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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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NASA NTRS2005

PlanWorks: A Debugging Environment for Constraint Based Planning Systems

Numerous planning and scheduling systems employ underlying constraint reasoning systems. Debugging such systems involves the search for errors in model rules, constraint reasoning algorithms, search heuristics, and the problem instance (initial state and goals). In order to effectively find such problems, users must see why each state or action is in a plan by tracking causal chains back to part of the initial problem instance. They must be able to visualize complex relationships among many different entities and distinguish between those entities easily. For example, a variable can be in the scope of several constraints, as well as part of a state or activity in a plan; the activity can arise as a consequence of another activity and a model rule. Finally, they must be able to track each logical inference made during planning. We have developed PlanWorks, a comprehensive system for debugging constraint-based planning and scheduling systems. PlanWorks assumes a strong transaction model of the entire planning process, including adding and removing parts of the constraint network, variable assignment, and constraint propagation. A planner logs all transactions to a relational database that is tailored to support queries for of specialized views to display different forms of data (e.g. constraints, activities, resources, and causal links). PlanWorks was specifically developed for the Extensible Universal Remote Operations Planning Architecture (EUROPA(sub 2)) developed at NASA, but the underlying principles behind PlanWorks make it useful for many constraint-based planning systems. The paper is organized as follows. We first describe some fundamentals of EUROPA(sub 2). We then describe PlanWorks' principal components. We then discuss each component in detail, and then describe inter-component navigation features. We close with a discussion of how PlanWorks is used to find model flaws.

Daley, Patrick↗
NASA NTRS1997

CINTEX: International Interoperability Extensions to EOSDIS

A large part of the research under this cooperative agreement involved working with representatives of the DLR, NASDA, EDC, and NOAA-SAA data centers to propose a set of enhancements and additions to the EOSDIS Version 0 Information Management System (V0 IMS) Client/Server Message Protocol. Helen Conover of ITSL led this effort to provide for an additional geographic search specification (WRS Path/Row), data set- and data center-specific search criteria, search by granule ID, specification of data granule subsetting requests, data set-based ordering, and the addition of URLs to result messages. The V0 IMS Server Cookbook is an evolving document, providing resources and information to data centers setting up a VO IMS Server. Under this Cooperative Agreement, Helen Conover revised, reorganized, and expanded this document, and converted it to HTML. Ms. Conover has also worked extensively with the IRE RAS data center, CPSSI, in Russia. She served as the primary IMS contact for IRE-CPSSI and as IRE-CPSSI's liaison to other members of IMS and Web Gateway (WG) development teams. Her documentation of IMS problems in the IRE environment (Sun servers and low network bandwidth) led to a general restructuring of the V0 IMS Client message polling system. to the benefit of all IMS participants. In addition to the IMS server software and documentation. which are generally available to CINTEX sites, Ms. Conover also provided database design documentation and consulting, order tracking software, and hands-on testing and debug assistance to IRE. In the final pre-operational phase of IRE-CPSSI development, she also supplied information on configuration management, including ideas and processes in place at the Global Hydrology Resource Center (GHRC), an EOSDIS data center operated by ITSL.

