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Using Machine Learning to Classify Earth Science Articles

Developing a machine learning pipeline to automatic the classification of research article topics, where topics are geophysical descriptors. The resulting classified documents will be added to the Usage-Based Discovery graph database, along with corresponding NASA Earth Science datasets, with the intent of linking the NASA data product with uses of it that can be searched by topic. The project will aid in the following goals (1) creating a wider representation of how and how much NASA Earth Science data products are used, (2) identifying when NASA data products have been used even when they are not clearly cited, and (3) providing the UBD search tool end-user with set of recommended datasets based on a given topic query.

Machine Learning↗

NASA NTRS2023

Development of Solar Energetic Particle Prediction Portal (SEP3)

Robust prediction of Solar Energetic Particle (SEP) events is among the key priorities of the space weather community. In the framework of NASA’s Early Stage Innovation Program, we develop the Solar Energetic Particle Prediction Portal (SEP3: https://sun.njit.edu/SEP3), which hosts web applications that allow the users to retrieve the database records. In particular, SEP3 lists the API examples to query each data source potentially important for the SEP prediction. The Portal has a search page for browsing the events from the most widely used catalogs (https://sun.njit.edu/SEP3/search.php) and a dedicated space to share the most recent achievements of the team. In addition, we have added a CDAW SEP catalog and a LASCO/SOHO CME catalog and introduced the possibility of displaying the properties of the connected events (parental solar flares and CMEs for SEPs) on the search page. The interactive widget has the capability to display GOES soft X-ray and proton flux time series from different satellites with the GOES flare records on top of them. The data portal has been used to evaluate the forecasts of the solar proton events based on the statistical properties of the GOES soft X-ray and proton fluxes and investigate machine-learning approaches to the SEP prediction.

SMD↗

NASA NTRS2017

Data Sharing in Astrobiology: The Astrobiology Habitable Environments Database (AHED)

Astrobiology is a multidisciplinary area of scientific research focused on studying the origins of life on Earth and the conditions under which life might have emerged elsewhere in the universe. NASA uses the results of Astrobiology research to help define targets for future missions that are searching for life elsewhere in the universe. The understanding of complex questions in Astrobiology requires integration and analysis of data spanning a range of disciplines including biology, chemistry, geology, astronomy and planetary science. However, the lack of a centralized repository makes it difficult for Astrobiology teams to share data and benefit from resultant synergies. Moreover, in recent years, federal agencies are requiring that results of any federally funded scientific research must be available and useful for the public and the science community. The Astrobiology Habitable Environments Database (AHED), developed with a consolidated group of astrobiologists from different active research teams at NASA Ames Research Center, is designed to help to address these issues. AHED is a central, high-quality, long-term data repository for mineralogical, textural, morphological, inorganic and organic chemical, isotopic and other information pertinent to the advancement of the field of Astrobiology.

Define targets for futire missions↗

NASA NTRS2017

Data Sharing in Astrobiology: the Astrobiology Habitable Environments Database (AHED)

Bristow, Thomas↗

NASA NTRS2017

Data Sharing in Astrobiology: The Astrobiology Habitable Environments Database (AHED)

Origins of life on Earth↗

NASA NTRS1994

TRENDS: A flight test relational database user's guide and reference manual

This report is designed to be a user's guide and reference manual for users intending to access rotocraft test data via TRENDS, the relational database system which was developed as a tool for the aeronautical engineer with no programming background. This report has been written to assist novice and experienced TRENDS users. TRENDS is a complete system for retrieving, searching, and analyzing both numerical and narrative data, and for displaying time history and statistical data in graphical and numerical formats. This manual provides a 'guided tour' and a 'user's guide' for the new and intermediate-skilled users. Examples for the use of each menu item within TRENDS is provided in the Menu Reference section of the manual, including full coverage for TIMEHIST, one of the key tools. This manual is written around the XV-15 Tilt Rotor database, but does include an appendix on the UH-60 Blackhawk database. This user's guide and reference manual establishes a referrable source for the research community and augments NASA TM-101025, TRENDS: The Aeronautical Post-Test, Database Management System, Jan. 1990, written by the same authors.

Bondi, M. J.↗

NASA NTRS1993

Multi Wave Link: An interactive database for co-ordination of multiwavelength programs

Multi Wave Link is an operational database used by the international astronomical community to plan and coordinate multiwavelength observational campaigns on various celestial objects. This facility has been and continues to be an essential tool for the organization of numerous simultaneous ground-based and satellite observations. The Multi Wave Link system has both an interactive component and an electronic mail alert notice component. The interactive portion contains a database of schedules from several of the world's larger observatories and orbiting satellites. Lists of observers, observatories, and their available instrumentation are additionally contained in the system. Another feature added to the software allows the user to search the Royal Greenwich Observatory e-mail listing of international astronomers. This capability is often used by astronomers to find the electronic address of colleagues for improved communication. However, the most productive aspect of the Multi Wave Link system appears to be one of the simplest parts of the system: the electronic mail alert notices for observing campaigns. Information useful in planning the structure of future astronomical databases can be obtained by studying patterns of use of the Multi Wave Link system. This paper analyzes 22 months of Multi Wave Link usage from Sep. 1991 - Jul. 1993.

