of the Exascale Computing Project (ECP) was to reconcile highly heterogeneous hardware with the myriad of applications that were required to run on these supercomputers. Mathematical software forms the backbone of almost all scientific applications, providing efficient abstractions and operations that are crucial to harness the performance of computing systems. Ginkgo is one such mathematical software library, nurtured by ECP, providing high-performance, user-friendly, and performance portable interfaces for applications in ECP and beyond. In this paper, we elaborate on Ginkgo’s philosophy of high-performance software that is sustainable, reproducible, and easy to use. We showcase the wide feature set of solvers and preconditioners available in Ginkgo and the central concepts involved in their design. We elaborate on four different ECP software integrations: MFEM, PeleLM + SUNDIALS, XGC, and ExaSGD that use Ginkgo to accelerate their science runs. Performance studies of different problems from these applications highlight the effectiveness of Ginkgo and the benefits incurred by these ECP applications.
Cojean, Terry↗
SAVS: A Space and Atmospheric Visualization Science system
The research environment faced by space and atmospheric scientists in the 1990s is characterized by unprecedented volumes of new data, by ever-increasing repositories of unexploited mission files, and by the widespread use of empirical and large-scale computational models needed for the synthesis of understanding across data sets and discipline boundaries. The effective analysis and interpretation of such massive amounts of information have become the subjects of legitimate concern. With SAVS (a Space and Atmospheric Visualization Science System), we address these issues by creating a 'push-button' software environment that mimics the logical scientific processes in data acquisition, reduction, and analysis without requiring a detailed understanding of the methods, networks, and modules that link the tools and effectively execute the functions. SAVS provides (1) a customizable framework for accessing a powerful set of visualization tools based on the popular AVS visualization software with hooks to PV-Wave and access to Khoros modules, (2) a set of mathematical and statistical tools, (3) an extensible library of discipline-specific functions and models (e.g., MSIS, IRI, Feldstein Oval, IGRF, satellite tracking with CADRE-3, etc.), and (4) capabilities for local and remote data base access. The system treats scalar, vector, and image data, and runs on most common Unix workstations. We present a description of SAVS and its components, followed by several applications based on generic research interests in interplanetary and magnetospheric physics (IMP/ISTP), active experiments in space (CRRES), and mission planning focused on the Earth's thermospheric, ionospheric, and mesospheric domains (TIMED).
Szuszczewicz, E. P.↗
Blueprint for DOE Quantum Supercomputing: Ensuring U.S. Leadership in the Quantum Decade
Quantum computing stands at the threshold of a transformative decade, where the field will evolve from small-scale demonstrations toward practical scientific computing at scale. This Blueprint identifies fault-tolerant quantum computers (FTQCs) as a viable, scalable, and broadly applicable path to achieving “quantum scientific utility,” defined as solving scientifically valuable problems beyond the reach of conventional, classical computers. This capability is expected to show scientific demonstrations in the late 2020s and to mature in the early-to-mid 2030s. This Blueprint outlines a strategy to prepare the U.S. Department of Energy (DOE) for FTQCs and their integration into the U.S. national scientific computing infrastructure. Its purpose is to identify the steps, milestones, and research directions necessary for DOE to enable initial deployment of FTQCs in 2028 as a scientific tool for the nation and mature this capability into the 2030s. DOE has a long history of supporting quantum information science and technology, contributing significantly to research advancements, training a quantum-ready workforce, and providing access to early small-scale quantum hardware. Given recent demonstrations of logical operations on error-corrected logical qubits and the advancement of commercial hardware roadmaps, DOE should begin preparations for large-scale, fault-tolerant quantum computing deployment for DOE science missions. This Blueprint proposes that DOE focus on (1) deploying first-generation scientifically relevant quantum computers with at least 100 logical qubits and performing at least 10,000 to 100,000 hard logical operations in scientifically relevant calculations; (2) developing essential FTQC programming competencies, system software, and facility readiness; and (3) investing in cutting edge focused R&D that fosters breakthroughs in scientific applications, algorithms, and logical architectures needed to accelerate the advent of scientific utility. This effort will position DOE to transition to larger systems: production-scale quantum computers that comprise 1,000 to 10,000 logical qubits, perform 1 to 10 billion hard logical operations, and execute scientifically useful computations at scale. Achieving these goals will require DOE facilities to evolve with urgency to support scientific campaigns that integrate quantum and classical computing resources into efficient workflows, novel software and firmware environments for compiling and routing quantum programs on FTQC machines, and suitable infrastructure for quantum hardware. It will also require further development and optimization of scientific applications from the fields of materials science, quantum chemistry, and high-energy and nuclear physics. The Blueprint calls for transformative R&D and collective action to accelerate the advent of scientific quantum utility and bring it within reach by 2028.
