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At least 19 records

Scientific Open-Source Software Is Less Likely to Become Abandoned Than One Might Think! Lessons from Curating a Catalog of Maintained Scientific Software

Scientific software is essential to scientific innovation and in many ways it is distinct from other types of software. Abandoned (or unmaintained), buggy, and hard to use software, a perception often associated with scientific software can hinder scientific progress, yet, in contrast to other types of software, its longevity is poorly understood. Existing data curation efforts are fragmented by science domain and/or are small in scale and lack key attributes. We use large language models to classify public software repositories in World of Code into distinct scientific domains and layers of the software stack, curating a large and diverse collection of over 18,000 scientific software projects. Using this data, we estimate survival models to understand how the domain, infrastructural layer, and other attributes of scientific software affect its longevity. We further obtain a matched sample of non-scientific software repositories and investigate the differences. We find that infrastructural layers, downstream dependencies, mentions of publications, and participants from government are associated with a longer lifespan, while newer projects with participants from academia had shorter lifespan. Against common expectations, scientific projects have a longer lifetime than matched non-scientific open-source software projects. We expect our curated attribute-rich collection to support future research on scientific software and provide insights that may help extend longevity of both scientific and other projects.

Malviya Thakur, Addi [ORNL] (ORCID:000000022681999↗

Current Scientific Progress and Future Scientific Prospects Enabled by Spaceborne Precipitation Radar Measurements

First, we examine current scientific progress and understanding that have been possible through use of spaceborne precipitation radar measurements being provided by the TRMM and CloudSat satellites. Second, we look across a future 20-year time frame to assess how and why anticipated improvements in space radar systems will further advance scientific progress into topic areas once considered beyond the realm of space-based remote sensing. JAXA's 13.8 GHz Ku-band cross-track scanning Precipitation Radar (PR) developed for flight on NASA's non-sun-synchronous, diurnally-precessing TRMM satellite, was the first Earth radar flown in space that was designed specifically for precipitation measurement. Its proven accuracy in measuring global rainfall in the tropics and sub-tropics and its unanticipated longevity in continuing these measurements beyond a full decade have established the standards against which all follow-up and future space radars will be evaluated. In regards to the current PR measurement time series, we will discuss a selection of major scientific discoveries and impacts which have set the stage for future radar measuring systems. In fact, the 2nd contemporary space radar applicable for terrestrial precipitation measurement, i.e., JPL-CSA's 94 GHz nadir-staring Cloud Profiling Radar (CPR) flown on NASA's sun-synchronous CloudSat satellite, although designed primarily for measurement of non-precipitating cloud hydrometeors and aerosols, has also unquestionably advanced precipitation measurement because CPR's higher frequency and greatly increased sensitivity (approximately 30 dBZ) has enabled global observations of light rain rate spectrum processes (i.e., rain rates below 0.05 mm per hourand of precipitation processes in the high troposphere (particularly ice phase processes). These processes are beyond reach of the TRMM radar because the PR sensitivity limit is approximately 17 dBZ which means its lower rain rate cutoff is around 0.3 mm per hour and its vertical profiling acuity is greatly limited above the melting layer. Thus, the newer CPR measurements have become important for a variety of scientific reasons that will be highlighted and assessed. In considering scientific progress likely to stem from future precipitation radar systems, we will specifically examine possible scientific impacts from three anticipated missions for which NASA and various of its space agency partners are expected to lead the way. These three missions are: (1) the nearterm Global Precipitation Measuring (GPM) Mission; (2) the decadal timeline Aerosol and Cloud Experiment (ACE) Mission; and the post-decadal timeline NEXRAD in Space (NIS) Mission. The observational capabilities of the planned radar systems for each of these three satellite missions are distinct from each other and each provides progressive improvements in precipitation measuring and scientific research capabilities relative to where we are now -- insofar as TRMM PR and the CloudSat CPR capabilities. The potential innovations in scientific research will be discussed in a framework of likely synergisms between next-generation radar capabilities and accessible dynamical and microphysical properties that have heretofore evaded detection.