Graves, Sara J.↗
NASA NTRS2003

Development and Operations of the Astrophysics Data System

The ADS was represented at the AAS meeting with 3 poster papers and a demonstration booth. We have setup a mirror site of the Vizier data base system at the CDS. functionality of the ADC at Goddard. This will replace the Preparations for the APS and LPSC meetings in March started. We will have demonstrations at both meetings. Preparations for the APS and LPSC meetings in March continued. We will have demonstrations at both meetings. The ADS was represented with a poster at the joint AGUEGU meeting in Nice, France. Discussions about the on-going collaboration between the ADS and the CDS in Strasbourg, France were held in Strasbourg. The ADS was invited to organize a session about the ADS and its mirror sites at the next United Nations Workshop on Basic Space Sciences in the Developing World. Efforts are under way to enter the tables of contents of all conference proceedings in the SA0 library into the ADS. This requires copying the tables of contents from all volumes in the library and have them typed in. This will greatly enhance the coverage of the literature in the ADS. We started the development of a search system for the full text of all scanned material in the ADS. This will eventually allow our users search capabilities that so far do not exist in any form. I order to enable the full text searching, we have purchased OCR software and are in the process of OCRing the scanned pages in the ADS. Efforts are in progress to handle the inclusion of data set identifiers in article manuscripts. The ADS will be the central system that will allow the journals to verify data set identifiers. The "master verifier" has been implemented in prototype form at the ADS. We started to include more journals in Geosciences/Geophysics in the ADS. The Royal astronomical Society has decided to archive their on-line journals in the ADS three years after publication. We have started to process these older on-line articles in order to archive them in the ADS. Our mirror site in Korea now has a full article mirror. We developed XML output capability in the ADS. This will make it easier to exchange data with other data systems. We started the development of new indexing software that will eventually reduce the indexing time for a database from days to hours or less. The ADS was represented at the IAU General Assembly with a poster. Discussions with the IAU management were held about extending the ADS IAU collaborations.

Murray, Stephen S.↗
NASA NTRS2000

The Ceres S'COOL Project: Two Years After First Launch

The idea for the Students' Cloud Observations OnLine (S'COOL) project as an outreach and education element of NASA's Clouds and the Earth's Radiant Energy System (CERES) research program was conceived in late 1996 during a conversation with a middle school science teacher. S'COOL was implemented in a series of increasingly developed test phases during 1997, as the launch of the first CERES instrument approached. Even before launch, the reception of the project in schools far exceeded expectations. After several delays the first instrument, on the Tropical Rainfall Measuring Mission (TRMM) spacecraft, was launched on Thanksgiving Day, 1997. Since the first launch, development and expansion of the project has continued with expectations for launch of Terra carrying two CERES instruments into a polar orbit in mid-1998. That launch is now expected in fall 1999, and will finally provide overflight of all participating schools. In two years, the project has grown from three initial test participants to over 300 schools now participating in 23 countries on five continents. Students from first grade through university level are involved (most participants are ages 10-15). S'COOL is also being used by a few education professors to teach about Internet use in the classroom. The project continues to grow through word of mouth, presentations at teacher workshops, and now increasingly through teachers who find it during web searches. Participants in the S'COOL project are part of the CERES validation team. They provide ground truth measurements at the time the CERES instrument flies over their location, to be compared with the retrieval of cloud properties by remote sensing from CERES. Quantities reported include cloud type, height, fraction and opacity; information on contrails; surface temperature, pressure and relative humidity; and ground cover (snow/ice, wet, dry; leaves on trees or not). in addition, a comment field on the report form serves as a catch-all for all kinds of interesting observations, including similes written by some classes to describe more exactly the clouds they see. Several not totally unexpected complications with the CERES instrument and processing software mean that the CERES team has not yet reached the point of computing the cloud properties, a high level product at the end of the processing stream. However, progress is being made and we anticipate that we will soon be populating the S'COOL database with a large number of satellite retrievals for comparison with the students' observations. Some satellite retrievals from the initial test phases are already available in the database, The CERES instruments are planned to operate at least through 2006, and the S'COOL Project is planned to continue at least that long, providing motivational learning to as many students as possible. This paper reports on the first several years of the S'CCOL project. It further reports on some of the noteworthy observations and comparisons made possible by this project. Schools are often located in interesting places, in terms of the clouds found there and the satellite's ability to observe these clouds. The paper also reports on the learning opportunities delivered by this project, and on new questions about the planet and its climate which arise in the students' minds as a result of their active participation.

