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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 343 records · Page 19

Constraining Galaxy-Halo connection using machine learning

We investigate the potential of machine learning (ML) methods to model small-scale galaxy clustering for constraining Halo Occupation Distribution (HOD) parameters. Our analysis reveals that while many ML algorithms report good statistical fits, they often yield likelihood contours that are significantly biased in both mean values and variances relative to the true model parameters. This highlights the importance of careful data processing and algorithm selection in ML applications for galaxy clustering, as even seemingly robust methods can lead to biased results if not applied correctly. ML tools offer a promising approach to exploring the HOD parameter space with significantly reduced computational costs compared to traditional brute-force methods if their robustness is established. Using our ANN-based pipeline, we successfully recreate some standard results from recent literature. Properly restricting the HOD parameter space, transforming the training data, and carefully selecting ML algorithms are essential for achieving unbiased and robust predictions. Among the methods tested, artificial neural networks (ANNs) outperform random forests (RF) and ridge regression in predicting clustering statistics, when the HOD prior space is appropriately restricted. We demonstrate these findings using the projected two-point correlation function (w p (r p )), angular multipoles of the correlation function (ξ ℓ (r)), and the void probability function (VPF) of Luminous Red Galaxies from Dark Energy Spectroscopic Instrument mocks. Our results show that while combining w p (r p ) and VPF improves parameter constraints, adding the multipoles ξ 0 , ξ 2 , and ξ 4 to w p (r p ) does not significantly improve the constraints.

cosmology↗

Active learning enables generation of molecules that advance the known Pareto front

Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the properties of the structures represented in the training distribution. We find that this limitation arises not only from the molecule generation process itself, but also from the poor generalization capabilities of molecular property predictors. We address this challenge by creating a closed-loop molecule generation pipeline with iterative retraining on new quantum chemical simulation data. Compared against static, single-pass generative modeling approaches, only our closed-loop iterative workflow generates molecules with properties extending beyond the training distribution (up to 0.44 standard deviations beyond the original range) and achieves a 79% improvement in out-of-distribution molecule classification accuracy. Furthermore, by conditioning molecular generation on thermodynamic stability data obtained during the iterative loop, the proportion of stable and hence potentially synthesizable molecules generated is 3.5x higher than the next-best model.

Chemistry↗

Fiducial-cosmology-dependent systematics for the DESI 2024 BAO analysis

When measuring the Baryon Acoustic Oscillations (BAO) scale from galaxy surveys, one typically assumes a fiducial cosmology when converting redshift measurements into comoving distances and also when defining input parameters for the reconstruction algorithm. A parameterised template for the model to be fitted is also created based on a (possibly different) fiducial cosmology. This model reliance can be considered a form of data compression, and the data is then analysed allowing that the true answer is different from the fiducial cosmology assumed. In this study, we evaluate the impact of the fiducial cosmology assumed in the BAO analysis of the Dark Energy Spectroscopic Instrument (DESI) survey Data Release 1 (DR1) on the final measurements in DESI 2024 III. We utilise a suite of mock galaxy catalogues with survey realism that mirrors the DESI DR1 tracers: the bright galaxy sample (BGS), the luminous red galaxies (LRG), the emission line galaxies (ELG) and the quasars (QSO), spanning a redshift range from 0.1 to 2.1. We compare the four secondary AbacusSummit cosmologies against DESI's fiducial cosmology (Planck 2018). The secondary cosmologies explored include a lower cold dark matter density, a thawing dark energy universe, a higher number of effective species, and a lower amplitude of matter clustering. The mocks are processed through the BAO pipeline by consistently iterating the grid, template, and reconstruction reference cosmologies. We determine a conservative systematic contribution to the error of 0.1% for both the isotropic and anisotropic dilation parameters αiso and αAP. We then directly test the impact of the fiducial cosmology on DESI DR1 data.

79 ASTRONOMY AND ASTROPHYSICS↗

ROSAT Science Data Center

This report provides a summary of the Smithsonian Astrophysical Observatory (SAO) ROSAT SCIENCE DATA CENTER (RSDC) activities for the recent years of our contract. Details have already been reported in the monthly reports. The SAO was responsible for the High Resolution Imager (HRI) detector on ROSAT. We also provided and supported the HRI standard analysis software used in the pipeline processing (SASS). Working with our colleagues at the Max Planck in Garching Germany (MPE), we fixed bugs and provided enhancements. The last major effort in this area was the port from VMS/VAX to VMS/ALPHA architecture. In 1998, a timing bug was found in the HRI standard processing system which degraded the positional accuracy because events accessed incorrect aspect solutions. The bug was fixed and we developed off-line correction routines and provided them to the community. The Post Reduction Off-line Software (PROS) package was developed by SAO and runs in the IRAF environment. Although in recent years PROS was not a contractual responsibility of the RSDC, we continued to maintain the system and provided new capabilities such as the ability to deal with simulated AXAF data in preparation for the NASA call for proposals for Chandra. Our most recent activities in this area included the debugging necessary for newer versions of IRAF which broke some of our software. At SAO we have an operating version of PROS and hope to release a patch even though almost all functionality that was lost was subsequently recovered via an IRAF patch (i.e. most of our problems were caused by an IRAF bug).

