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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 415 records · Page 23

Optimizing Distributed Training on Frontier for Large Language Models

Large language models (LLMs) have demonstrated remarkable success as foundational models, benefiting various downstream applications through fine-tuning. Loss scaling studies have demonstrated the superior performance of larger LLMs compared to their smaller counterparts. Nevertheless, training LLMs with billions of parameters poses significant challenges and requires considerable computational resources. For example, training a one trillion parameter GPT-style model on 20 trillion tokens requires a staggering 120 million exaflops. This research explores efficient distributed training strategies to extract this computation from Frontier, the world's first exascale supercomputer. We enable and investigate various model and data parallel training techniques, such as tensor parallelism, pipeline parallelism, and sharded data parallelism, to facilitate training a trillion-parameter model on Frontier. We empirically assess these techniques and their associated parameters to determine their impact on memory footprint, communication latency, and GPU's computational efficiency. We analyze the complex interplay among these techniques and find a strategy to combine them to achieve high throughput through hyperparameter tuning. We have identified efficient strategies for training large LLMs of varying sizes through empirical analysis and hyperparameter tuning. For 22 Billion, 175 Billion, and 1 Trillion parameters, we achieved GPU throughputs of 38.38%, 36.14%, and 31.96%, respectively. For the training of the 175 Billion parameter model and the 1 Trillion parameter model, we achieved 100% weak scaling efficiency on 1024 and 3072 Mi250X GPUs, respectively. We also achieved strong scaling efficiencies of 89% and 87% for these two models. We trained these models only tens of iterations instead of training till completion.

Yin, Junqi↗

SZ3: A Modular Framework for Composing Prediction-Based Error-Bounded Lossy Compressors

Today's scientific simulations require a significant reduction of data volume because of extremely large amounts of data they produce and the limited I/O bandwidth and storage space. Here, error-bounded lossy compression has been considered one of the most effective solutions to the above problem. In practice, however, the best-fit compression method often needs to be customized or optimized in particular because of diverse characteristics in different datasets and various user requirements on the compression quality and performance. In this paper, we address this issue with a novel modular, composable compression framework named SZ3. Our contributions are four-folds. (1) We develop SZ3 which features an innovative modular abstraction for the prediction-based compression framework, such that compression modules can be plugged in easily to create new compressors based on characteristics of data and user requirements. (2) We create a new compression pipeline by SZ3 for GAMESS data, which significantly improves the compression ratios over state-of-the-art compressors. (3) We develop an adaptive compression pipeline by SZ3 for APS data with minimal efforts, which leads to the best rate-distortion among all existing error-bounded lossy compressors for any bit-rate. (4) We compare the sustainability of SZ3 with leading error-bounded prediction-based compressors, and then demonstrate the necessity of diverse pipelines by integrating and evaluating several compression pipelines on diverse scientific datasets from multiple disciplines. Experiments show that SZ3 incurs very limited overhead in compressor integration and our customized compression pipelines lead to up to 20% improvement in compression ratios under the same data distortion, when compared with the best existing approach.

97 MATHEMATICS AND COMPUTING↗

The Evolution of Stellar Dynamos; Survey for Low Mass Members of NGC2232; An X-Ray Survey of the Open Cluster CR140; Towards a Better Understanding of the Rotation-Activity Relation for Solar-Type Members of the Pleiades

This grant was originally awarded to Dr. Charles Prosser, who died tragically in a car accident in Tucson in 1998. We had hoped to finish the work Charles had started, which involved analysis of ROSAT data for three programs (observations of the clusters NGC2232, Crl4O and the Pleiades) and also analysis of optical data for each cluster in order to allow interpretation of the ROSAT observations. The Pleiades portion of the program was completed during the past year, and a paper published. We have obtained optical imaging of the other two clusters, and those data are being analyzed. Dr. Brian Patten intends to complete analysis of the ROSAT observations and to combine those data with the optical photometry, but progress on those efforts has been slow due to the press of other work (Dr. Patten is responsible for the pipeline processing of data from SWAS). We intend to publish those results as soon as we can, but it will now be completed without further support from this grant.