97 MATHEMATICS AND COMPUTING↗
Visualization techniques to aid in the analysis of multi-spectral astrophysical data sets
The goal of this project was to support the scientific analysis of multi-spectral astrophysical data by means of scientific visualization. Scientific visualization offers its greatest value if it is not used as a method separate or alternative to other data analysis methods but rather in addition to these methods. Together with quantitative analysis of data, such as offered by statistical analysis, image or signal processing, visualization attempts to explore all information inherent in astrophysical data in the most effective way. Data visualization is one aspect of data analysis. Our taxonomy as developed in Section 2 includes identification and access to existing information, preprocessing and quantitative analysis of data, visual representation and the user interface as major components to the software environment of astrophysical data analysis. In pursuing our goal to provide methods and tools for scientific visualization of multi-spectral astrophysical data, we therefore looked at scientific data analysis as one whole process, adding visualization tools to an already existing environment and integrating the various components that define a scientific data analysis environment. As long as the software development process of each component is separate from all other components, users of data analysis software are constantly interrupted in their scientific work in order to convert from one data format to another, or to move from one storage medium to another, or to switch from one user interface to another. We also took an in-depth look at scientific visualization and its underlying concepts, current visualization systems, their contributions, and their shortcomings. The role of data visualization is to stimulate mental processes different from quantitative data analysis, such as the perception of spatial relationships or the discovery of patterns or anomalies while browsing through large data sets. Visualization often leads to an intuitive understanding of the meaning of data values and their relationships by sacrificing accuracy in interpreting the data values. In order to be accurate in the interpretation, data values need to be measured, computed on, and compared to theoretical or empirical models (quantitative analysis). If visualization software hampers quantitative analysis (which happens with some commercial visualization products), its use is greatly diminished for astrophysical data analysis. The software system STAR (Scientific Toolkit for Astrophysical Research) was developed as a prototype during the course of the project to better understand the pragmatic concerns raised in the project. STAR led to a better understanding on the importance of collaboration between astrophysicists and computer scientists.
Brugel, Edward W.↗
Visualization techniques to aid in the analysis of multispectral astrophysical data sets
The goal of this project was to support the scientific analysis of multi-spectral astrophysical data by means of scientific visualization. Scientific visualization offers its greatest value if it is not used as a method separate or alternative to other data analysis methods but rather in addition to these methods. Together with quantitative analysis of data, such as offered by statistical analysis, image or signal processing, visualization attempts to explore all information inherent in astrophysical data in the most effective way. Data visualization is one aspect of data analysis. Our taxonomy as developed in Section 2 includes identification and access to existing information, preprocessing and quantitative analysis of data, visual representation and the user interface as major components to the software environment of astrophysical data analysis. In pursuing our goal to provide methods and tools for scientific visualization of multi-spectral astrophysical data, we therefore looked at scientific data analysis as one whole process, adding visualization tools to an already existing environment and integrating the various components that define a scientific data analysis environment. As long as the software development process of each component is separate from all other components, users of data analysis software are constantly interrupted in their scientific work in order to convert from one data format to another, or to move from one storage medium to another, or to switch from one user interface to another. We also took an in-depth look at scientific visualization and its underlying concepts, current visualization systems, their contributions and their shortcomings. The role of data visualization is to stimulate mental processes different from quantitative data analysis, such as the perception of spatial relationships or the discovery of patterns or anomalies while browsing through large data sets. Visualization often leads to an intuitive understanding of the meaning of data values and their relationships by sacrificing accuracy in interpreting the data values. In order to be accurate in the interpretation, data values need to be measured, computed on, and compared to theoretical or empirical models (quantitative analysis). If visualization software hampers quantitative analysis (which happens with some commercial visualization products), its use is greatly diminished for astrophysical data analysis. The software system STAR (Scientific Toolkit for Astrophysical Research) was developed as a prototype during the course of the project to better understand the pragmatic concerns raised in the project. STAR led to a better understanding on the importance of collaboration between astrophysicists and computer scientists. Twenty-one examples of the use of visualization for astrophysical data are included with this report. Sixteen publications related to efforts performed during or initiated through work on this project are listed at the end of this report.