Murray, Stephen↗

A miniaturized feedstocks-to-fuels pipeline for screening the efficiency of deconstruction and microbial conversion of lignocellulosic biomass

Sustainably grown biomass is a promising alternative to produce fuels and chemicals and reduce the dependency on fossil energy sources. However, the efficient conversion of lignocellulosic biomass into biofuels and bioproducts often requires extensive testing of components and reaction conditions used in the pretreatment, saccharification, and bioconversion steps. This restriction can result in a significant and unwieldy number of combinations of biomass types, solvents, microbial strains, and operational parameters that need to be characterized, turning these efforts into a daunting and time-consuming task. Here we developed a high-throughput feedstocks-to-fuels screening platform to address these challenges. The result is a miniaturized semi-automated platform that leverages the capabilities of a solid handling robot, a liquid handling robot, analytical instruments, and a centralized data repository, adapted to operate as an ionic-liquid-based biomass conversion pipeline. The pipeline was tested by using sorghum as feedstock, the biocompatible ionic liquid cholinium phosphate as pretreatment solvent, a “one-pot” process configuration that does not require ionic liquid removal after pretreatment, and an engineered strain of the yeast Rhodosporidium toruloides that produces the jet-fuel precursor bisabolene as a conversion microbe. By the simultaneous processing of 48 samples, we show that this configuration and reaction conditions result in sugar yields (~70%) and bisabolene titers (~1500 mg/L) that are comparable to the efficiencies observed at larger scales but require only a fraction of the time. We expect that this Feedstocks-to-Fuels pipeline will become an effective tool to screen thousands of bioenergy crop and feedstock samples and assist process optimization efforts and the development of predictive deconstruction approaches.

09 BIOMASS FUELS↗

Generalizing a Data Analysis Pipeline in the Cloud to Handle Diverse Use Cases in NASA's EOSDIS

NASA's Earth Observing System Data and Information System (EOSDIS) is tasked with archiving and distributing Earth Observation data across a range of disciplines, including atmospheric science, oceanography, land processes, natural hazards, solar radiance and even socioeconomic aspects relating to the environment. Driven by rapidly rising data volumes, EOSDIS is migrating to a cloud computing based archive over the next few years. Although this simplifies data management somewhat, the main aim is to provide the data in an environment where end users can bring their analysis to the data rather than attempting to download and manage ever-increasing volumes. To that end, a cloud-based analysis platform is being constructed to enable data transformations, analyses and visualization without egressing the data from the cloud. In this endeavor, we expect a wide variety of users, algorithms and use cases. Consequently, the architecture of this cloud analytics platform is expressly designed to be based on open services, thus fostering an ecosystem that enables the efficient combination of common components with data-specific or analysis-specific components. Reviewed and approved by Andrew Mitchell, ESDIS project manager.

Cloud computing↗

Automated Cardiovascular Pathology Assessment using Semantic Segmentation and Ensemble Learning

Cardiac magnetic resonance imaging provides high spatial resolution, enabling improved extraction of important functional and morphological features for cardiovascular disease staging. Segmentation of ventricular cavities and myocardium in cardiac cine sequencing provides a basis to quantify cardiac measures such as ejection fraction. A method is presented that curtails the expense and observer bias of manual cardiac evaluation by combining semantic segmentation and disease classification into a fully automatic processing pipeline. The initial processing element consists of a robust dilated convolutional neural network architecture for voxel-wise segmentation of the myocardium and ventricular cavities. The resulting comprehensive volumetric feature matrix captures diagnostic clinical procedure data and is utilized by the final processing element to model a cardiac pathology classifier. Our approach evaluated anonymized cardiac images from a training data set of 100 patients (4 pathology groups, 1 healthy group, 20 patients per group) examined at the University Hospital of Dijon. The top average Dice index scores achieved were 0.940, 0.886, 0.849 for structure segmentation of the left ventricle (LV), myocardium and right ventricle (RV) respectively. A 5-ary pathology classification accuracy of 90% was recorded on an independent test set using the trained model. Performance results demonstrate potential for advanced machine learning methods to deliver accurate, efficient and reproducible cardiac pathological assessment.