Stauffer, John R.↗

CAN-D: A Modular Four-Step Pipeline for Comprehensively Decoding Controller Area Network Data

Controller area networks (CANs) are a broadcast protocol for real-time communication of critical vehicle subsystems. Original equipment manufacturers of passenger vehicles hold secret their mappings of CAN data to vehicle signals, and these definitions vary according to make, model, and year. Without these mappings, the wealth of real-time vehicle information hidden in the CAN packets is uninterpretable, severely impeding vehicle-related research, including CAN cybersecurity and privacy studies, aftermarket tuning, efficiency and performance monitoring, and fault diagnosis to name a few. Guided by the four-part CAN signal definition, we present CAN-D (CAN-Decoder), a modular, four-step pipeline for identifying each signal's boundaries (start bit and length), endianness (byte ordering), signedness (bit-to-integer encoding), and by leveraging diagnostic standards, augmenting a subset of the extracted signals with meaningful, physical interpretation. En route to CAN-D, we provide a comprehensive review of the CAN signal reverse engineering research. All previous methods ignore endianness and signedness, rendering them incapable of decoding many standard CAN signal definitions. Incorporating endianness grows the search space from 128 to 4.72E21 signal tokenizations and introduces a web of changing dependencies. In response, we formulate, formally analyze, and provide an efficient solution to an optimization problem, allowing identification of the optimal set of signal boundaries and byte orderings. In addition, we provide two novel, state-of-the-art signal boundary classifiers—both of which are superior to previous approaches in precision and recall in three different test scenarios—and the first signedness classification algorithm, which exhibits a $>$ 97% F-score. Altogether, CAN-D is the only solution with the potential to extract any CAN signal that is also the state of the art. In evaluation on 10 vehicles of different makes, CAN-D's average $\ell ^1$ error is five times better (81% less) than all previous methods and exhibits lower average error, even when considering only signals that meet prior methods’ assumptions. Finally, CAN-D is implemented in lightweight hardware, allowing for an on-board diagnostic (OBD-II) plugin for real-time in-vehicle CAN decoding.

42 ENGINEERING↗

Names Don't Fly: Smart Filters for Profanity Detection and Classification in User-Generated Content

Generally, names associate with a person’s identity. But what if in the pretext of a legitimate name and given the opportunity, users of software provide names to online web forms that carry along offensive language, slurs, and other profanity that is then sent to Mars ? The answer is simple: they don’t fly. In this paper,we perform model explorations to detect and classify inappropriate content in the names submitted from people across the world to ‘Send Your Names to MARS’ public engagement campaign.We propose a novel pipeline approach, that can effectively overcome the issues of lack of negative samples, noisy labels by gathering expert knowledge over time with human(s) in the loop and data augmentation, and achieve high accuracy in classifying inappropriate names with very little or no context. We describe cloud-based infrastructure to deploy our application and run predictions on large-scale data through our pipeline and achieve significant speedup over offline processes, with enhanced reliability and security.

Soderstrom, Tomas↗

Automated pipeline framework for processing of large-scale building energy time series data

Commercial buildings account for one third of the total electricity consumption in the United States and a significant amount of this energy is wasted. Therefore, there is a need for “virtual” energy audits, to identify energy inefficiencies and their associated savings opportunities using methods that can be non-intrusive and automated for application to large populations of buildings. Here we demonstrate virtual energy audits applied to large populations of buildings’ time-series smart-meter data using a systematic approach and a fully automated Building Energy Analytics (BEA) Pipeline that unifies, cleans, stores and analyzes building energy datasets in a non-relational data warehouse for efficient insights and results. This BEA pipeline is based on a custom compute job scheduler for a high performance computing cluster to enable parallel processing of Slurm jobs. Within the analytics pipeline, we introduced a data qualification tool that enhances data quality by fixing common errors, while also detecting abnormalities in a building’s daily operation using hierarchical clustering. We analyze the HVAC scheduling of a population of 816 buildings, using this analytics pipeline, as part of a cross-sectional study. With our approach, this sample of 816 buildings is improved in data quality and is efficiently analyzed in 34 minutes, which is 85 times faster than the time taken by a sequential processing. The analytical results for the HVAC operational hours of these buildings show that among 10 building use types, food sales buildings with 17.75 hours of daily HVAC cooling operation are decent targets for HVAC savings. Overall, this analytics pipeline enables the identification of statistically significant results from population based studies of large numbers of building energy time-series datasets with robust results. These types of BEA studies can explore numerous factors impacting building energy efficiency and virtual building energy audits. This approach enables a new generation of data-driven buildings energy analysis at scale.

