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At least 109 records · Page 6

Likelihood-based interactive local docking into cryo-EM maps in ChimeraX

The interpretation of cryo-EM maps often includes the docking of known or predicted structures of the components, which is particularly useful when the map resolution is worse than 4 Å. Although it can be effective to search the entire map to find the best placement of a component, the process can be slow when the maps are large. However, frequently there is a well-founded hypothesis about where particular components are located. In such cases, a local search using a map subvolume will be much faster because the search volume is smaller, and more sensitive because optimizing the search volume for the rotation-search step enhances the signal to noise. A Fourier-space likelihood-based local search approach, based on the previously published em_placement software, has been implemented in the new emplace_local program. Tests confirm that the local search approach enhances the speed and sensitivity of the computations. An interactive graphical interface in the ChimeraX molecular-graphics program provides a convenient way to set up and evaluate docking calculations, particularly in defining the part of the map into which the components should be placed.

59 BASIC BIOLOGICAL SCIENCES

Classification of wetlands vegetation using small scale color infrared imagery

A classification system for Chesapeake Bay wetlands was derived from the correlation of film density classes and actual vegetation classes. The data processing programs used were developed by the Laboratory for the Applications of Remote Sensing. These programs were tested for their value in classifying natural vegetation, using digitized data from small scale aerial photography. Existing imagery and the vegetation map of Farm Creek Marsh were used to determine the optimal number of classes, and to aid in determining if the computer maps were a believable product.

Williamson, F. S. L.

DLES Unreal Simulation Tool (DUST)

NASA’s future Artemis missions to the Moon seek to explore areas around the Lunar South Pole. Though humans have previously set foot on the lunar surface, the proposed region provides unique and challenging environments that require insight and investigation prior to arrival. Several teams throughout the agency are performing this site and mission planning, design, and analysis to support areas like the Human Landing System (HLS), surface mobility, habitation elements, and scientific exploration. The NASA Exploration Systems Simulation (NExSyS) team at Johnson Space Center is developing a graphical environment of the Lunar South Pole region. Lunar terrain information collected from the Lunar Reconnaissance Orbiter (LRO) is compiled and made available through Johnson Space Center’s Digital Lunar Exploration Sites (DLES) data sets. The DLES data is used to build this graphic environment. The process of ingesting and accurately modeling this information in a meaningful way for analysis creates its own challenges such as generating a performant model from the source data and the application of curvature. Additionally, the area around the Lunar South Pole experiences different lighting conditions than those observed from the Apollo missions. The need to use the lunar environmental data products provided by DLES combined with the capability to calculate date specific ephemerides in real-time has given rise to the development of the DLES Unreal Simulation Tool (DUST). DUST incorporates augmented terrain from the DLES product into a desktop application that allows exploration of the Lunar South Pole region and its complex lighting conditions. DUST leverages advanced capabilities in the recently released Unreal Engine 5 renderer by Epic Games such as double precision for positioning of planetary bodies and surface elements, multiple infinite light sources to represent the Sun and eventually Earthshine, high resolution shadow maps for dynamic shadow accuracy, real-time software ray-tracing for multi-surface bounce lighting to render sunlight reflected off surface elements and terrain features, and performance optimized level of detail shifting as the eyepoint changes in a scene. This paper details the DUST application, the technologies of the engine platform that enable scientific and engineering analysis, the unique techniques and processes developed to consume the DLES data sets, and how the tool is being used to support the Artemis program.

Lunar Visualization

Availability of Subsurface Water-Ice Resources in the Northern Mid-Latitudes of Mars

Multiple nations and private entities are pushing to make landing humans on Mars a reality. The majority of proposed mission architectures envision “living off the land” by leveraging Martian water-ice deposits for fuel production and other purposes. Fortunately for mission designers, water ice exists on Mars in plentiful volumes. The challenge is isolating accessible ice deposits within regions that optimize other preferred landing-site conditions. Here, we present the first results of the Mars Subsurface Water Ice Mapping (SWIM) project, which has the aim of searching for buried ice resources across the mid-latitudes. Through the integration of orbital datasets in concert with new data-processing techniques, the SWIM project assesses the likelihood of ice by quantifying the consistency of multiple, independent data sources with the presence of ice. Concentrating our efforts across a significant portion of the northern Hemisphere, our composite ice consistency maps indicate that the broad plains of Arcadia and the extensive glacial networks across Deuteronilus Mensae match the greatest number of remote sensing criteria for accessible ice-rich, subsurface material situated equatorward of the contemporary ice-stability zone.

