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DOE OSTI2024

AmpSuite

Seismic amplitudes offer vital information about explosion source characteristics, including discrimination and yield estimation. To take advantage of this, we developed an interactive Python package to measure, control data quality, generate broad area propagation models and perform discrimination and estimate yield. Propagation models are essential in support of transportable yield and broad area discrimination. The key benefit of this package will be its ability to continuously integrate data and new techniques. The AmpSuite framework will provide standardized, repeatable, and accurate model generation and characterization routines. The capability is crucial for monitoring agencies tasked with rapid and high-quality seismic event characterization. The AmpSuite software includes a series of independent modules to perform: • Direct Phase Amplitude Measurement and Storage • Coda Envelope Measurement and Storage • Data Quality Control • New Propagation Model Developments • Seismic Discrimination and Analysis • Yield Estimation and supporting utility software. The AmpSuite software provides comprehensive solutions for monitoring agencies seeking to optimize model generation and event analysis within a contemporary Python framework. Stakeholders (AFTAC) have begun to move towards the Python language for scientific analysis as a new workforce emerges.

Alfaro, Richard↗

DOE OSTI2023

Machine learning in analytical spectroscopy for nuclear diagnostics [Invited]

Analytical spectroscopy methods have shown many possible uses for nuclear material diagnostics and measurements in recent studies. In particular, the application potential for various atomic spectroscopy techniques is uniquely diverse and generates interest across a wide range of nuclear science areas. Over the last decade, techniques such as laser-induced breakdown spectroscopy, Raman spectroscopy, and x-ray fluorescence spectroscopy have yielded considerable improvements in the diagnostic analysis of nuclear materials, especially with machine learning implementations. These techniques have been applied for analytical solutions to problems concerning nuclear forensics, nuclear fuel manufacturing, nuclear fuel quality control, and general diagnostic analysis of nuclear materials. The data yielded from atomic spectroscopy methods provide innovative solutions to problems surrounding the characterization of nuclear materials, particularly for compounds with complex chemistry. Implementing these optical spectroscopy techniques can provide comprehensive new insights into the chemical analysis of nuclear materials. In particular, recent advances coupling machine learning methods to the processing of atomic emission spectra have yielded novel, robust solutions for nuclear material characterization. This review paper will provide a summation of several of these recent advances and will discuss key experimental studies that have advanced the use of analytical atomic spectroscopy techniques as active tools for nuclear diagnostic measurements.

Rao, Ashwin P. (ORCID:0000000319312568)↗

DOE OSTI2024

Cool GTL for the Conversion of Biogas to Jet Fuel

Cool GTL is a new process under development for conversion of biogas from digestors or CO2 +H2 to high quality drop in jet fuel. Cool GTL is designed to be a streamlined simplified low cost process which can be cost effective for small scale biogas applications. Cool GTL has the advantage that it uses a high activity bi-reforming catalyst, in a streamlined electric reformer design, to make the synthesis gas for a high conversion slurry fischer Tropsch process followed by a trailing wax cracking reactor. In this way high quality jet fuel can be directly produced. Recent experimental test data will be presented showing product quality. The life cycle analysis LCA will also be presented as well.

09 BIOMASS FUELS↗

NASA NTRS1972

Land utilization and water resource inventories over extended test sites

In addition to the work on the corn blight this year, several other analysis tests were completed which resulted in significant findings. These aspects are discussed as follows: (1) field spectral measurements of soil conditions; (2) analysis of extended test site data; this discussion involves three different sets of data analysis sequences; (3) urban land use analysis, for studying water runoff potentials; and (4) thermal data quality study, as an expansion of our water resources studies involving temperature calibration techniques.

Hoffer, R. M.↗

NASA NTRS1981

Second Eastern Regional Remote Sensing Applications Conference

Participants from state and local governments share experiences in remote sensing applications with one another and with users in the Federal government, universities, and the private sector during technical sessions and forums covering agriculture and forestry; land cover analysis and planning; surface mining and energy; data processing; water quality and the coastal zone; geographic information systems; and user development programs.