36 MATERIALS SCIENCE↗

Adaptive Cybersecurity for Distributed Energy Resources (AdCyDER): Online Reinforcement Learning with Stackelberg-Optimized Defenses — Pipeline Architecture, Evaluation Methodology, and Findings from a Synthetic-Data Evaluation

This report documents the design and evaluation of an integrated online-learning pipeline developed within the AdCyDER project for Distributed Energy Resource (DER) cybersecurity. The pipeline couples a Reinforcement Learning (RL) attack classifier — which produces an attack-type probability distribution — with a Stackelberg game-theoretic (GT) defense selector that consumes those distributions alongside SME-encoded priors over (defense, attack) effectiveness pairings and perdefense costs to choose grid-health-preserving defenses. The objective is not attack classification per se but production of distributions that drive effective defense selection through the Stackelberg layer, learned from delayed grid-health feedback rather than labeled attack data. AdCyDER as a whole is broader than the work presented here; this report covers the specific RL/GT loop integration and its evaluation. We present the integrated pipeline (SCADA telemetry with Fronius inverter physics, Suricata IDS, time-windowed aggregation, per-facility LSTM classifier, Stackelberg optimizer, OpenC2 actuators), an experimental campaign of 28 eight-hour iterations across three baseline modes, and a pipeline-ordered diagnostic protocol. The protocol identifies two distinct failure modes within the loop: paired supervised ceilings on the same features establish that the deployed online RL classifier (macro F1 ≈ 0.07) sits at least 4.7× below a same-architecture supervised LSTM (≈ 0.34) and 10–11× below a linear feature-signal ceiling (≈ 0.70–0.79 depending on per-facility isolation), localizing the dominant failure to the training procedure; and the reward signal driving online updates carries weak directional coupling with classifier correctness in the methodology-expected direction (multi-lens convergent: top-decile P(true) records produce more frequent state changes and slightly larger improvements, top-vs-bot Cohen’s 𝑑 ≈ −0.19), but at effect magnitudes too small to drive gradient-based learning at the campaign sample size. The original learning hypothesis is not supported by the data. The primary contributions are the diagnostic methodology — proposed as a transferable falsification protocol for online RL/GT defense pipelines learning from delayed environmental reward — and the open, reproducible experimental infrastructure. We outline reward reformulation as the highest-priority aspirational next step given the underpowered-but-aligned Q6 reading, with hardware-in-the-loop evaluation as the broadest scope-expansion option.

Blakely, Benjamin [Argonne National Laboratory (AN↗

Testing the LSST Difference Image Analysis Pipeline Using Synthetic Source Injection Analysis

Abstract We evaluate the performance of the Legacy Survey of Space and Time Science Pipelines Difference Image Analysis (DIA) on simulated images. By adding synthetic sources to galaxies on images, we trace the recovery of injected synthetic sources to evaluate the pipeline on images from the Dark Energy Science Collaboration Data Challenge 2. The pipeline performs well, with efficiency and flux accuracy consistent with the signal-to-noise ratio of the input images. We explore different spatial degrees of freedom for the Alard–Lupton polynomial-Gaussian image subtraction kernel and analyze for trade-offs in efficiency versus artifact rate. Increasing the kernel spatial degrees of freedom reduces the artifact rate without loss of efficiency. The flux measurements with different kernel spatial degrees of freedom are consistent. We also here provide a set of DIA flags that substantially filter out artifacts from the DIA source table. We explore the morphology and possible origins of the observed remaining subtraction artifacts and suggest that given the complexity of these artifact origins, a convolution kernel with a set of flexible bases with spatial variation may be needed to yield further improvements.