G A Morgan

Human Cargo Resupply Logistics at Mars Using 150kW SEP Tug Cyclers

The ultimate goal of the Evolvable Mars Campaign is to build up a sustainable outpost at Mars that would be continually staffed with rotating crews. During this stage of human Mars exploration, it would be necessary to provision the crews with equipment and supplies both before and during their missions. In this paper, we study the use of 150 kW reusable SEP tugs as a means to deliver elements both to orbit and to the surface. The SEP tugs would make use of technology currently being developed for the proposed Asteroid Robotic Redirect Mission (ARRM). They would also be used to deliver food and supplies to sustain the crews similar to resupply missions for the International Space Station. The SEP tugs envisioned would be staged at a quasi-stable Lunar Near Rectilinear Orbit (NRO). The tugs would then mate with cargo vessels and xenon propellant being delivered by an SLS launch vehicle and continue on to Mars orbit where the cargo is delivered and the SEP tug returns to NRO to repeat the process. It was found that it is more efficient to deliver surface cargo via direct launch and entry versus using the tug cycler. Thousands of optimized low-thrust trajectories were simulated in order to create “Bacon plots” (like porkchop plots, but for low thrust transfers) in order to map out potential trajectories for dates from 2039 to 2052. This study maps out the buildup of a surface outpost as well as the necessary orbital and surface resupply launches in order to maintain it. In the steady state, a cadence of 9 cargo launches is required every 4 years to sustain the human outpost.

Post, Kevin

A New Approach to Monitoring Coastal Marshes for Persistent Flooding

Many areas in coastal Louisiana are below sea level and protected from flooding by a system of natural and man-made levees. Flooding is common when the levees are overtopped by storm surge or rising rivers. Many levees in this region are further stressed by erosion and subsidence. The floodwaters can become constricted by levees and trapped, causing prolonged inundation. Vegetative communities in coastal regions, from fresh swamp forest to saline marsh, can be negatively affected by inundation and changes in salinity. As saltwater persists, it can have a toxic effect upon marsh vegetation causing die off and conversion to open water types, destroying valuable species habitats. The length of time the water persists and the average annual salinity are important variables in modeling habitat switching (cover type change). Marsh type habitat switching affects fish, shellfish, and wildlife inhabitants, and can affect the regional ecosystem and economy. There are numerous restoration and revitalization projects underway in the coastal region, and their effects on the entire ecosystem need to be understood. For these reasons, monitoring persistent saltwater intrusion and inundation is important. For this study, persistent flooding in Louisiana coastal marshes was mapped using MODIS (Moderate Resolution Imaging Spectroradiometer) time series of a Normalized Difference Water Index (NDWI). The time series data were derived for 2000 through 2009, including flooding due to Hurricane Rita in 2005 and Hurricane Ike in 2008. Using the NDWI, duration and extent of flooding can be inferred. The Time Series Product Tool (TSPT), developed at NASA SSC, is a suite of software developed in MATLAB(R) that enables improved-quality time series images to be computed using advanced temporal processing techniques. This software has been used to compute time series for monitoring temporal changes in environmental phenomena, (e.g. NDVI times series from MODIS), and was modified and used to compute the NDWI indices and also the Normalized Difference Soil Index (NDSI). Coastwide Reference Monitoring System (CRMS) water levels from various hydrologic monitoring stations and aerial photography were used to optimize thresholds for MODIS-derived time series of NDWI and to validate resulting flood maps. In most of the profiles produced for post-hurricane assessment, the increase in the NDWI index (from storm surge) is accompanied by a decrease in the vegetation index (NDVI) and then a period of declining water. The NDSI index represents non-green or dead vegetation and increases after the hurricane s destruction of the marsh vegetation. Behavior of these indices over time is indicative of which areas remain flooded, which areas recover to their former levels of vegetative vigor, and which areas are stressed or in transition. Tracking these indices over time shows the recovery rate of vegetation and the relative behavior to inundation persistence. The results from this study demonstrated that identification of persistent marsh flooding, utilizing the tools developed in this study, provided an approximate 70-80 percent accuracy rate when compared to the actual days flooded at the CRMS stations.

Kalcic, M. T.