Imhoff, M. L.↗

NASA NTRS1983

Study of LANDSAT-D thematic mapper performance as applied to hydrocarbon exploration

Activities in support of thematic mapper "A'-tape analysis, field work in the Cement-Velma, Oklahoma areas, and continued interpretation and assessment of imagery of various test sites are reported. The objectives of the A-tape analysis are: (1) to examine the radiometric loss of data quality introduced by resampling to P-tape format; (2) to seek a better distriping of the image by replacing the NASA matching of radiometry to on-board calibration data with an EarthSat matching of the histograms for each of the sixteen detectors, processing separately for forward and backward scanner sweeps; and (3) to produce an image with improved appearance and improved radiometeric qualities.

Source record↗

NASA NTRS2006

Comanche Helmet-Mounted Display Heading-Tape Simulation

The Aeroflightdynamics Directorate (AMRDEC) conducted a simulation to assess the performance associated with a Contact Analog, world-referenced heading tape as implemented on the Comanche Helmet Integrated Display Sight System (HIDSS) when compared with a Compressed heading tape similar to that specified by the former Military Standard (MIL-STD) 1295. Six experienced pilots flew three modified Aeronautical Design Standards (ADS)-33 maneuvers (Hover Turn, Bob-up, Transient Turn) and a precision traffic pattern in the NASA Vertical Motion Simulator (VMS). Analysis of the pilot objective performance data and subjective handling qualities ratings (HQRs) showed the following: Compressed symbology in the Velocity Stabilization (VelStab) flight mode generally produced the most precise performances over Contact Analog symbology with respect to the heading, altitude, position, and time criteria specified for the maneuvers tested. VelStab outperformed the Automatic Flight Control System (AFCS) on all maneuvers achieving desired performance on most maneuvers for both symbol sets. Performance in the AFCS mode was generally desirable to adequate for heading and altitude and did not meet adequate standards for hover position and time for the Hover Turn and Bob-up maneuvers. VelStab and AFCS performance were nearly the same for the Transient Turn. Pilot comments concerning the Contact Analog heading-tape implementation were generally unfavorable in spite of the achieved levels of performance. HQRs showed Compressed symbology in the VelStab flight mode produced the lowest mean HQR, encompassing mixed ratings of satisfactory handling and needing improvement. All other symbology/flight-mode combinations yielded higher HQRs, which characterized opinions that deficiencies in aircraft handling due to HMD symbology would need improvement. Contact Analog heading tape and other symbology require improvement, especially when operating in the AFCS mode. NASA-TLX rated Compressed symbology in the VelStab flight mode as the least demanding on resources, closely followed by ratings for Contact Analog in the VelStab mode. In a similar pattern, TLX ratings for maneuvers completed in the AFCS mode yielded a higher level of resource demand with even slighter differences between Contact Analog and Compressed symbology sets. Further research should be conducted where objective data and subjective HQR ratings indicate a need for improvement. The areas requiring attention are those where the symbology implementation, the flight control system, or a combination of both caused workload to reach an objectionable level where adequate performance was either difficult to achieve or unachievable. These areas are clearly identified in this report. Symbology that received negative HQR comments by a majority of pilots should also be examined. The summary of pilot comments can be found in appendix A. Additional simulation trials should be considered to address the identified issues.

Turpin, Terry↗

NASA NTRS2009

The 50 Constellation Priority Sites

The Constellation program (CxP) has developed a list of 50 sites of interest on the Moon which will be targeted by the LRO narrow angle camera. The list has also been provided to the M~ team to supplement their targeting list. This list does not represent a "site selection" process; rather the goal was to find "representative" sites and terrains to understand the range of possible surface conditions for human lunar exploration to aid engineering design and operational planning. The list compilers leveraged heavily on past site selection work (e.g. Geoscience and a Lunar Base Workshop - 1988, Site Selection Strategy for a Lunar Outpost - 1990, Exploration Systems Architecture Study (ESAS) - 2005). Considerations included scientific, resource utilization, and operational merits, and a desire to span lunar terrain types. The targets have been organized into two "tiers" of 25 sites each to provide a relative priority ranking in the event of mutual interference. A LEAG SAT (special action team) was established to validate and recommend modifications to the list. This SAT was chaired by Dr. Paul Lucey. They provided their final results to CxP in May. Dr. Wendell Mendell will organize an on-going analysis of the data as they come down to ensure data quality and determine if and when a site has sufficient data to be retired from the list. The list was compiled using the best available data, however, it is understood that with the flood of new lunar data, minor modifications or adjustments may be required.