Semantic Segmentation↗

BLADE: An Automated Framework for Classifying Light Curves from the Center for Near-Earth Object Studies Fireball Database

Fireballs (bolides) are high-energy luminous phenomena produced when meteoroids and small asteroids enter Earth’s atmosphere at hypersonic speeds, often resulting in fragmentation or complete disintegration accompanied by significant energy release. The resulting bolide light curves capture temporal brightness variations as these objects traverse increasingly dense atmospheric layers, providing essential information on meteoroid entry dynamics, fragmentation behavior, and atmospheric energy deposition processes. The Center for Near-Earth Object Studies’ (CNEOS) continuously expanding fireball database offers a globally comprehensive archive of bolide events, including light curves and associated metadata. Events associated with infrasound detections allow direct correlations between acoustic signatures and light curve features, therefore enabling detailed analyses of fragmentation dynamics and energy deposition. Here, we introduce Bolide Light-curve Analysis and Discrimination Explorer (BLADE), a robust and high-fidelity framework specifically designed to analyze bolide light curves for objects detected from space. BLADE incorporates a processing pipeline integrating Savitzky–Golay filtering, prominence-based peak detection, and gradient analysis, enabling systematic identification and classification of fragmentation events and their associated energy release characteristics. Preliminary results demonstrate that BLADE reliably distinguishes distinct bolide behaviors, providing an objective, scalable methodology for characterization and analysis of large bolide light curve data sets. This foundational work establishes a novel pathway for advanced bolide research, with promising applications in planetary defense and global atmospheric monitoring. Future research should adopt an integrative approach combining CNEOS optical data with complementary infrasound measurements, further clarifying relationships between bolide energy deposition and acoustic signatures, thus refining our understanding of meteoroid and asteroid atmospheric entry processes.

Asteroids↗

Numerical Simulation on Liquid Hydrogen Chill-Down Process of Vertical Pipeline

In order to improve the cryogenic propellant management technologies for a liquid hydrogen rocket with high specific impulse, JAXA, the University of Tokyo, and the NASA Glenn Research Center have jointly organized a multi-agency model validation collaboration project. As part of this project, JAXA's boiling simulation was validated with NASA's experimental data on vertical pipeline chill-down. Simulation results were in good agreement with the experimental data obtained using an improved boiling model to reproduce the spray flow. This activity achieved liquid hydrogen turbo-pump simulation at JAXA for grasping the boiling flow phenomenon from engine cut-off to re-ignition. This joint research resulted in an international cooperative relationship for discussing the cryogenic propellant management technologies necessary to develop next-generation liquid rockets.

Umemura, Yutaka↗

NanoPSD: A software for automatic detection of Nano-Particle Shape Distribution in electron microscopy images

Accurate quantification of the size and morphology of nanoparticles from electron microscopy (EM) images is essential to understand growth mechanisms, surface reactivity, and functional behavior in nanoscale materials. Manual analysis remains slow, subjective, and difficult to reproduce in large datasets. We introduce NanoPSD (Nano-Particle Shape Distribution), an open-source and fully automated framework for quantitative particle detection and morphology analysis from EM images. NanoPSD integrates adaptive contrast enhancement, polarity-agnostic scale-bar detection, Optical Character Recognition (OCR)-based calibration, and classical segmentation via Otsu thresholding with morphological refinement. Particle contours are used to extract geometric descriptors, including equivalent circular diameter, aspect ratio, circularity, and solidity, enabling automated classification into spherical, rod-like, and aggregate morphologies. The framework supports both single-image and batch processing, generating publication-quality visualizations, LaTeX-ready tables, and structured comma-separated values (CSV) datasets. As a demonstration, we applied NanoPSD to plasma-synthesized nanoparticle samples diagnosed via transmission electron microscopy (TEM). The code produced statistically robust size and morphology distributions spanning a few to tens of nanometers with minimal user supervision. The pipeline demonstrates high reproducibility and scalability, processing large image collections with consistent calibration and output formatting. Its modular design enables seamless integration of future deep-learning-based segmentation models, providing a pathway toward intelligent, data-driven electron microscopy analysis.