Chambers, Lin H.↗
NASA NTRS2011

Improve Data Mining and Knowledge Discovery Through the Use of MatLab

Data mining is widely used to mine business, engineering, and scientific data. Data mining uses pattern based queries, searches, or other analyses of one or more electronic databases/datasets in order to discover or locate a predictive pattern or anomaly indicative of system failure, criminal or terrorist activity, etc. There are various algorithms, techniques and methods used to mine data; including neural networks, genetic algorithms, decision trees, nearest neighbor method, rule induction association analysis, slice and dice, segmentation, and clustering. These algorithms, techniques and methods used to detect patterns in a dataset, have been used in the development of numerous open source and commercially available products and technology for data mining. Data mining is best realized when latent information in a large quantity of data stored is discovered. No one technique solves all data mining problems; challenges are to select algorithms or methods appropriate to strengthen data/text mining and trending within given datasets. In recent years, throughout industry, academia and government agencies, thousands of data systems have been designed and tailored to serve specific engineering and business needs. Many of these systems use databases with relational algebra and structured query language to categorize and retrieve data. In these systems, data analyses are limited and require prior explicit knowledge of metadata and database relations; lacking exploratory data mining and discoveries of latent information. This presentation introduces MatLab(R) (MATrix LABoratory), an engineering and scientific data analyses tool to perform data mining. MatLab was originally intended to perform purely numerical calculations (a glorified calculator). Now, in addition to having hundreds of mathematical functions, it is a programming language with hundreds built in standard functions and numerous available toolboxes. MatLab's ease of data processing, visualization and its enormous availability of built in functionalities and toolboxes make it suitable to perform numerical computations and simulations as well as a data mining tool. Engineers and scientists can take advantage of the readily available functions/toolboxes to gain wider insight in their perspective data mining experiments.

Shaykhian, Gholam Ali↗
NASA NTRS2011

Improve Data Mining and Knowledge Discovery through the use of MatLab

Data mining is widely used to mine business, engineering, and scientific data. Data mining uses pattern based queries, searches, or other analyses of one or more electronic databases/datasets in order to discover or locate a predictive pattern or anomaly indicative of system failure, criminal or terrorist activity, etc. There are various algorithms, techniques and methods used to mine data; including neural networks, genetic algorithms, decision trees, nearest neighbor method, rule induction association analysis, slice and dice, segmentation, and clustering. These algorithms, techniques and methods used to detect patterns in a dataset, have been used in the development of numerous open source and commercially available products and technology for data mining. Data mining is best realized when latent information in a large quantity of data stored is discovered. No one technique solves all data mining problems; challenges are to select algorithms or methods appropriate to strengthen data/text mining and trending within given datasets. In recent years, throughout industry, academia and government agencies, thousands of data systems have been designed and tailored to serve specific engineering and business needs. Many of these systems use databases with relational algebra and structured query language to categorize and retrieve data. In these systems, data analyses are limited and require prior explicit knowledge of metadata and database relations; lacking exploratory data mining and discoveries of latent information. This presentation introduces MatLab(TradeMark)(MATrix LABoratory), an engineering and scientific data analyses tool to perform data mining. MatLab was originally intended to perform purely numerical calculations (a glorified calculator). Now, in addition to having hundreds of mathematical functions, it is a programming language with hundreds built in standard functions and numerous available toolboxes. MatLab's ease of data processing, visualization and its enormous availability of built in functionalities and toolboxes make it suitable to perform numerical computations and simulations as well as a data mining tool. Engineers and scientists can take advantage of the readily available functions/toolboxes to gain wider insight in their perspective data mining experiments.