Noble, S.↗

NASA NTRS2023

Optimizing Retrieval Spaces of Bio-Optical Models for Remote Sensing of Ocean Color

We investigated the optimal number of independent parameters required to accurately represent spectral remote sensing reflectances (𝑅 rs ) by performing principal component analysis on quality controlled in situ and synthetic 𝑅 rs data. We found that retrieval algorithms should be able to retrieve no more than four free parameters from 𝑅 rs spectra for most ocean waters. In addition, we evaluated the performance of five different bio-optical models with different numbers of free parameters for the direct inversion of in-water inherent optical properties (IOPs) from in situ and synthetic 𝑅 rs data. The multi-parameter models showed similar performances regardless of the number of parameters. Considering the computational cost associated with larger parameter spaces, we recommend bio-optical models with three free parameters for the use of IOP or joint retrieval algorithms.

Ocean Color↗

NASA NTRSDate not supplied

pyQuARC: Open Source Library for Earth Observation Metadata Quality Assessment

Metadata quality is essential to effective data discovery and has become increasingly vital as more Earth Science data sets become available. The Common Metadata Repository (CMR) hosts metadata describing NASA’s Earth Observation data products, which are archived across 12 Distributed Active Archive Centers (DAACs). The Analysis and Review of CMR (ARC) Team, located at Marshall Space Flight Center, conducts metadata quality assessments to ensure that these data products are discoverable, accessible, and usable. To achieve these goals, the ARC team has developed a metadata quality assessment framework to evaluate metadata completeness, correctness, and consistency. ARC uses a combination of manual and automated methods to assess these three components and identify areas of improvement; the team then collaborates with the DAACs to resolve any findings. To streamline this process, ARC is currently developing a host of scripts, known as pyQuARC, to automate metadata quality assessments as much as possible. pyQuARC is an open source library for Earth Observation Metadata Quality Assessment, and the tool utilizes ARC’s metadata quality assessment framework to make basic validation checks, pinpoint inconsistencies between dataset-level (i.e. collection) and file-level (i.e. granule) metadata, and identify opportunities for more descriptive and robust information. Since pyQuARC is also customizable, other users can make modifications as needed, and future metadata standards can also be implemented. Once pyQuARC is fully developed, it will support multiple schema types to serve the broader EOSDIS metadata community. This presentation will provide an overview of pyQuARC and its process of development while showcasing the tool’s valuable features and uses.

Jenny Wood↗

NASA NTRS2014

Developing GIOVANNI-based Online Prototypes to Intercompare TRMM-Related Global Gridded-Precipitation Products

New online prototypes have been developed to extend and enhance the previous effort by facilitating investigation of product characteristics and intercomparison of precipitation products in different algorithms as well as in different versions at different spatial scales ranging from local to global without downloading data and software. Several popular Tropical Rainfall Measuring Mission (TRMM) products and the TRMM Composite Climatology are included. In addition, users can download customized data in several popular formats for further analysis. Examples show product quality problems and differences in several monthly precipitation products. It is seen that differences in daily and monthly precipitation products are distributed unevenly in space and it is necessary to have tools such as those presented here for customized and detailed investigations. A simple time series and two area maps allow the discovery of abnormal values of 3A25 in one of the months. An example shows a V-shaped valley issue in the Version 6 3B43 time series and another example shows a sudden drop in 3A25 monthly rain rate, all of which provide important information when the products are used for long-term trend studies. Future plans include adding more products and statistical functionality in the prototypes.

data analysis↗

DOE OSTI2025

STZ: A High Quality and High Speed Streaming Lossy Compression Framework for Scientific Data

