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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29

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↗

Ares V: Application to Solar System Scientific Exploration

The development of the Ares V launch vehicle will provide levels of performance unseen since the days of Apollo. This capability, like the Saturn V before it, is being developed primarily for crewed lunar missions. However, the tremendous jump in performance offered by the Ares V launch system has tremendous potential for the furtherance of robotic solar system exploration missions as well. Preliminary performance assessments indicate that Ares V could deliver 5 times the payload to Mars as compared to the most capable US expendable launch vehicle available today. Beyond Mars, the outer planets offer a number of high-priority investigations with compelling science. Presently, missions to these destinations are only achievable using indirect flights with gravity assist trajectories and, in many cases, suffer from long flight times. An Ares V with an upper stage could capture these missions using direct flights with shorter interplanetary transfer times that would enable extensive in situ investigations and possibly the return of samples to Earth. This paper lays out an estimate of Ares V performance for moderate and high C3 missions, and goes on to discuss a range of revolutionary mission concepts that could be enabled by this significant in-crease in launch capability.

Elliott, John↗

Ares V: Application to Solar System Scientific Exploration

Ares V would revolutionize the way we accomplish solar system exploration -Shift to a better balance of field data acquisition and laboratory analysis -Greatly improve field data acquisition Better instruments, better instrument complements. Larger data volumes returned. Would require a new fiscal paradigm. "Ares V Solar System Science" workshop helped expand the set of possibly-enabled missions.

Elliott, John O.↗

Landsat-8 Sensor Characterization and Calibration

Landsat-8 was launched on 11 February 2013 with two new Earth Imaging sensors to provide a continued data record with the previous Landsats. For Landsat-8, pushbroom technology was adopted, and the reflective bands and thermal bands were split into two instruments. The Operational Land Imager (OLI) is the reflective band sensor and the Thermal Infrared Sensor (TIRS), the thermal. In addition to these fundamental changes, bands were added, spectral bandpasses were refined, dynamic range and data quantization were improved, and numerous other enhancements were implemented. As in previous Landsat missions, the National Aeronautics and Space Administration (NASA) and United States Geological Survey (USGS) cooperated in the development, launch and operation of the Landsat- 8 mission. One key aspect of this cooperation was in the characterization and calibration of the instruments and their data. This Special Issue documents the efforts of the joint USGS and NASA calibration team and affiliates to characterize the new sensors and their data for the benefit of the scientific and application users of the Landsat archive. A key scientific use of Landsat data is to assess changes in the land-use and land cover of the Earth's surface over the now 43-year record. In order to perform these analyses and avoid confusing sensor changes with Earth surface changes, a solid understanding of the sensors' performance, consistent geolocation and radiometry are essential. Particularly with the significant changes in the Landsat-8 sensors relative to previous Landsat missions, this characterization becomes all the more important.

Radiometry↗

Data-driven analysis to understand GPU hardware resource usage of optimizations

With heterogeneous systems, the number of GPUs per chip increases to provide computational capabilities for solving science at a nanoscopic scale. However, low utilization for single GPUs defies the need to invest more money in expensive accelerators. Although related work develops optimizations to improve application performance, none studies how these optimizations impact hardware resource usage or average GPU utilization. Here, this paper takes a data-driven analysis approach in addressing this gap by (1) characterizing how hardware resource usage affects device utilization, execution time, or both, (2) presenting a multiobjective metric to identify important application-device interactions that can be optimized to improve device utilization and application performance jointly, (3) studying hardware resource usage behaviors of several optimizations for a benchmark application, and finally (4) identifying optimization opportunities for several scientific proxy applications based on their hardware resource usage behaviors. Furthermore, we demonstrate the applicability of our methodology by applying the identified optimizations to a proxy application, which improves the execution time, device utilization, and power consumption by up to 29.6%, 5.3% and 26.5% respectively.