36 MATERIALS SCIENCE↗

OpenSAMPL: An Open Source Library for Timing and Synchronization Measurements and Analytics

Today's power grid operators are implementing timing and synchronization solutions that provide resilience to Global Navigation Satellite System (GNSS) vulnerabilities. These vendor-specific solutions often come with additional software applications that are designed to monitor that vendor's synchronization performance data. However, resilient timing architectures often resulting in multi-vendor solutions, including approaches that blend terrestrial clocks with space-based subscription services. In such an environment, collecting, analyzing, and visualizing data from a variety of sources within a single platform was heretofore not possible. To address this need, the US Department of Energy's Center for Alternative Synchronization and Timing (CAST) developed OpenSAMPL, the Open Synchronized Analytics and Monitoring Platform, an open-source Python framework for processing, loading, and observing clock measurement data from distributed devices. OpenSAMPL enables the ingestion of diverse clock-probe sources into a scalable time-series database and applies robust analytics. OpenSAMPL currently supports two vendor data pipelines, and will be extended to more in the near future, enabling seamless monitoring of a variety of timing and synchronization devices in a common environment.

Grant, Josh [ORNL] (ORCID:0000000163475060)↗

Citizen Science Twitter Data Management for Earth Science Applications

Social media data can provide useful real-time and historical information relating to the natural world, but managing this data poses challenges. Scientists at GES DISC are exploring the potential of Twitter data to augment precipitation data from the Global Precipitation Measurement (GPM) mission. However, the format of Twitter data is unconventional in the context of NASA data centers, resulting in frustration for scientists who need to work with the data. This study investigated procedures and standards needed to properly manage Twitter data to make them compatible with these data centers. After comparing databases, the study found that the MongoDB database was best suited for the storage of raw Twitter data due to its flexibility, ability to be accessed by multiple users, and querying functionality. The study used the Python package Zarr to transform processed Twitter data into a gridded format similar to that of satellite data. Each Tweet was mapped onto a time-space grid; each grid location contained information about Tweet attributes and precipitation. The study developed a pipeline for downloading, storing, and gridding Twitter data and transformed Twitter data into an understandable format for users of NASA satellite data.

Li, Rachel↗

Leveraging BERT and Network-Based Attention Analysis for Identifying Treatment Milestones in EHRs

This study introduces a sophisticated data-driven framework for analyzing Electronic Health Records (EHRs) using transformer-based models to identify and disentangle overlapping treatment contexts. The framework leverages a preprocessing pipeline that transforms structured procedural codes into semantically enriched descriptive text, enabling the use of attention mechanisms to cluster medical events into treatment milestones—cohesive and distinct components of care processes. The methodology is rigorously validated using synthetic datasets derived from the MIMIC-III database, designed to simulate the heterogeneity and overlapping procedural contexts characteristic of real-world EHR scenarios. Quantitative evaluation highlights the framework’s robustness in disentangling concurrent care pathways, with attention metrics and unsupervised clustering approaches demonstrating the ability to preserve intra-context relationships while distinguishing inter-context dependencies. By addressing challenges inherent in data heterogeneity, this approach provides a foundation for uncovering complex treatment patterns, advancing clinical decision-making, and optimizing resource allocation in diverse healthcare environments.

Kim, Minsu [ORNL] (ORCID:0000000224185535)↗

Data for "Enhancing Lipid Production in Plant Cells through Automated High-Throughput Genome Engineering and Phenotyping"

Plant bioengineering is a time-consuming and labor-intensive process with no guarantee of achieving desired traits. Here, we present a fast, automated, scalable, high-throughput pipeline for plant bioengineering (FAST-PB) in maize (Zea mays) and Nicotiana benthamiana. FAST-PB enables genome editing and product characterization by integrating automated biofoundry engineering of callus and protoplast cells with single-cell matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS). We first demonstrated that FAST-PB could streamline Golden Gate cloning, with the capacity to construct 96 vectors in parallel. Using FAST-PB in protoplasts, we found that PEG2050 increased transfection efficiency by over 45%. For proof-of-concept, we established a reporter-gene-free method for CRISPR editing and phenotyping via mutation of high chlorophyll fluorescence 136. We show that diverse lipids were enhanced up to 6-fold using CRISPR activation of lipid controlling genes. In callus cells, an automated transformation platform was employed to regenerate plants with enhanced lipid traits through introducing multigene cassettes. Lastly, FAST-PB enabled high-throughput single-cell lipid profiling by integrating MALDI-MS with the biofoundry, protoplast, and callus cells, differentiating engineered and unengineered cells using single-cell lipidomics. These innovations massively increase the throughput of synthetic biology, genome editing, and metabolic engineering and change what is possible using single-cell metabolomics in plants.