Error-bounded lossy compression is one of the most efficient solutions to reduce the volume of scientific data. For lossy compression, progressive decompression and random-access decompression are critical features that enable on-demand data access and flexible analysis workflows. However, these features can severely degrade compression quality and speed. To address these limitations, we propose a novel streaming compression framework that supports both progressive decompression and random-access decompression while maintaining high compression quality and speed. Our contributions are three-fold: (1) we design the first compression framework that simultaneously enables both progressive decompression and random-access decompression; (2) we introduce a hierarchical partitioning strategy to enable both streaming features, along with a hierarchical prediction mechanism that mitigates the impact of partitioning and achieves high compression quality—even comparable to state-of-the-art (SOTA) non-streaming compressor SZ3; and (3) our framework delivers high compression and decompression speed, up to 6.7 × faster than SZ3.

Wang, Daoce [University of Nebraska, Omaha]↗

NASA NTRS2007

Potential of VIIRS Time Series Data for Aiding the USDA Forest Service Early Warning System for Forest Health Threats: A Gypsy Moth Defoliation Case Study

This report details one of three experiments performed during FY 2007 for the NASA RPC (Rapid Prototyping Capability) at Stennis Space Center. This RPC experiment assesses the potential of VIIRS (Visible/Infrared Imager/Radiometer Suite) and MODIS (Moderate Resolution Imaging Spectroradiometer) data for detecting and monitoring forest defoliation from the non-native Eurasian gypsy moth (Lymantria dispar). The intent of the RPC experiment was to assess the degree to which VIIRS data can provide forest disturbance monitoring information as an input to a forest threat EWS (Early Warning System) as compared to the level of information that can be obtained from MODIS data. The USDA Forest Service (USFS) plans to use MODIS products for generating broad-scaled, regional monitoring products as input to an EWS for forest health threat assessment. NASA SSC is helping the USFS to evaluate and integrate currently available satellite remote sensing technologies and data products for the EWS, including the use of MODIS products for regional monitoring of forest disturbance. Gypsy moth defoliation of the mid-Appalachian highland region was selected as a case study. Gypsy moth is one of eight major forest insect threats listed in the Healthy Forest Restoration Act (HFRA) of 2003; the gypsy moth threatens eastern U.S. hardwood forests, which are also a concern highlighted in the HFRA of 2003. This region was selected for the project because extensive gypsy moth defoliation occurred there over multiple years during the MODIS operational period. This RPC experiment is relevant to several nationally important mapping applications, including agricultural efficiency, coastal management, ecological forecasting, disaster management, and carbon management. In this experiment, MODIS data and VIIRS data simulated from MODIS were assessed for their ability to contribute broad, regional geospatial information on gypsy moth defoliation. Landsat and ASTER (Advanced Spaceborne Thermal Emission and Reflection Radiometer) data were used to assess the quality of gypsy moth defoliation mapping products derived from MODIS data and from simulated VIIRS data. The project focused on use of data from MODIS Terra as opposed to MODIS Aqua mainly because only MODIS Terra data was collected during 2000 and 2001-years with comparatively high amounts of gypsy moth defoliation within the study area. The project assessed the quality of VIIRS data simulation products. Hyperion data was employed to assess the quality of MODIS-based VIIRS simulation datasets using image correlation analysis techniques. The ART (Application Research Toolbox) software was used for data simulation. Correlation analysis between MODIS-simulated VIIRS data and Hyperion-simulated VIIRS data for red, NIR (near-infrared), and NDVI (Normalized Difference Vegetation Index) image data products collectively indicate that useful, effective VIIRS simulations can be produced using Hyperion and MODIS data sources. The r(exp 2) for red, NIR, and NDVI products were 0.56, 0.63, and 0.62, respectively, indicating a moderately high correlation between the 2 data sources. Temporal decorrelation from different data acquisition times and image misregistration may have lowered correlation results. The RPC experiment