Distortion-free mapping of VISSR imagery data from geosynchronous satellites

The formulation is rigorous and includes all misalignment angles of the VISSR, the sun sensor and the instantaneous spin axis with the satellite's body axis. It also includes the effects due to the motion of the satellite's suborbital point. All the mapping equations for distortion removal were reduced to simplest forms, and all the algorithms were optimized as much as possible. An approach was then formulated for implementing these algorithms for in-line operational use. It is concluded that in-line distortion removal is possible in real-time processing of infra-red but not visible VISSR imagery data.

Chan, F. K.

Airfoil optimization with efficient gradient calculations

The viscous airfoil design analysis code XFOIL was extended to allow optimization using conformal mapping coefficients as design variables. The optimization technique used was the Steepest Descent method applied to a Penalty Function. The gradients of the aerodynamic variables with respect to the design variables were cheaply calculated as by-products of XFOIL's integral boundary layer Newton solver. The speed of the optimization process further increased by updating the Newton system boundary layer variables after each optimization step using the available gradient information. Two examples are presented.

Sorensen, Thomas

Soil Moisture Active Passive (SMAP) observer power system architecture

The Soil Moisture Active and Passive (SMAP) observer is scheduled for launch in 2014. The primary science objective of SMAP is the high-resolution mapping of earth’s soil moisture. These measurements will be used to enhance understanding of processes that link the water, energy and carbon cycles, and to extend the capabilities of weather and climate prediction models. The SMAP orbit, sun-synchronous with an altitude of 680 km, was chosen to optimize the sampling characteristics of the instruments while ensuring that the resolution requirements are met. The combined active radar and passive radiometer measurement approach takes advantage of the spatial resolutions of the radar (3 km x 1000 km) and the radiometer (39 km x 47 km).

Carr, Gregory

Using active learning to improve quasar identification for the DESI spectra processing pipeline

The Dark Energy Spectroscopic Instrument (DESI) survey uses an automatic spectral classification pipeline to classify spectra. QuasarNET is a convolutional neural network used as part of this pipeline originally trained using data from the Baryon Oscillation Spectroscopic Survey (BOSS). In this paper we implement an active learning algorithm to optimally select spectra to use for training a new version of the QuasarNET weights file using only DESI data, with the goal of improving classification accuracy. This active learning algorithm includes a novel outlier rejection step using a Self-Organizing Map to ensure we label spectra representative of the larger quasar sample observed in DESI. We perform two iterations of the active learning pipeline, assembling a final dataset of 5600 labeled spectra, a small subset of the approximately 1.3 million quasar targets in DESI's Data Release 1. When splitting the spectra into training and validation subsets we achieve similar performance to the previously trained weights file in completeness and purity calculated on the validation dataset but do so with less than one tenth of the amount of training data. The new weights also more consistently classify objects in the same way when used on unlabeled data compared to the old weights file. In the process of improving QuasarNET's classification accuracy we discovered a systemic error in QuasarNET's redshift estimation and used our findings to improve our understanding of QuasarNET's redshifts.

Machine learning

Non-parametric analysis of LANDSAT maps using neural nets and parallel computers

Nearest neighbor approaches and a new neural network, the Binary Diamond, are used for the classification of images of ground pixels obtained by LANDSAT satellite. The performances are evaluated by comparing classifications of a scene in the vicinity of Washington DC. The problem of optimal selection of categories is addressed as a step in the classification process.

Salu, Yehuda

The Design and Evaluation of "CAPTools"--A Computer Aided Parallelization Toolkit

Writing applications for high performance computers is a challenging task. Although writing code by hand still offers the best performance, it is extremely costly and often not very portable. The Computer Aided Parallelization Tools (CAPTools) are a toolkit designed to help automate the mapping of sequential FORTRAN scientific applications onto multiprocessors. CAPTools consists of the following major components: an inter-procedural dependence analysis module that incorporates user knowledge; a 'self-propagating' data partitioning module driven via user guidance; an execution control mask generation and optimization module for the user to fine tune parallel processing of individual partitions; a program transformation/restructuring facility for source code clean up and optimization; a set of browsers through which the user interacts with CAPTools at each stage of the parallelization process; and a code generator supporting multiple programming paradigms on various multiprocessors. Besides describing the rationale behind the architecture of CAPTools, the parallelization process is illustrated via case studies involving structured and unstructured meshes. The programming process and the performance of the generated parallel programs are compared against other programming alternatives based on the NAS Parallel Benchmarks, ARC3D and other scientific applications. Based on these results, a discussion on the feasibility of constructing architectural independent parallel applications is presented.