Shaykahian, Gholan Ali↗
NASA NTRS2013

Education Office Application Design and Development

The content of this project focuses on designing and implementing a new prototype website for the Kennedy Intern Tracking System (KITS). The goal of the new website is to allow the user to search for interns based on several different categories and fields. In hence, making it easier to find a count of interns matching a set of criteria. The KSC office of education is the primary users of KITS, their job is to recruit interns year-round. As a secondary goal, each user will be able to generate a report of their searches onto a portable document format (PDF) me. The results of each search will be set to a limited amount per page. This site will be used for Kennedy Space Center internal purposes only. After the implementations are done, a visual walk through using screen shots will be used to guide the users through all of the different scenarios that are likely to occur when the users are navigating through the site. In addition, a demo of the site will be presented to the KSC Office of Education. JavaScript and JQuery are the languages that will focus on the functionality of the implementation. Hyper Text Markup Language will be used to form the foundation for the body structure of the website. Ruby will be the programming language used to elevate the prototype to a dynamic website and enable the programmer to finish with in an efficient time frame. Cascading Style Sheet will be the language used for the design and styling purposes. Rails is the framework that the new website will be built upon. By default, the database will be managed by Sequel Lite (SQLite). All users will need to be granted special privileges in order to use the site.

Johnson, Jamie E.↗
NASA NTRS2016

EVA Wiki - Transforming Knowledge Management for EVA Flight Controllers and Instructors

The EVA (Extravehicular Activity) Wiki was recently implemented as the primary knowledge database to retain critical knowledge and skills in the EVA Operations group at NASA's Johnson Space Center by ensuring that information is recorded in a common, searchable repository. Prior to the EVA Wiki, information required for EVA flight controllers and instructors was scattered across different sources, including multiple file share directories, SharePoint, individual computers, and paper archives. Many documents were outdated, and data was often difficult to find and distribute. In 2011, a team recognized that these knowledge management problems could be solved by creating an EVA Wiki using MediaWiki, a free and open-source software developed by the Wikimedia Foundation. The EVA Wiki developed into an EVA-specific Wikipedia on an internal NASA server. While the technical implementation of the wiki had many challenges, the one of the biggest hurdles came from a cultural shift. Like many enterprise organizations, the EVA Operations group was accustomed to hierarchical data structures and individually-owned documents. Instead of sorting files into various folders, the wiki searches content. Rather than having a single document owner, the wiki harmonized the efforts of many contributors and established an automated revision control system. As the group adapted to the wiki, the usefulness of this single portal for information became apparent. It transformed into a useful data mining tool for EVA flight controllers and instructors, and also for hundreds of other NASA and contract employees. Program managers, engineers, astronauts, flight directors, and flight controllers in differing disciplines now have an easier-to-use, searchable system to find EVA data. This paper presents the benefits the EVA Wiki has brought to NASA's EVA community, as well as the cultural challenges it had to overcome.

Johnston, Stephanie↗
NASA NTRS1994

IRAS images of nearby dark clouds

We have investigated approximately 100 nearby molecular clouds using the extensive, all-sky database of IRAS. The clouds in this study cover a wide range of physical properties including visual extinction, size, mass, degree of isolation, homogeneity and morphology. IRAS 100 and 60 micron co-added images were used to calculate the 100 micron optical depth of dust in the clouds. These images of dust optical depth compare very well with (12)CO and (13)CO observations, and can be related to H2 column density. From the optical depth images we locate the edges of dark clouds and the dense cores inside them. We have identified a total of 43 `IRAS clouds' (regions with A(sub v) greater than 2) which contain a total of 255 `IRAS cores' (regions with A(sub v) greater than 4) and we catalog their physical properties. We find that the clouds are remarkably filamentary, and that the cores within the clouds are often distributed along the filaments. The largest cores are usually connected to other large cores by filaments. We have developed selection criteria to search the IRAS Point Source Catalog for stars that are likely to be associated with the clouds and we catalog the IRAS sources in each cloud or core. Optically visible stars associated with the clouds have been identified from the Herbig and Bell catalog. From these data we characterize the physical properties of the clouds including their star-formation efficiency.