also generated MODIS-based time series data products using the TSPT (Time Series Product Tool) software. Time series of simulated VIIRS NDVI products were produced at approximately 400-meter resolution GSD (Ground Sampling Distance) at nadir for comparison to MODIS NDVI products at either 250- or 500-meter GSD. The project also computed MODIS (MOD02) NDMI (Normalized Difference Moisture Index) products at 500-meter GSD for comparison to NDVI-based products. For each year during 2000-2006, MODIS and VIIRS (simulated from MOD02) time series were computed during the peak gypsy moth defoliation time frame in the study area (approximately June 10 through July 27). Gypsy moth defoliation mapping products from simated VIIRS and MOD02 time series were produced using multiple methods, including image classification and change detection via image differencing. The latter enabled an automated defoliation detection product computed using percent change in maximum NDVI for a peak defoliation period during 2001 compared to maximum NDVI across the entire 2000-2006 time frame. Final gypsy moth defoliation mapping products were assessed for accuracy using randomly sampled locations found on available geospatial reference data (Landsat and ASTER data in conjunction with defoliation map data from the USFS). Extensive gypsy moth defoliation patches were evident on screen displays of multitemporal color composites derived from MODIS data and from simulated VIIRS vegetation index data. Such defoliation was particularly evident for 2001, although widespread denuded forests were also seen for 2000 and 2003. These visualizations were validated using aforementioned reference data. Defoliation patches were visible on displays of MODIS-based NDVI and NDMI data. The viewing of apparent defoliation patches on all of these products necessitated adoption of a specialized temporal data processing method (e.g., maximum NDVI during the peak defoliation time frame). The frequency of cloud cover necessitated this approach. Multitemporal simulated VIIRS and MODIS Terra data both produced effective general classifications of defoliated forest versus other land cover. For 2001, the MOD02-simulated VIIRS 400-meter NDVI classification produced a similar yet slightly lower overall accuracy (87.28 percent with 0.72 Kappa) than the MOD02 250-meter NDVI classification (88.44 percent with 0.75 Kappa). The MOD13 250-meter NDVI classification had a lower overall accuracy (79.13 percent) and a much lower Kappa (0.46). The report discusses accuracy assessment results in much more detail, comparing overall classification and individual class accuracy statistics for simulated VIIRS 400-meter NDVI, MOD02 250-meter NDVI, MOD02-500 meter NDVI, MOD13 250-meter NDVI, and MOD02 500-meter NDMI classifications. Automated defoliation detection products from simulated VIIRS and MOD02 data for 2001 also yielded similar, relatively high overall classification accuracy (85.55 percent for the VIIRS 400-meter NDVI versus 87.28 percent for the MOD02 250-meter NDVI). In contrast, the USFS aerial sketch map of gypsy moth defoliation showed a lower overall classification accuracy at 73.64 percent. The overall classification Kappa values were also similar for the VIIRS (approximately 0.67 Kappa) versus the MOD02 (approximately 0.72 Kappa) automated defoliation detection product, which were much higher than the values exhibited by the USFS sketch map product (overall Kappa of approximately 0.47). The report provides additional details on the accuracy of automated gypsy moth defoliation detection products compared with USFS sketch maps. The results suggest that VIIRS data can be effectively simulated from MODIS data and that VIIRS data will produce gypsy moth defoliation mapping products that are similar to MODIS-based products. The results of the RPC experiment indicate that VIIRS and MODIS data products have good potential for integration into the forest threat EWS. The accuracy assessment was performed only for 2001 because of time constraints and a relative scarcity of cloud-free Landsat and ASTER data for the peak defoliation period of the other years in the 2000-2006 time series. Additional work should be performed to assess the accuracy of gypsy moth defoliation detection products for additional years.The study area (mid-Appalachian highlands) and application (gypsy moth forest defoliation) are not necessarily representative of all forested regions and of all forest threat disturbance agents. Additional work should be performed on other inland and coastal regions as well as for other major forest threats.