Yan, Jerry

Approach range and velocity determination using laser sensors and retroreflector targets

A laser docking sensor study is currently in the third year of development. The design concept is considered to be validated. The concept is based on using standard radar techniques to provide range, velocity, and bearing information. Multiple targets are utilized to provide relative attitude data. The design requirements were to utilize existing space-qualifiable technology and require low system power, weight, and size yet, operate from 0.3 to 150 meters with a range accuracy greater than 3 millimeters and a range rate accuracy greater than 3 mm per second. The field of regard for the system is +/- 20 deg. The transmitter and receiver design features a diode laser, microlens beam steering, and power control as a function of range. The target design consists of five target sets, each having seven 3-inch retroreflectors, arranged around the docking port. The target map is stored in the sensor memory. Phase detection is used for ranging, with the frequency range-optimized. Coarse bearing measurement is provided by the scanning system (one set of binary optics) angle. Fine bearing measurement is provided by a quad detector. A MIL-STD-1750 A/B computer is used for processing. Initial test results indicate a probability of detection greater than 99 percent and a probability of false alarm less than 0.0001. The functional system is currently at the MIT/Lincoln Lab for demonstration.

Donovan, William J.

ON-OFF neuromorphic ISING machines using Fowler-Nordheim annealers

We introduce NeuroSA, a neuromorphic architecture specifically designed to ensure asymptotic convergence to the ground state of an Ising problem using a Fowler-Nordheim quantum mechanical tunneling based threshold-annealing process. The core component of NeuroSA consists of a pair of asynchronous ON-OFF neurons, which effectively map classical simulated annealing dynamics onto a network of integrate-and-fire neurons. The threshold of each ON-OFF neuron pair is adaptively adjusted by an FN annealer and the resulting spiking dynamics replicates the optimal escape mechanism and convergence of SA, particularly at low-temperatures. To validate the effectiveness of our neuromorphic Ising machine, we systematically solved benchmark combinatorial optimization problems such as MAX-CUT and Max Independent Set. Across multiple runs, NeuroSA consistently generates distribution of solutions that are concentrated around the state-of-the-art results (within 99%) or surpass the current state-of-the-art solutions for Max Independent Set benchmarks. Furthermore, NeuroSA is able to achieve these superior distributions without any graph-specific hyperparameter tuning. For practical illustration, we present results from an implementation of NeuroSA on the SpiNNaker2 platform, highlighting the feasibility of mapping our proposed architecture onto a standard neuromorphic accelerator platform.

42 ENGINEERING

Automated scanning probe microscopy of combinatorial ferroelectric libraries: Gaussian-process-guided exploration and noise-aware experiment planning

Combinatorial materials libraries provide an efficient route for mapping composition–property relationships, but their broader impact depends on rapid, quantitative, and functionally relevant characterization. Scanning Probe Microscopy (SPM), including piezoresponse force microscopy (PFM), offers significant potential for quantitative, functionally relevant combi-library readouts. Here, we implement a fully automated SPM workflow for ferroelectric combinatorial libraries and benchmark Gaussian-process-based Bayesian optimization strategies for autonomous experiment planning. The workflow integrates automated probe motion, contact optimization, imaging, and dual amplitude resonance tracking-PFM spectroscopy, and uses scalarized spectroscopic observables to guide subsequent measurements. Stage motion, probe engagement, in-contact tuning, imaging, spectroscopy, and the choice of the next measurement location all proceed without human input. We demonstrate the approach on Sm-doped BiFeO 3 and Zn x Mg 1−x O libraries. By comparing vanilla Bayesian optimization with a measured-noise variant, we show that explicit treatment of local reproducibility can improve modeling of composition-dependent response when the measured variance is physically meaningful, but can also reduce robustness when variability is dominated by outliers or topographic artifacts. Furthermore, these results establish automated SPM as a bridge between combinatorial synthesis and quantitative functional characterization.