Wood, Douglas O. S.↗
NASA NTRS2004

Systems Engineering Techniques for ALS Decision Making

The Advanced Life Support (ALS) Metric is the predominant tool for predicting the cost of ALS systems. Metric goals for the ALS Program are daunting, requiring a threefold increase in the ALS Metric by 2010. Confounding the problem, the rate new ALS technologies reach the maturity required for consideration in the ALS Metric and the rate at which new configurations are developed is slow, limiting the search space and potentially giving the perspective of a ALS technology, the ALS Metric may remain elusive. This paper is a sequel to a paper published in the proceedings of the 2003 ICES conference entitled, "Managing to the metric: an approach to optimizing life support costs." The conclusions of that paper state that the largest contributors to the ALS Metric should be targeted by ALS researchers and management for maximum metric reductions. Certainly, these areas potentially offer large potential benefits to future ALS missions; however, the ALS Metric is not the only decision-making tool available to the community. To facilitate decision-making within the ALS community a combination of metrics should be utilized, such as the Equivalent System Mass (ESM)-based ALS metric, but also those available through techniques such as life cycle costing and faithful consideration of the sensitivity of the assumed models and data. Often a lack of data is cited as the reason why these techniques are not considered for utilization. An existing database development effort within the ALS community, known as OPIS, may provide the opportunity to collect the necessary information to enable the proposed systems analyses. A review of these additional analysis techniques is provided, focusing on the data necessary to enable these. The discussion is concluded by proposing how the data may be utilized by analysts in the future.

Rodriquez, Luis F.↗
NASA NTRS2020

Characterization of International Space Station Crew Members' Workload Contributing to Fatigue, Sleep Disruption and Circadian De-synchronization

The focus of this paper is to characterize how the International Space Station (ISS) crewmembers’ workload may be contributing to sleep loss, circadian misalignment and fatigue. Both sleep quantity and subjective sleep quality are reduced in ISS crewmembers (Barger, Flynn-Evans, Kubey, Walsh, Ronda, Wang, Wright, & Czeisler, 2014). Evidence indicates that the use of hypnotic drugs does not appear to promote extended sleep duration. Because sleep is often driven by psychosocial as well as somatic attributes, traditional therapies may only partially moderate the problem for some individuals. Accordingly, searching for additional abatement tactics is a sensible plan. Scientific studies have shown that sleep can be disrupted from work-related stressors. On the ISS, to optimize their time, the crewmembers follow prescribed, ambitious and rigorous schedules with shared deadlines. Here it will be argued that these human capital leveraging techniques may be undermining the astronaut’s sleep, which could negatively impact performance. Along with half of the Earth-bound working population (Paoli & Merllié, 2001), ISS crewmembers may not be adequately recovering from their workload. This paper begins with a characterization of the working conditions of ISS crewmembers, describes the development of rigorous schedules and portrays a typical workday. Terrestrially-based research is compiled to describe how full and partial sleep deprivation affect physical and cognitive performance and how ISS work characteristics may disrupt sleep and subsequent performance. The literature points toward potential solutions to astronaut fatigue that is related to their workload. Finally, throughout the text, evidence is provided from semi-structured interviews, biographies and textual databases to support the argument that astronaut workload is contributing to their sleep loss and fatigue and that research, development and mitigation strategies should focus on enhancing the restorative process.

fatigue↗
DOE OSTI2025

A framework to evaluate machine learning crystal stability predictions

The rapid adoption of machine learning in various scientific domains calls for the development of best practices and community agreed-upon benchmarking tasks and metrics. We present Matbench Discovery as an example evaluation framework for machine learning energy models, here applied as pre-filters to first-principles computed data in a high-throughput search for stable inorganic crystals. We address the disconnect between (1) thermodynamic stability and formation energy and (2) retrospective and prospective benchmarking for materials discovery. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with adaptive user-defined weighting of various performance metrics allowing researchers to prioritize the metrics they value most. To answer the question of which machine learning methodology performs best at materials discovery, our initial release includes random forests, graph neural networks, one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials. We highlight a misalignment between commonly used regression metrics and more task-relevant classification metrics for materials discovery. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV per atom above the convex hull. The benchmark results demonstrate that universal interatomic potentials have advanced sufficiently to effectively and cheaply pre-screen thermodynamic stable hypothetical materials in future expansions of high-throughput materials databases.