Liu, S. (ORCID:0000000244612143)↗

GeoNEX: A Geostationary Earth Observatory

The latest generation of geostationary satellites (Himawari 8/9, GOES-16/17, FY-4, GK-2A) carries sensors that closely mimic the spatial and spectral characteristics of widely used polar-orbiting, global monitoring sensors such as MODIS and VIIRS. When combined, data from various currently operating/planned geostationary platforms provide a geo-ring of hyper-temporal (5-10 minutes), multispectral observations at spatial resolutions as high as 500 m. These high frequency observations offer exciting new possibilities for monitoring our planet, including better retrievals of geophysical variables by overcoming cloud cover, enabling studies of diurnally varying phenomena in the atmosphere, land, and the oceans, and support operational decision-making in agriculture, hydrology and disaster management. The NASA Earth Exchange (NEX) team, in collaboration with scientists from JAXA, KARI, NOAA and other international institutions, created the GeoNEX (www.nasa.gov/geonex) pipeline to integrate data from all available geostationary platforms and produce and distribute spatially, temporally, and radiometrically consistent data for the earth science community. We envision various institutions adapting the Geo component (e.g., GeoNOAA, GeoKARI, GeoChiba, GeoJAXA, GeoCMA) and customizing the pipeline and downstream products to serve the local/regional research and applied science communities. To facilitate collaborative work among the partners, we have established the OpenNEX platform on the public cloud. OpenNEX provides researchers, developers, educators, and ordinary users with easy access to an integrated Earth science computational and data platform, enabling citizen scientists and application developers to realize the full value of GeoNEX data assets and software tools.

GeoNEX↗

ASDC’s Python-Based Metadata Extraction Pipeline for Suborbital Campaigns

The FAIRness of data products, especially findability and accessibility depend on rich metadata which, when extracted, can allow for proper curation. Over the past few years, the Atmospheric Science Data Center (ASDC) suborbital science support team has developed a metadata extraction pipeline to ensure the required metadata can be retrieved systematically, effectively, and efficiently to ensure the data can be used by a broad community. The development of a pipeline has presented many, but necessary, challenges to support archival and distribution of ASDC’s 30+ suborbital missions. Though sufficient metadata is provided by instrument scientists, the metadata may not be readily machine actionable due to different formats and templates. Further complicating metadata extraction, our team has found that the nature of metadata can be quite diverse given the difference in measurement types, instruments, and measurement platforms. A metadata extraction pipeline has been developed to provide an efficient, plugin-in based, method for adding new parsers, a configuration system that lets non-developers customize how files are processed, and a system for identifying and logging metadata quality issues to ensure they are readily found and addressed. The metadata extraction pipeline identifies critical pieces of metadata that are needed to promote data FAIRness, including location, file revision, measurement start/end datetime and can be easily modified to extract further information (such as variables). Given the wide-ranging datasets, the pipeline has been modified to accommodate multiple file formats, including multiple versions of ICARTT (International Consortium for Atmospheric Research on Transport and Transformation), HDF (Hierarchical Data Format), netCDF (network Common Data Form), and multiple versions of the Ames File Format. The pipeline also supports building metadata for file formats that cannot have metadata easily extracted from them, such as PDF (Portable Document Format) and GIF (Graphics Interchange Format). The pipeline has allowed our team to maintain a consistent flow of data and metadata to archival and distribution services, ensuring the ASDC meets the needs of the suborbital science community. This presentation will highlight the ASDC’s suborbital metadata extraction pipeline, its development, how it’s been modified to support data FAIRness, and plans for maintaining the pipeline and adding new features.