Smith, Eric A.↗

Interpretable Models for Workflow Differentiation in High-Performance Scientific Networks

Scientific workflows in high-performance networks spawn hundreds of interdependent flows that must be managed collectively—yet existing network classifiers treat each flow in isolation, leading to fragmented QoS decisions and missed interflow patterns. We present a novel traffic classification solution that operates at the workflow level, distinguishing entire filetransfer operations from streaming analytics by capturing how concurrent flows interact and burst together. We introduce a workflow identification window (WIW) that ingests raw packet headers from parallel flows into unified tensors, preserving the spatial-temporal patterns that differentiate scientific workflows. This approach achieves 98.7% accuracy using CNN, LSTM, and hybrid architectures, while maintaining 84% accuracy on production traffic collected a week later—demonstrating robustness to temporal drift. By integrating SHAP and GradCAM explainability, we reveal that early-packet timing patterns and cross-flow correlations drive classification decisions, providing operators with interpretable insights. Our system enables coherent workflow-level QoS enforcement and dynamic bandwidth allocation in scientific networks, eliminating manual per-flow configuration while maintaining classification latency at millisecond level.

Giannakou, Anna [LBL, Berkeley]↗

Privacy Preserving Federated Learning for Advanced Scientific Ecosystems

We present a framework to provide privacy preserving (PP) federating learning (FL) across multiple computational and experimental facilities. This work joins the compute capabilities of National Energy Research Scientific Computing Center (NERSC) and Oak Ridge National Laboratory Research Cloud (ORC) with simulated experimental data, such as those produced at the SLAC National Accelerator Laboratory and Spallation Neutron Source (SNS). We describe the software infrastructure developed to provide privacy for computational and experimental networks. We developed algorithmic privacy across the federated system by embedding database security, computation, and communication into the federation architecture, utilizing scientific tools developed by the experimental community.

Archibald, Rick [ORNL] (ORCID:0000000245389780)↗

Understanding Performance-Quality Trade-offs in Scientific Visualization Workflows with Lossy Compression

The cost of I/O is a significant challenge on current supercomputers, and the trend is likely to continue into the foreseeable future. This challenge is amplified in scientific visualization because of the requirement to consume large amounts of data before processing can begin. Lossy compression has become an important technique in reducing the cost of performing I/O. In this paper we consider the implications of using compressed data for visualization within a scientific workflow. We use visualization operations on simulation data that is reduced using three different state-of-the-art compression techniques. We study the storage efficiency and preservation of visualization features on the resulting compressed data, and draw comparisons between the three techniques used. Our contributions can help inform both scientists and researchers in the use and design of compression techniques for preservation of important visualization details.

Chen, Jieyang↗

Frontiers in Scientific Workflows: Pervasive Integration With High-Performance Computing

Herein we address the increasing complexity of scientific workflows in the context of high-performance computing (HPC) and their associated need for robust, adaptable, and flexible computational support systems. We explore five key trends as well as future challenges and opportunities for scientific workflows and HPC technologies.

97 MATHEMATICS AND COMPUTING↗

Sources Sought for Innovative Scientific Instrumentation for Scientific Lunar Rovers

Lunar rovers should be designed as integrated scientific measurement systems that address scientific goals as their main objective. Scientific goals for lunar rovers are presented. Teleoperated robotic field geologists will allow the science team to make discoveries using a wide range of sensory data collected by electronic 'eyes' and sophisticated scientific instrumentation. rovers need to operate in geologically interesting terrain (rock outcrops) and to identify and closely examine interesting rock samples. Enough flight-ready instruments are available to fly on the first mission, but additional instrument development based on emerging technology is desirable. Various instruments that need to be developed for later missions are described.