Liu, Yu [University of Tennessee, Knoxville, TN (U

Toward Drilling the Perfect Geothermal Well: An International Research Coordination Network for Geothermal Drilling Optimization Supported by Deep Machine Learning and Cloud Based Data Aggregation

The EDGE project, supported by the U.S. Department of Energy Geothermal Technologies Office under award DE-EE0008793, established a data-driven framework for improving the efficiency, cost-effectiveness, and reliability of geothermal well drilling. The project focused on developing scalable data infrastructure, advanced machine learning and probabilistic models, and integrated analytics tools to support continuous drilling optimization. A central objective was to reduce geothermal drilling costs by up to seventy percent while minimizing the risk of well failure through predictive diagnostics and adaptive planning. Over the project period, a comprehensive data repository was designed and deployed, incorporating records from over one hundred geothermal wells across varied geological settings. This repository supported both structured and unstructured data and adhered to FAIR data principles, enabling provenance tracking, quality control, and standardized metadata. The project introduced automated ingestion pipelines and a cloud-hosted platform that facilitated access to raw, processed, and derived datasets. This infrastructure served as the foundation for model development and analysis. Machine learning workflows were developed to predict key drilling metrics including rate of penetration, non-productive time, and total drilling costs. Self-organizing maps and dimensionality reduction methods were used to uncover operational patterns and outliers, while supervised learning algorithms such as random forests and deep neural networks were applied to forecast performance outcomes. The models were validated on heterogeneous datasets from both U.S. and Icelandic fields, demonstrating variable but significant predictive accuracy. The results indicated that finer temporal resolution, inclusion of lithological data, and consistency in operational annotations could substantially improve model performance. The project also implemented process mining techniques to reconstruct state-transition models from drilling event logs. These models enabled the identification of deviations from optimal workflows and provided insights into recurring failure modes. Analysis of non-productive time highlighted the impact of equipment failures, geological challenges, and human factors, offering opportunities for targeted mitigation strategies. The EDGE Dashboard was developed as a web-based expert system integrating data visualization, model outputs, and user-driven queries. It provided an accessible interface for operators to explore historical data, evaluate predicted outcomes, and compare drilling scenarios. Initial feedback from project partners suggested that the dashboard could serve as a foundation for more advanced advisory and optimization tools. Overall, the EDGE project demonstrated the feasibility and value of applying modern data science techniques to geothermal drilling. It delivered a set of interoperable tools and models that can support more efficient, lower-risk well development. The findings point toward a viable path for transitioning from advisory analytics to semi-autonomous drilling systems, contingent on continued collaboration, expanded datasets, and field validation. The project results have immediate relevance for drilling operations, data management practices, and future geothermal R&D efforts aimed at achieving reliable, cost-competitive geothermal energy at scale.

15 GEOTHERMAL ENERGY

Grid flexibility and patching techniques

The numerical determination of combustor flowfields is of great value to the combustor designer. An a priori knowledge of the flow behavior can speed the combustor design process and reduce the number of experimental test rigs required to arrive at an optimal design. Even 2-D steady incompressible isothermal flow predictions are of use; many codes of this kind are available, each employing different techniques to surmount the difficulties arising from the nonlinearity of the governing equations and from typically irregular combustor geometries. Mapping techniques (algebraic and elliptic PDE), and adaptive grid methods (both multi-grid and grid embedding) as applied to axisymmetric combustors are discussed.

Keith, T. G.

Recent Advances in LIBS for Real-Time Detection of Silicone Contaminants on CFRP Surfaces

Laser induced breakdown spectroscopy (LIBS) is a materials characterization technique that has been advanced and refined to provide in situ, real-time quality control of carbon fiber reinforced polymer (CFRP) surfaces. As part of an effort to improve process control for adhesive bonding, a LIBS system was designed and assembled at NASA Langley Research Center (LaRC) to enable detection of ultralow concentrations of silicone contamination on CFRP adherends. The LIBS instrument provides high sensitivity detection and quasi-nondestructive surface characterization of CFRP adherends prior to adhesive bonding. This review focuses on the advancements at LaRC using LIBS as a quality control tool for the detection of silicone contaminants for improved adhesive bonding reliability of CFRP materials. This work describes how the LIBS technique was advanced by analyzing the laser parameters, studying the laser-matter interactions, and performing time-resolved measurements to determine the optimal plasma conditions for elemental detection. In addition, LIBS results were compared to X-ray photoelectron spectroscopy data to enable quantitative analysis from analytical calibration curves. Examples are shown of how to perform surface mapping of silicone contamination. Finally, a brief discussion is also presented on LIBS instrumentation, recommendations for laser parameters and instrumentation components, and LIBS technique maturity.

Surface characterization, Carbon fiber reinforced