Riebesell, Janosh↗
DOE OSTI2020

Nanomaterial Synthesis Insights from Machine Learning of Scientific Articles by Extracting, Structuring, and Visualizing Knowledge

Nanomaterials of varying compositions and morphologies are of interest for many applications from catalysis to optics, but the synthesis of nanomaterials and their scale-up are most often time-consuming and Edisonian processes. Information gleaned from the scientific literature can help inform and accelerate nanomaterials development, but again, searching the literature and digesting the information are time-consuming manual processes for researchers. To help address these challenges, here we developed scientific article-processing tools that extract and structure information from the text and figures of nanomaterials articles, thereby enabling the creation of a personalized knowledgebase for nanomaterials synthesis that can be mined to help inform further nanomaterials development. Starting with a corpus of ~35k nanomaterials-related articles, we developed models to classify articles according to the nanomaterial composition and morphology, extract synthesis protocols from within the articles’ text, and extract, normalize, and categorize chemical terms within synthesis protocols. We demonstrate the efficiency of the proposed pipeline on an expert-labeled set of nanomaterials synthesis articles, achieving 100% accuracy on composition prediction, 95% accuracy on morphology prediction, 0.99 AUC on protocol identification, and up to a 0.87 F1-score on chemical entity recognition. In addition to processing articles’ text, microscopy images of nanomaterials within the articles are also automatically identified and analyzed to determine the nanomaterials’ morphologies and size distributions. To enable users to easily explore the database, we developed a complementary browser-based visualization tool that provides flexibility in comparing across subsets of articles of interest. We use these tools and information to identify trends in nanomaterials synthesis, such as the correlation of certain reagents with various nanomaterial morphologies, which is useful in guiding hypotheses and reducing the potential parameter space during experimental design.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Big-data Efficient and Automated Science Transfer (BEAST): An Open-Source Software Architecture for Arc Jet Data Management, Modeling, and Automation

Big-data Efficient and Automated Science Transfer (BEAST) is a facility data management application developed for the NASA Ames arc jet facilities. The current decentralized data management practices limit statistical tracking, synchronization between video/time series, search capability, data throughput, and data processing speed/efficiency. Consequently, BEAST was developed to provide a new data infrastructure with streamlined data collection, processing, transfer, and analysis. This new framework also seeks to implement the FAIR principles of data stewardship: Findable, Accessible, Interoperable, and Reusable. The BEAST framework is based on a combination of the Python Django web framework and the Python data stack to provide a monolithic, open-source platform for data management, automation, and machine learning. This architecture was chosen for maintainability and scalability for a small, in-house development team. This paper will describe the application framework, deployment, and discuss the benefits and future plans for the system.

Data management↗
NASA NTRS1994

In search of Nemesis

The parallax of all stars of visual magnitude greater than about 6.5 has already been measured. If Nemesis is a main-sequence star 1 parsec away, this requires Nemesis's mass to be less than about 0.4 solar masses. If it were less than about 0.05 solar masses its gravity would be too weak to trigger a comet storm. If Nemesis is on the main sequence, this mass range requires it to be a red dwarf. A red dwarf companion would probably have been missed by standard astronomical surveys. Nearby stars are usually found because they are bright or have high proper motion. However, Nemesis's proper motion would now be 0.01 arcsec/yr, and if it is a red dwarf its magnitude is about 10 - too dim to attract attention. Unfortunately, standard four-color photometry does not distinguish between red dwarfs and giants. So although surveys such as the Dearborn Red Star Catalog list stars by magnitude and spectral type, they do not identify the dwarfs. Every star of the correct spectral type and magnitude must be scrutinized. Our candidate list is a hybrid; candidate red stars are identified in the astrometrically poor Dearborn Red Star Catalog and their positions are corrected using the Hubble Guide Star Catalog. When errors in the Dearborn catalog make it impossible to identify the corresponding Hubble star, the fields are split so that we have one centering on each possible candidate. We are currently scrutinizing 3098 fields, which we believe contain all possible red dwarf candidates in the northern hemisphere. Since our last report the analysis and database software has been completely rebuilt to take advantage of updated hardware, to make the data more accessible, and to implement improved methods of data analysis. The software is now completed and we are eliminating stars every clear night.