Abraham Porter↗

MARTINI-Compatible Coarse-Grained Model for the Mesoscale Simulation of Peptoids

Peptoids (poly-N-substituted glycines) are a class of synthetic polymers that are regioisomers of peptides (poly-C-substituted glycines), in which the point of side-chain connectivity is shifted from the backbone C to the N atom. Peptoids have found diverse applications as peptidomimetic drugs, protein mimetic polymers, surfactants, and catalysts. Computational modeling is valuable in the understanding and design of peptoid-based nanomaterials. In this work, we report the bottom-up parameterization of coarse-grained peptoid force fields based on the MARTINI peptide force field against all-atom peptoid simulation data. Our parameterization pipeline iteratively refits coarse-grained bonded interactions using iterative Boltzmann inversion and nonbonded interactions by matching the potential of mean force for chain extension. We assure good sampling of the amide bond cis/trans isomerizations in the all-atom simulation data using parallel bias metadynamics. We develop coarse-grained models for two representative peptoids—polysarcosine (poly(N-methyl glycine)) and poly(N-((4-bromophenyl)ethyl)glycine)—and show their structural and thermodynamic properties to be in excellent accord with all-atom calculations but up to 25-fold more efficient and compatible with MARTINI force fields. Here, this work establishes a new rigorously parameterized coarse-grained peptoid force field for the understanding and design of peptoid nanomaterials at length and time scales inaccessible to all-atom calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Viral Annotation Pipeline in KBase

This data analysis workflow demonstrates how to process a metagenome to identify viruses using VirSorter. Then, provides taxonomic classification using vConTACT2.

59 BASIC BIOLOGICAL SCIENCES↗

The Kepler Science Operations Center Pipeline Framework Extensions

The Kepler Science Operations Center (SOC) is responsible for several aspects of the Kepler Mission, including managing targets, generating on-board data compression tables, monitoring photometer health and status, processing the science data, and exporting the pipeline products to the mission archive. We describe how the generic pipeline framework software developed for Kepler is extended to achieve these goals, including pipeline configurations for processing science data and other support roles, and custom unit of work generators that control how the Kepler data are partitioned and distributed across the computing cluster. We describe the interface between the Java software that manages the retrieval and storage of the data for a given unit of work and the MATLAB algorithms that process these data. The data for each unit of work are packaged into a single file that contains everything needed by the science algorithms, allowing these files to be used to debug and evolve the algorithms offline.

Klaus, Todd C.↗

Correction and calibration of atmospheric impact observations in GOES GLM data

The Earth's atmosphere is impacted daily by both meteoroids and artificial objects. Calibrated observations of the emitted light at sufficiently high sampling rates can enable or improve the estimation of impactor attributes such as size, cohesion, trajectory, and composition, but are difficult to obtain owing to the unpredictability, brevity, and high dynamic (brightness) range of impacts. Ground-based camera systems have successfully monitored small regions of the atmosphere at video frame rates and with limited radiometric capabilities, but most impacts occur over the 70% of the Earth's surface covered by water and are therefore missed by these networks. The Geostationary Lightning Mapper (GLM) instruments aboard Geostationary Operational Environmental Satellites 16 and 17 provide near-hemispherical coverage at 500 frames per second. These data have been shown to contain the signatures of many independently confirmed impacts, often from both viewing angles simultaneously, and constitute an observational resource that is currently unparalleled in the public domain. NASA's Asteroid Threat Assessment Project has implemented an automated impact detection pipeline that processes data from GLM daily. Given a detected impact, the GLM data contain a wealth of information for use in quantitative follow-up analyses. However, impact events differ from lightning in ways that violate key assumptions built into GLM's design. The result is that GLM's onboard processing introduces errors into pixel observations of impact events and the calibrated energies near the periphery of the detector may be substantially overestimated. We present methods for mitigating these and other issues to produce a data product more suitable for impact analyses than the existing GLM lightning product.