Spruce, Joseph P.↗

DOE OSTI2026

Comparability of Liquid Chromatography Tandem Mass Spectrometry Analysis of Dissolved Organic Matter across Laboratories

Non-targeted liquid chromatography tandem highresolution mass spectrometry (LC−MS/MS) is increasingly applied for the structure-resolved chemical analysis of dissolved organic matter (DOM). With new developments in MS instrumentation and analysis software, the approach has gained substantial momentum over the past decade. However, achieving high-quality analytical data that is reproducible and comparable across laboratories can be a bottleneck in non-targeted metabolomics and organic matter chemical analysis, especially for data reuse in repository-scale analyses. Understanding the capabilities as well as challenges of comparing LC−MS/MS data from different laboratories is necessary for inferring global trends from public data sets. To illuminate instrumentation factors that drive differences and variability, we used a standardized data analysis pipeline, including classical (CMN) and featurebased molecular networking (FBMN), to analyze data from a ring trial by 24 laboratories on identical sample sets of algal and DOM extracts that were mixed in predefined concentrations and spiked with standards. Our results showed that data sets from similar mass spectrometer types with unified instrument parameters were qualitatively comparable, resolving the same general trends and shared mass spectral features. Interlaboratory comparability was best for high-intensity features, while low-intensity features showed greater detection variability. Our analysis also highlights challenges when comparing data from instruments with different acquisition rates or operating with less standardized methods. Lastly, we provide recommendations for data integration, public data sharing, standardization, and best practices for standardized LC−MS/MS data acquisition, which will be critical for long-term time series and intercomparability of DOM chemical analyses.

DOM↗

NASA NTRS2008

The NPOESS Preparatory Project (NPP) Science Data Segment (SDS) Data Depository and Distribution Element (SD3E) System Architecture

The National Polar-orbiting Operational Environmental Satellite System (NPOESS), the U.S. Government's future low-Earth orbiting satellite system, will monitor global weather and environmental conditions. Serving as a risk reduction for NPOESS, the NPOESS Preparatory Project (NPP) will provide remotely sensed atmospheric, land, ocean, ozone, and sounder data that will serve the meteorological and global climate change scientific communities. The National Aeronautics and Space Administration (NASA) NPP Science Data Segment's (SDS) primary role is to independently assess the quality of the NPP science and environmental data records for their ability to support climate research. The SDS is composed of nine elements; an input element that receives data from the operational agencies and acts as a buffer, a calibration analysis element, five elements devoted to measurement based quality assessment, an element used to test algorithmic improvements, and an element that provides overall science direction. Each element requires a set of sensor specific science data products for their evaluation. There are four NPP sensors that will be flown on the NPP observatory. They are the Visible Infrared Imagining Radiometer Suite (VIIRS), the Advanced Technology Microwave Sounder (ATMS), the Cross-Track Infrared Sounder (CrIS), and the Ozone Mapper/Profiler Suite (OMPS). It is estimated that these four sensors combined will make daily data requests for approximately six terabytes of NPP science products from the operational data providers. As a result, issues associated with duplicate data requests, data transfers of large volumes of diverse products, and data transfer failures raised concerns with respect to the network traffic and bandwidth consumption. Therefore, a central data broker system for receiving and buffering data requests and data products for the SDS was developed. The data element for this system is called the SDS Data Depository and Distribution Element (SD3E). It supports science mission data assessment by assuring the timely and validated acquisition and subsequent transfer of the NPP Science Mission data to the SDS Elements and NPP Science Team. The six science elements that interface with the SD3E span across the NASA Goddard Space Flight Center (GSFC), the NASA Jet Propulsion Laboratory (JPL), and the University of Wisconsin. As the primary communication vehicle for the science elements and science team, the SD3E has an interface to the operational data providers: National Environment Satellite, Data, and Information Service (NESDIS) Interface Data Processing System (IDPS) and the National Oceanic Atmospheric Administration's (NOAA) Comprehensive Large Array-data Stewardship system (CLASS) Archive Data System (ADS), that are responsible for product generation and archive and distribution respectively. The SD3E is designed to be a semi-customizable and semi-automated system. This system is designed to provide flexibility and ease of use for the science users in accessing the latest data products by creating a rolling data cache that temporarily stores the products locally before transferring the data to the SDS Measurement based elements for the land, ocean, atmosphere, sounder, and ozone. This paper describes the design and architecture of one of the nine SDS elements, the SD3E, and how this system has provided a mechanism for efficient data exchange, how it has helped in alleviating some of the network traffic and usage, and how it has contributed to reducing operational costs.