Carlson, S.↗
NASA NTRSDate not supplied

Plant Habitat 04 Citizen Outreach: The Space Chile Grow a Pepper Plant Challenge (2020-2021)

The Space Chile Grow a Pepper Plant Challenge (SCGAPPC) is a citizen outreach activity performed in conjunction with NASA technical demonstration, Plant Habitat (PH)-04 which grew a New Mexico chile pepper as the first fruit in the Advanced Plant Habitat (APH). Growing a related pepper variety from Chimayo, New Mexico, the activity tasked citizen “Space Farmers” to grow a pepper plant indoors, at home, or in controlled environments to document the details of growth, and search for solutions to growing consistently productive and flavorful peppers under these conditions. Launched in February of 2020, a scientist on the PH04 team shared an introduction on social media to provide information about the activity and instructions on how to participate. Each space farmer received an envelopecontaining seeds and a mission sticker. They conducted their own pepper growth trials to record environment and horticultural data and submit one pepper to the University of New Mexico for capsaicin analysis. This activity was available online at the onset of the COVID-19 shutdown. During 2020-2021, over 1,800 envelopes were mailed across the globe, tens of thousands of seed pouches were shared, the SCGAPPC was featured during a virtual Growing Beyond Earth Educator Workshop with the challenge of becoming a critical part of that program when students were working remotely. Citizen space farmers around the world contributed to space biology and crop production research while learning about CE agriculture. Members of the space biology community volunteered participation, skills, and interaction. An online community page provided a format for scientists, and the general publicto interact. A portion of data was documented in an online database. The primary outcome served to inform the publicabout NASA space crop production, while creating a channel to share experiences and compare results from a singlecrop growing under varying controlled environments.