AI/ML↗

Dark Energy Survey Year 6 Results: Synthetic-source Injection Across the Full Survey Using Balrog

Synthetic source injection (SSI), the insertion of sources into pixel-level on-sky images, is a powerful method for characterizing object detection and measurement in wide-field, astronomical imaging surveys. Within the Dark Energy Survey (DES), SSI plays a critical role in characterizing all necessary algorithms used in converting images to catalogs, and in deriving quantities needed for the cosmology analysis, such as object detection rates, galaxy redshift estimation, galaxy magnification, star-galaxy classification, and photometric performance. We present here a source injection catalog of 146 million injections spanning the entire 5000 deg 2 DES footprint, generated using the Balrog SSI pipeline. Through this SSI sample, we demonstrate that the DES Year 6 (Y6) image processing pipeline provides accurate estimates of the object properties, for both galaxies and stars, at the percent-level, and we highlight specific regimes where the accuracy is reduced. We then show the consistency between SSI and data catalogs, for all galaxy samples developed within the weak lensing and galaxy clustering analyses of DES Y6. The consistency between the two catalogs also extends to their correlations with survey observing properties (seeing, airmass, depth, extinction, etc.). Lastly, we highlight a number of applications of this catalog to the DES Y6 cosmology analysis, such as estimates of the redshift distribution and lens magnification. This dataset is the largest SSI catalog produced at this fidelity and will serve as a key testing ground for exploring the utility of SSI catalogs in upcoming surveys such as the Vera C. Rubin Observatory Legacy Survey of Space and Time.

79 ASTRONOMY AND ASTROPHYSICS↗

Streaming Large-Scale Microscopy Data to a Supercomputing Facility

Data management is a critical component of modern experimental workflows. As data generation rates increase, transferring data from acquisition servers to processing servers via conventional file-based methods is becoming increasingly impractical. The 4D Camera at the National Center for Electron Microscopy generates data at a nominal rate of 480 Gbit s -1 (87,000 frames s -1 ⁠), producing a 700 GB dataset in 15 s. To address the challenges associated with storing and processing such quantities of data, we developed a streaming workflow that utilizes a high-speed network to connect the 4D Camera’s data acquisition system to supercomputing nodes at the National Energy Research Scientific Computing Center, bypassing intermediate file storage entirely. In this work, we demonstrate the effectiveness of our streaming pipeline in a production setting through an hour-long experiment that generated over 10 TB of raw data, yielding high-quality datasets suitable for advanced analyses. Additionally, we compare the efficacy of this streaming workflow against the conventional file-transfer workflow by conducting a postmortem analysis on historical data from experiments performed by real users. Our findings show that the streaming workflow significantly improves data turnaround time, enables real-time decision-making, and minimizes the potential for human error by eliminating manual user interactions.

4D-STEM↗

Multiprocessing tradeoffs and the wind-tunnel simulation problem

The architecture tradeoff issue is discussed, concentrating on an oversimplified version of the multiprocessing aspect. A degree of symmetric multiprocessing is unavoidable; the choice is either complete symmetric multiprocessing or a number of identical pipelines. The processing elements can be geared to do either plane-multiprocessing, or line-multiprocessing. Other important design choices are the number notation, word length, main memory size, cache memory size, and different means to implement data transport.

Chen, T. C.↗

Coordinated Natural Gas and Electric Planning: Case Studies of Current Approaches and Practices

This paper examines how natural gas and electric utilities across eight U.S. states and two Canadian provinces are beginning to coordinate historically separate planning processes in response to growing system interdependencies, policy mandates, aging infrastructure, and changing customer energy choices. Electricity planning has long relied on robust integrated resource planning frameworks that weigh numerous objectives, risks, and costs. Natural gas planning, on the other hand, is typically less transparent and more narrowly focused on safety and system integrity. As economic, reliability, and policy drivers place new and shared demands on both systems, jurisdictions and utilities are experimenting with approaches such as coordinated forecasting, non pipeline alternatives, and combined planning pilots. A few have issued regulatory or statutory directives for greater data sharing and methodological alignment. Case studies from British Columbia, California, Colorado, Illinois, Massachusetts, Minnesota, New York, Québec, Rhode Island, and Washington illustrate a wide range of approaches to rethinking siloed planning. The paper identifies several common themes across the jurisdictions examined. It provides observations on the methods, processes, and organizational steps that may be needed in the future to address the challenges being faced by states and utilities. Lastly, it identifies some initial steps that states and utilities can consider if they would like to pursue more integrated, cost-effective, policy-aligned energy system planning.

03 NATURAL GAS↗