Brugel, E. W.↗
DUNE Software and Computing Research and Development
The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy toward the implementation of this leading-edge, large-scale science project. The ambitious physics program of Phase I and Phase II of DUNE is dependent upon deployment and utilization of significant computing resources, and successful research and development of software (both infrastructure and algorithmic) in order to achieve these scientific goals. This submission discusses the computing resources projections, infrastructure support, and software development needed for DUNE during the coming decades as an input to the European Strategy for Particle Physics Update for 2026. The DUNE collaboration is submitting four main contributions to the 2026 Update of the European Strategy for Particle Physics process. This submission to the 'Computing' stream focuses on DUNE software and computing. Additional inputs related to the DUNE science program, DUNE detector technologies and R&D, and European contributions to Fermilab accelerator upgrades and facilities for the DUNE experiment, are also being submitted to other streams.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Composable optimization and control toolkit for scientific applications
Applications of Artificial Intelligence (AI) and Machine Learning (ML) can improve the computational efficiency and scientific research output. In order to improve interoperability and reuse of AI/ML software, a composable approach is required. This talk presents a composable approach for scientific workflow development that allows seamless integration of various modules developed by independent researchers. These practices will reduce redundant software development by allowing re-use of workflow modules across projects, teams, departments and facilities. We will present three use cases that follow the composable approach namely, Scientific Optimization and Control Toolkit (SOCT), SciDAC QuantOm workflow, and JLab Nuclear Physics experimental workflows. This talk will dive deeper into SOCT and present the details of the composable code development for optimization and control algorithms using reinforcement learning.
Rajput, Kishansingh↗
Software reliability report
There are many software reliability models which try to predict future performance of software based on data generated by the debugging process. Unfortunately, the models appear to be unable to account for the random nature of the data. If the same code is debugged multiple times and one of the models is used to make predictions, intolerable variance is observed in the resulting reliability predictions. It is believed that data replication can remove this variance in lab type situations and that it is less than scientific to talk about validating a software reliability model without considering replication. It is also believed that data replication may prove to be cost effective in the real world, thus the research centered on verification of the need for replication and on methodologies for generating replicated data in a cost effective manner. The context of the debugging graph was pursued by simulation and experimentation. Simulation was done for the Basic model and the Log-Poisson model. Reasonable values of the parameters were assigned and used to generate simulated data which is then processed by the models in order to determine limitations on their accuracy. These experiments exploit the existing software and program specimens which are in AIR-LAB to measure the performance of reliability models.
Wilson, Larry↗
The validation by measurement theory of proposed object-oriented software metrics
Moving software development into the engineering arena requires controllability, and to control a process, it must be measurable. Measuring the process does no good if the product is not also measured, i.e., being the best at producing an inferior product does not define a quality process. Also, not every number extracted from software development is a valid measurement. A valid measurement only results when we are able to verify that the number is representative of the attribute that we wish to measure. Many proposed software metrics are used by practitioners without these metrics ever having been validated, leading to costly but often useless calculations. Several researchers have bemoaned the lack of scientific precision in much of the published software measurement work and have called for validation of software metrics by measurement theory. This dissertation applies measurement theory to validate fifty proposed object-oriented software metrics (Li and Henry, 1993; Chidamber and Kemerrer, 1994; Lorenz and Kidd, 1994).
Neal, Ralph D.↗