Jacob Torres↗
DOE OSTI2022

GROWdb US River Systems - Samples

GROW Overview We developed the Genome Resolved Open Watersheds database (GROWdb), which aims to increase genomic sampling and understanding of global river microbiomes. An emphasis of GROWdb is to create a publicly available and ever-expanding microbial genome database that is focused on rivers while being interoperable with databases from other ecosystems. GROWdb is based on a network-of-networks approach to move beyond a small collection of well-studied rivers, towards a spatially distributed, global network of systematic observations. GROWdb represents the first microbial, river-focused resource parsed at various scales from genes to MAGs to community level including expression and potential based measurements that will be of interest to microbiologists, ecologists, geochemists, hydrologists, and modelers. Dataset Acknowledgement GROWdb contains data from various research campaigns, please acknowledge the following data generators, as appropriate: WHONDRS derived genomes or samples - include this statement in your acknowledgements: “This study used data from the Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) under the River Corridor Science Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL) that was generated at the U.S. Department of Energy (DOE) Joint Genome Institute User Facility. PNNL is operated by Battelle Memorial Institute for the U.S. DOE under Contract No. DE-AC05-76RL01830. The SFA is supported by the U.S. DOE, Office of Biological and Environmental Research (BER), Environmental System Science (ESS) Program.” Total Samples loaded onto this Narrative: 178 Note: Not all GROW samples may be loaded into KBase Data Availability The data underlying GROWdb are accessible across various platforms to ensure all levels of data structure are widely available. First, all reads and MAGs are publicly hosted on National Center for Biotechnology (NCBI) under Bioproject PRJNA946291. Second, all data related data presented here including MAG annotations, extended data tables, phylogenetic tree files, antibiotic resistance gene database files, and MAG abundance tables are available in Zenodo (link). Beyond the flat database files listed above, our aim for GROWdb was to maximize data use by making the data available in searchable and interactive platforms including the National Microbiome Data Collaborative (NMDC) data portal, the Department of Energy’s Systems Biology Knowledgebase (KBase), and a GROW specific user interface released here, GROWdb Explorer. Each platform provides different ways to interact with GROWdb: NMDC GROWdb formed a pilot project for the NMDC. Specifically, individual GROWdb datasets (metagenomes, metatranscriptomes, etc) are easily accessible and searchable through the NMDC data portal, where they are systematically connected to each other and to a rich suite of sample information and standard analysis results, following Findable, Accessible, Interoperable, and Reusable (FAIR) data practices. KBase GROWdb is publicly available within KBase, including samples (this Narrative), MAGs, and corresponding genome scale metabolic models. Access within KBase allows for immediate access and reuse of data, including comparison to private data using KBase’s 500+ analysis tools. Other linked narratives in KBase: GROW Metagenome Assembled Genomes (MAGs) GROW Metabolic Models GROWdb Explorer GROWdb data is also explorable through a graphical user interface built through the Colorado State University Geospatial Centroid (https://geocentroid.shinyapps.io/GROWdatabase/), allowing users to search and graph microbial and spatial data simultaneously. In summary, this microbial genome resource represents the first publicly available genome collection from rivers and offers data that can be leveraged across microbiome studies. GROWdb is an expanding repository to incorporate and unify global river multi-omic data for the future.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Adaptive Discovery and Mixed-Variable Optimization of Next Generation Synthesizable Microelectronic Materials

Design of new microelectronic materials is characterized by several challenges such as high-dimensionality of the atomic structure-composition variable space, formidable cost of directly using high-fidelity simulations for design optimization, dispersity in literature-reported similar materials and synthesis methods, complex physical mechanisms, and mixed qualitative and quantitative design variables that lead to a disjointed design space. Even though machine learning (ML) techniques have been employed to expedite materials innovation, existing methods treat ML and design optimization as two separate processes, failing to resolve the fundamental challenges associated with high dimensionality and mixed-variable complexity. We have developed a ML enhanced mixed-variable material design optimization framework to efficiently extract useful information from existing data in literature and physics-based simulations to guide the autonomous search for optimal materials. Our proposed framework is composed of four computational modules: (1) a natural language processing (NLP) based virtual screening module, (2) classification based concept exploration module, (3) a density functional theory (DFT)-based high-fidelity evaluation model, and (4) a novel latent-variable Gaussian process (LVGP) ML model for mixed-variable problems with uncertainty quantification, which seamlessly integrates with Bayesian Optimization (BO) and achieves superb efficiency through embedded physics-based dimension reduction. Our approach is demonstrated and validated using the testbed of functional materials exhibiting metal-insulation transitions (MITs), with the targeted reversible resistivity changes (∼10^5) near room temperature. At the end of the 30-month project, we have developed a series of new ML techniques using NLP, conditional variational autoencoders, active learning, latent-variable Gaussian processes, integrated with Bayesian optimization. Our project has resulted in new predicted MITs compounds and improved understanding of MITs microscopic mechanisms, which in turn will revolutionize microelectronics science to provide energy-saving solutions. Our research has improved both creativity and efficiency in transforming rare-event discoveries of new functional materials to persistent innovations. In addition to open-sourcing the online MIT database and the classification model, the LVGP open source code has been downloaded more than 15,000 times within two years. More than 40 MIT compounds have been identified and many have been pursued experimentally via collaborators. The research results are published in close to 20 collaborative papers in high-impact journals, such as Chem. Mater., Appl. Phys. Rev., Sci. Rep., among others of design space.

36 MATERIALS SCIENCE↗