Computer science↗

Imaging Spectrometry-Concepts and System Tradeoffs

The concept of imaging spectrometry is finding broad application in scientific instrumentation for earth-based, airborne, and space applications. An imaging spectrometer is characterized by the combination of imaging with complete sampling in the spectral domain. In so doing, material identification can be accomplished and displayed in conjunction with the conventional recognizable image. An image spectrometer incorporates a wide variety of techniques, including focal plane arrays, imaging and spectrometer optics, and spectral dispersing devices. The design of a successful system involves a complex set of tradeoffs incorporating the properties and limitations of the various technologies. For applications in the infrared, additional technologies such as focal plane cooling are required, and the other technologies present more limitations and constraints.

Herring, M.↗

Space Flown Rodent Liver RNA Sequencing Data for Machine Learning in Space Biology Research

High-throughput nucleic acid sequencing (DNA-seq, RNA-seq) has become widespread in biomedical research due to the growing availability and affordability of these assays. Data analysis has been accelerated in recent years by the adoption of artificial intelligence (AI) and machine learning (ML) techniques by biomedical researchers. In space biology research, RNAseq datasets from space-flown experimental samples are critical for characterizing the gene expression aberrations associated with exposure to spaceflight stressors. However, space biological experiments tend to be very low sample size, so identifying proper AI/ML algorithms for sequencing data analysis is an ongoing challenge since these algorithms typically require large sample size. The NASA Science Mission Directorate (SMD) has started the “Benchmark Initiative for AI/ML”, focused on creating datasets meant for three main applications: 1) scientific benchmarking, which finds the best algorithm for a specific problem; 2) application benchmarking, which measures algorithm performance against a set of parameters; and 3) system benchmarking, which evaluates performance of hardware and software architecture. These scientific benchmarks consist of an AI-ready dataset and a reference implementation on a specific scientific question. In this work, we focused on generating standardized datasets to allow the scientific community to benchmark AI/ML algorithms in the domain of space biology. We present here a standardized, AI-ready, publicly available benchmark dataset for space biology RNA-seq data as a collaboration between the NASA AI4LS (Artificial Intelligence for Life Sciences) working group. and NASA’s SMD. This dataset consists of space-flown and ground control mouse liver found in the NASA GeneLab omics database. However, to amplify the small sample number (n=112 samples) for ML purposes, we employ Gaussian noise and a generative adversarial network to extend this dataset to 6,000 synthetic samples, matching the original gene expression characteristics.

James Casaletto↗

A software architecture for multidisciplinary applications: Integrating task and data parallelism

Data parallel languages such as Vienna Fortran and HPF can be successfully applied to a wide range of numerical applications. However, many advanced scientific and engineering applications are of a multidisciplinary and heterogeneous nature and thus do not fit well into the data parallel paradigm. In this paper we present new Fortran 90 language extensions to fill this gap. Tasks can be spawned as asynchronous activities in a homogeneous or heterogeneous computing environment; they interact by sharing access to Shared Data Abstractions (SDA's). SDA's are an extension of Fortran 90 modules, representing a pool of common data, together with a set of Methods for controlled access to these data and a mechanism for providing persistent storage. Our language supports the integration of data and task parallelism as well as nested task parallelism and thus can be used to express multidisciplinary applications in a natural and efficient way.

Chapman, Barbara↗

Opus: A Coordination Language for Multidisciplinary Applications

Data parallel languages, such as High Performance fortran, can be successfully applied to a wide range of numerical applications. However, many advanced scientific and engineering applications are multidisciplinary and heterogeneous in nature, and thus do not fit well into the data parallel paradigm. In this paper we present Opus, a language designed to fill this gap. The central concept of Opus is a mechanism called ShareD Abstractions (SDA). An SDA can be used as a computation server, i.e., a locus of computational activity, or as a data repository for sharing data between asynchronous tasks. SDAs can be internally data parallel, providing support for the integration of data and task parallelism as well as nested task parallelism. They can thus be used to express multidisciplinary applications in a natural and efficient way. In this paper we describe the features of the language through a series of examples and give an overview of the runtime support required to implement these concepts in parallel and distributed environments.