Ho, Evelyn L.↗

NASA NTRS1975

Computer-aided analysis of Skylab multispectral scanner data in mountainous terrain for land use, forestry, water resource, and geologic applications

The author has identified the following significant results. One of the most significant results of this Skylab research involved the geometric correction and overlay of the Skylab multispectral scanner data with the LANDSAT multispectral scanner data, and also with a set of topographic data, including elevation, slope, and aspect. The Skylab S192 multispectral scanner data had distinct differences in noise level of the data in the various wavelength bands. Results of the temporal evaluation of the SL-2 and SL-3 photography were found to be particularly important for proper interpretation of the computer-aided analysis of the SL-2 and SL-3 multispectral scanner data. There was a quality problem involving the ringing effect introduced by digital filtering. The modified clustering technique was found valuable when working with multispectral scanner data involving many wavelength bands and covering large geographic areas. Analysis of the SL-2 scanner data involved classification of major cover types and also forest cover types. Comparison of the results obtained wth Skylab MSS data and LANDSAT MSS data indicated that the improved spectral resolution of the Skylab scanner system enabled a higher classification accuracy to be obtained for forest cover types, although the classification performance for major cover types was not significantly different.

Hoffer, R. M.↗

DOE OSTI2023

Accurate Prediction of Algal Biomass Lipid, Protein, and Carbohydrate Composition with Machine Learning Regression Modelling of Near-IR Spectra

During large scale algal biomass cultivation, it is difficult to reliably control relative composition to target levels. Rapid determination of chemical composition is feasible by using near infrared (NIR) spectral data. We sought to build and improve on reliable high-throughput screening prediction method based on partial least squares regression (PLSR) by the application of artificial neural networks (ANN) and associated optimization strategies. The algal biomass sample set was designed and created in an iterative process of culturing in physiologically diverse conditions at the GAI field site, followed by compositional analyses at NREL. The workflow allowed us to identify gaps in compositional space for informing the subsequent cultivation and sampling efforts and generated a high quality set of 210 unique samples with chemical analysis results, spectral scanning data, and cultivation metadata. We observed a significant improvement in the performance of carbohydrate content predictions using an optimized ANN model compared to PLSR, with > 16% reduction in mean absolute percent error (MAPE) when tested on the same set of reserved data. The optimized ANN models for FAME and protein prediction performed exceptionally well with 5.99% and 5.09% MAPE, respectively. Application of these methods to detection and quantification of minor biomass constituents that are relevant to certain product streams has shown positive preliminary results, opening the possibility for extensions to the outputs of this powerful data type. All models are accompanied by prediction uncertainties and unsupervised spectral outlier detection to alert an operator to unreliable spectral data. These tools can be deployed for rapid determination of algal culture status, and cultivation and biomass quality improvement.

algal biofuels↗

DOE OSTI2023

Efforts to enhance reproducibility in a human performance research project

Background: Ensuring the validity of results from funded programs is a critical concern for agencies that sponsor biological research. In recent years, the open science movement has sought to promote reproducibility by encouraging sharing not only of finished manuscripts but also of data and code supporting their findings. While these innovations have lent support to third-party efforts to replicate calculations underlying key results in the scientific literature, fields of inquiry where privacy considerations or other sensitivities preclude the broad distribution of raw data or analysis may require a more targeted approach to promote the quality of research output. Methods: We describe efforts oriented toward this goal that were implemented in one human performance research program, Measuring Biological Aptitude, organized by the Defense Advanced Research Project Agency's Biological Technologies Office. Our team implemented a four-pronged independent verification and validation (IV&V) strategy including 1) a centralized data storage and exchange platform, 2) quality assurance and quality control (QA/QC) of data collection, 3) test and evaluation of performer models, and 4) an archival software and data repository. Results: Our IV&V plan was carried out with assistance from both the funding agency and participating teams of researchers. QA/QC of data acquisition aided in process improvement and the flagging of experimental errors. Holdout validation set tests provided an independent gauge of model performance. Conclusions: In circumstances that do not support a fully open approach to scientific criticism, standing up independent teams to cross-check and validate the results generated by primary investigators can be an important tool to promote reproducibility of results.

59 BASIC BIOLOGICAL SCIENCES↗