Meyer, C.↗

The spacelab scientific missions: A comprehensive bibliography of scientific publications

November 1993 represented the 10-year anniversary of the flight of Spacelab 1 mission, with the first precursor mission (OSTA-1) being launched 2 years earlier. Since that time, a total of 27 Shuttle missions has been flown, using the Spacelab system as a facility for conducting scientific research in space. The missions flown to date have allowed a total of approximately 500 Principle Investigator class investigations to be conducted in orbit. These investigations have constituted major scientific efforts in astronomy/astrophysics, atmospheric science, Earth observation, life sciences, microgravity science, and space plasma physics. An initial survey of the scientific products gleaned from Spacelab missions already flown was sent to the Principle Investigators. In that survey, information was gathered from the investigators on the scientific highlights of their investigations and statistical measurements of overall success -- such as papers published. This document is a compilation of the papers that have been published to date in referred literature.

Torr, Marsha↗

The NASA Ames Research Center Institutional Scientific Collection: History, Best Practices and Scientific Opportunities

The NASA Ames Life Sciences Institutional Scientific Collection (ISC), which is composed of the Ames Life Sciences Data Archive (ALSDA) and the Biospecimen Storage Facility (BSF), is managed by the Space Biosciences Division and has been operational since 1993. The ALSDA is responsible for archiving information and animal biospecimens collected from life science spaceflight experiments and matching ground control experiments. Both fixed and frozen spaceflight and ground tissues are stored in the BSF within the ISC. The ALSDA also manages a Biospecimen Sharing Program, performs curation and long-term storage operations, and makes biospecimens available to the scientific community for research purposes via the Life Science Data Archive public website (https:lsda.jsc.nasa.gov). As part of our best practices, a viability testing plan has been developed for the ISC, which will assess the quality of archived samples. We expect that results from the viability testing will catalyze sample use, enable broader science community interest, and improve operational efficiency of the ISC. The current viability test plan focuses on generating disposition recommendations and is based on using ribonucleic acid (RNA) integrity number (RIN) scores as a criteria for measurement of biospecimen viablity for downstream functional analysis. The plan includes (1) sorting and identification of candidate samples, (2) conducting a statiscally-based power analysis to generate representaive cohorts from the population of stored biospecimens, (3) completion of RIN analysis on select samples, and (4) development of disposition recommendations based on the RIN scores. Results of this work will also support NASA open science initiatives and guides development of the NASA Scientific Collections Directive (a policy on best practices for curation of biological collections). Our RIN-based methodology for characterizing the quality of tissues stored in the ISC since the 1980s also creates unique scientific opportunities for temporal assessment across historical missions. Support from the NASA Space Biology Program and the NASA Human Research Program is gratefully acknowledged.

ALSDA↗

Randomized Algorithms for Scientific Computing (RASC)

Randomized algorithms have propelled advances in artificial intelligence (AI) and represent a foundational research area in advancing AI for Science. Future advancements in DOE Office of Science priority areas such as climate science, astrophysics, fusion, advanced materials, combustion, and quantum computing all require randomized algorithms for surmounting challenges of complexity, robustness, and scalability. Advances in data collection and numerical simulation have changed the dynamics of scientific research and motivate the need for randomized algorithms. For instance, advances in imaging technologies such as X-ray ptychography, electron microscopy, electron energy loss spectroscopy, or adaptive optics lattice light-sheet microscopy collect hyperspectral imaging and scattering data in terabytes, at breakneck speed enabled by state-of-the-art detectors. The data collection is exceptionally fast compared with its analysis. Likewise, advances in high-performance architectures have made exascale computing a reality and changed the economies of scientific computing in the process. Floating-point operations that create data are essentially free in comparison with data movement. Thus far, most approaches have focused on creating faster hardware. Ironically, this faster hardware has exacerbated the problem by making data still easier to create. Under such an onslaught, scientists often resort to heuristic deterministic sampling schemes (e.g., low-precision arithmetic, sampling every nth element) and sacrifice potentially valuable accuracy. Dramatically better results can be achieved via randomized algorithms, reducing the data size as much as or more than naive deterministic subsampling can achieve, while retaining the high accuracy of computing on the full data set. By randomized algorithms we mean those algorithms that employ some form of randomness in internal algorithmic decisions to accelerate time to solution, increase scalability, or improve reliability. Examples include matrix sketching for solving large-scale least-squares problems (see Figure 1) and stochastic gradient descent for training machine learning models. We are not recommending heuristic methods but rather randomized algorithms that have certificates of correctness and probabilistic guarantees of optimality and near-optimality. Such approaches can be useful beyond acceleration, for example, in understanding how to avoid measure zero worst-case scenarios that plague methods such as QR matrix factorization.