58 GEOSCIENCES↗

GeoNEX: A geostationary earth observatory at NASA Earth eXchange: Earth monitoring from operational geostationary satellite systems

The latest generation of geostationary satellites (Himawari 8/9, GOES-16/17, FY-4, GK-2A) carries sensors that closely mimic the spatial and spectral characteristics of widely used polar-orbiting, global monitoring sensors such as MODIS and VIIRS. When combined, data from various currently operating/planned geostationary platforms provide a geo-ring of hyper-temporal (5-10 minutes), multispectral observations at spatial resolutions as high as 500 m. These high frequency observations offer exciting new possibilities for monitoring our planet, including better retrievals of geophysical variables by overcoming cloud cover, enabling studies of diurnally varying phenomena in the atmosphere, land, and the oceans, and support operational decision-making in agriculture, hydrology and disaster management. The NASA Earth Exchange (NEX) team, in collaboration with scientists from JAXA, KARI, NOAA and other international institutions, created the GeoNEX (www.nasa.gov/geonex) pipeline to integrate data from all available geostationary platforms and produce and distribute spatially, temporally, and radiometrically consistent data for the earth science community. We envision various institutions adapting the Geo component (e.g., GeoNOAA, GeoKARI, GeoChiba, GeoJAXA, GeoCMA) and customizing the pipeline and downstream products to serve the local/regional research and applied science communities.

Ramakrishna R Nemani↗

Indoor Occupancy Sensing via Networked Nodes (2012–2022): A Review

In the past decade, different sensing mechanisms and algorithms have been developed to detect or estimate indoor occupancy. One of the most recent advancements is using networked sensor nodes to create a more comprehensive occupancy detection system where multiple sensors can identify human presence within more expansive areas while delivering enhanced accuracy compared to a system that relies on stand-alone sensor nodes. The present work reviews the studies from 2012 to 2022 that use networked sensor nodes to detect indoor occupancy, focusing on PIR-based sensors. Methods are compared based on pivotal ADPs that play a significant role in selecting an occupancy detection system for applications such as Health and Safety or occupant comfort. These parameters include accuracy, information requirement, maximum sensor failure and minimum observation rate, and feasible detection area. We briefly describe the overview of occupancy detection criteria used by each study and introduce a metric called “sensor node deployment density” through our analysis. This metric captures the strength of network-level data filtering and fusion algorithms found in the literature. It is hinged on the fact that a robust occupancy estimation algorithm requires a minimal number of nodes to estimate occupancy. This review only focuses on the occupancy estimation models for networked sensor nodes. It thus provides a standardized insight into networked nodes’ occupancy sensing pipelines, which employ data fusion strategies, network-level machine learning algorithms, and occupancy estimation algorithms. This review thus helps determine the suitability of the reviewed methods to a standard set of application areas by analyzing their gaps.

Emad-Ud-Din, Muhammad (ORCID:0000000279515538)↗

The catalog-to-cosmology framework for weak lensing and galaxy clustering for LSST

We present TXPipe, a modular, automated and reproducible pipeline for ingesting catalog data and performing all the calculations required to obtain quality-assured two-point measurements of lensing and clustering, and their covariances, with the metadata necessary for parameter estimation. The pipeline is developed within the Rubin Observatory Legacy Survey of Space and Time (LSST) Dark Energy Science Collaboration (DESC), and designed for cosmology analyses using LSST data. In this paper, we present the pipeline for the so-called 3x2pt analysis -- a combination of three two-point functions that measure the auto- and cross-correlation between galaxy density and shapes. We perform the analysis both in real and harmonic space using TXPipe and other LSST-DESC tools. We validate the pipeline using Gaussian simulations and show that it accurately measures data vectors and recovers the input cosmology to the accuracy level required for the first year of LSST data under this simplified scenario. We also apply the pipeline to a realistic mock galaxy sample extracted from the CosmoDC2 simulation suite (Korytov et al. 2019). TXPipe establishes a baseline framework that can be built upon as the LSST survey proceeds. Furthermore, the pipeline is designed to be easily extended to science probes beyond the 3x2pt analysis.

79 ASTRONOMY AND ASTROPHYSICS↗