Chapman, Barbara↗

Impacts of floating-point non-associativity on reproducibility for HPC and deep learning applications

Run to run variability in parallel programs caused by floating-point non-associativity has been known to significantly affect reproducibility in iterative algorithms, due to accumulating errors. Non-reproducibility can critically affect the efficiency and effectiveness of correctness testing for stochastic programs. Recently, the sensitivity of deep learning training and inference pipelines to floating-point non-associativity has been found to sometimes be extreme. It can prevent certification for commercial applications, accurate assessment of robustness and sensitivity, and bug detection. New approaches in scientific computing applications have coupled deep learning models with high-performance computing, leading to an aggravation of debugging and testing challenges. Here we perform an investigation of the statistical properties of floating-point non-associativity within modern parallel programming models, and analyze performance and productivity impacts of replacing atomic operations with deterministic alternatives on GPUs. We examine the recently-added deterministic options in PyTorch within the context of GPU deployment for deep learning, uncovering and quantifying the impacts of input parameters triggering run to run variability and reporting on the reliability and completeness of the documentation. Finally, we evaluate the strategy of exploiting automatic determinism that could be provided by deterministic hardware, using the Groq LPUTM accelerator for inference portions of the deep learning pipeline. We demonstrate the benefits that a hardware-based strategy can provide within reproducibility and correctness efforts.

Shanmugavelu, Sanjif↗

A Task Based Approach for Co-Scheduling Ensemble Workloads on Heterogeneous Nodes

Scientific workflows consist of multiple, connected applications, with data and results flowing from one to another in a pipeline. Traditionally, such workflows are executed in sequential order, storing intermediate data in storage disks. Co-scheduling application workflows concurrently on the same compute nodes would greatly reduce the cost of moving data to/from storage and allow real-time analysis of intermediate results. Nevertheless, most parallel programming runtimes do not allow seamless integration of various applications in a scientific workflow, in part due to the complexity of managing data and resources. The situation is even more complicated for heterogeneous systems. In this work we extend the Minos Computing Library (MCL) runtime to accelerate pipe-lined and parallel workloads where multiple applications are running in the same system. MCL’s asynchronous task library and runtime dynamically manages resources to allow co-scheduling of multiple processes sharing heterogeneous resources. In addition, we design a custom ex- tension of the Open Compute Language (OpenCL) to enable multiple processes to share device memory. We enable MCL to coordinate these shared buffers to allow for easy, fast data sharing between applications. Using malleable micro-benchmarks and two application workflows that combine scientific simulation and AI-based analysis, we show that our method outperforms traditional approaches.

Index Terms—Parallel systems, Scheduling and Task ↗

Applications of artificial intelligence to scientific research

Artificial intelligence (AI) is a growing field which is just beginning to make an impact on disciplines other than computer science. While a number of military and commercial applications were undertaken in recent years, few attempts were made to apply AI techniques to basic scientific research. There is no inherent reason for the discrepancy. The characteristics of the problem, rather than its domain, determines whether or not it is suitable for an AI approach. Expert system, intelligent tutoring systems, and learning programs are examples of theoretical topics which can be applied to certain areas of scientific research. Further research and experimentation should eventurally make it possible for computers to act as intelligent assistants to scientists.

Prince, Mary Ellen↗

Manned systems utilization analysis (study 2.1). Volume 1: Executive summary

Man's contribution to the achievement of scientific mission objectives in the space environment is investigated in terms of potential improvement in future applications of scientific instruments relative to the need for interactive manned support operations. Emphasis is placed on experience gained from space programs and the development of empirical techniques to associate the benefit of repair and management actions. Design features are addressed in terms of weight, volume, and reliability associated with designing for space maintenance. The results of the following programs are examined: the OVI series of automated spacecraft; the OSO-7 automated spacecraft; and the Skylab S-056 X-ray telescope experiment in the ATM. It is shown that orbital maintenance is the most realistic means of achieving high system availabilities for scientific instruments.

Wolfe, R. R.↗