97 MATHEMATICS AND COMPUTING↗

Software Deployment Process at NERSC: Deploying the Extreme-scale Scientific Software Stack (E4S) Using Spack at the National Energy Research Scientific Computing Center (NERSC)

One of the many benefits of using a high-performance computing (HPC) system at a Department of Energy (DOE) Office of Science (SC) HPC facility is the large number of software products, built and optimized for the system. The HPC center staff and HPC vendors provide optimized software such as libraries and even full scientific applications, ready to be used by users as building blocks to accelerate scientific discovery. Behind each provided packaged software module are a large number of decisions - which compiler, optimizations, variants/options - to build the software on the target system. And, even before the software gets deployed, the software must be developed, tested, and maintained, including deprecating old versions and ensuring compatibility across versions. The software lifecycle is complex and is further convoluted by a web of interdependencies on other software.

97 MATHEMATICS AND COMPUTING↗

The progeria research foundation 10 th international scientific workshop; researching possibilities, ExTENding lives – webinar version scientific summary

Progeria is an ultra-rare (prevalence 1 in 20 million), fatal, pediatric autosomal dominant premature aging disease caused by a mutation in the LMNA gene. This mutation results in accumulation of a high level of an aberrant form of the nuclear membrane protein, Lamin A. This aberrant protein, termed progerin, accumulates in many tissues and is responsible for the diverse array of disease phenotypes. Children die predominantly from premature atherosclerotic cardiovascular disease. The Progeria Research Foundation’s 10th International Scientific Workshop took place via webinar on November 2 and 3, 2020. Participants from 30 countries joined in this new, virtual meeting format. Patient family presentations led the program, followed by updates on Progeria’s first-ever application for FDA drug approval as well as initial results from the only current Progeria clinical trial. This was followed by presentations of unpublished preclinical data on drugs in development targeting the disease-causing DNA mutation, the aberrant mRNA, progerin protein, and its downstream effector proteins. Tying bench to bedside, clinicians presented new discoveries on the natural history of disease to inform future clinical trial development and new Progeria aortic valve replacement procedures. The program engaged the Progeria research community as a single unit with a common goal – to treat and cure children with Progeria worldwide.

60 APPLIED LIFE SCIENCES↗

Basic Scientific Cooperation for Visits and Assignments of Scientific and Technical Personnel

The purpose of this CRADA is to establish the procedures, standards and policies for visits and assignments of scientific and technical personnel, including student exchanges, between Fermi National Accelerator Laboratory (Fermilab) and the Instituto de Física Corpuscular (IFIC) to foster cooperation in the area of particle and astroparticle physics and cosmology. The CRADA supports the basic and fundamental research to build collaboration with international partners that can help both share the cost of large-scale projects as well as add valuable capabilities and expertise that may not exist within the U.S.

79 ASTRONOMY AND ASTROPHYSICS↗

Transportable educational programs for scientific and technical professionals: More effective utilization of automated scientific and technical data base systems

This grant final report executive summary documents a major, long-term program addressing innovative educational issues associated with the development, administration, evaluation, and widespread distribution of transportable educational programs for scientists and engineers to increase their knowledge of, and facilitate their utilization of automated scientific and technical information storage and retrieval systems. This educational program is of very broad scope, being targeted at Colleges of Engineering and Colleges of Physical sciences at a large number of colleges and universities throughout the United States. The educational program is designed to incorporate extensive hands-on, interactive usage of the NASA RECON system and is supported by a number of microcomputer-based software systems to facilitate the delivery and usage of the educational course materials developed as part of the program.

Dominick, Wayne D.↗