Cordova, France↗

DOE OSTI2020

Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction

The discovery of high-performing and stable materials for sustainable energy applications is a pressing goal in catalysis and materials science. Understanding the relationship between a material’s structure and functionality is an important step in the process, such that viable polymorphs for a given chemical composition need to be identified. Machine-learning-based surrogate models have the potential to accelerate the search for polymorphs that target specific applications. Herein, we report a readily generalizable active-learning (AL) accelerated algorithm for identification of electrochemically stable iridium oxide polymorphs of IrO 2 and IrO 3 . The search is coupled to a subsequent analysis of the electrochemical stability of the discovered structures for the acidic oxygen evolution reaction (OER). Structural candidates are generated by identifying all 956 structurally unique AB2 and AB3 prototypes in existing materials databases (more than 38000). Next, using an active learning approach, we find 196 IrO 2 polymorphs within the thermodynamic amorphous synthesizability limit and reaffirm the global stability of the rutile structure. We find 75 synthesizable IrO 3 polymorphs and report a previously unknown FeF 3 -type structure as the most stable, termed α-IrO 3 . To test the algorithms performance, we compare to a random search of the candidate space and report at least a 2-fold increase in the rate of discovery. Additionally, the AL approach can acquire the most stable polymorphs of IrO 2 and IrO 3 with fewer than 30 density functional theory optimizations. Analysis of the structural properties of the discovered polymorphs reveals that octahedral local coordination environments are preferred for nearly all low-energy structures. Subsequent Pourbaix Ir–H 2 O analysis shows that α-IrO3 is the globally stable solid phase under acidic OER conditions and supersedes the stability of rutile IrO 2 . Calculation of theoretical OER surface activities reveal ideal weaker binding of the OER intermediates on α-IrO 3 than on any other considered iridium oxide. We emphasize that the proposed AL algorithm can be easily generalized to search for any binary metal oxide structure with a defined stoichiometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Dara: Automated Multiple-Hypothesis Phase Identification and Refinement from Powder X-ray Diffraction

Powder X-ray diffraction (XRD) is a foundational technique for characterizing crystalline materials. However, the reliable interpretation of XRD patterns, particularly in multiphase systems, remains a manual and expertise-demanding task. As a characterization method that only provides structural information, multiple reference phases can often be fit to a single pattern, leading to potential misinterpretation when alternative solutions are overlooked. To ease humans’ efforts and address the challenge, we introduce Dara (data-driven automated Rietveld analysis), a framework designed to automate the robust identification and refinement of multiple phases from powder XRD data. Dara performs an exhaustive tree search over all plausible phase combinations within a given chemical space and validates each hypothesis using the BGMN Rietveld refinement routine. Key features include structural database filtering, automatic clustering of isostructural phases during tree expansion, and peak-matching-based scoring to identify promising phases for refinement. When ambiguity exists, Dara generates multiple hypothesis which can then be decided between by human experts or with further characterization tools. By enhancing the reliability and accuracy of phase identification, Dara enables scalable analysis of realistic complex XRD patterns and provides a foundation for integration into multimodal characterization workflows, moving toward fully self-driving materials discovery.

Biological databases↗

DOE OSTI2022

ClusterCAD 2.0: an updated computational platform for chimeric type I polyketide synthase and nonribosomal peptide synthetase design

Abstract Megasynthase enzymes such as type I modular polyketide synthases (PKSs) and nonribosomal peptide synthetases (NRPSs) play a central role in microbial chemical warfare because they can evolve rapidly by shuffling parts (catalytic domains) to produce novel chemicals. If we can understand the design rules to reshuffle these parts, PKSs and NRPSs will provide a systematic and modular way to synthesize millions of molecules including pharmaceuticals, biomaterials, and biofuels. However, PKS and NRPS engineering remains difficult due to a limited understanding of the determinants of PKS and NRPS fold and function. We developed ClusterCAD to streamline and simplify the process of designing and testing engineered PKS variants. Here, we present the highly improved ClusterCAD 2.0 release, available at https://clustercad.jbei.org. ClusterCAD 2.0 boasts support for PKS-NRPS hybrid and NRPS clusters in addition to PKS clusters; a vastly enlarged database of curated PKS, PKS-NRPS hybrid, and NRPS clusters; a diverse set of chemical ‘starters’ and loading modules; the new Domain Architecture Cluster Search Tool; and an offline Jupyter Notebook workspace, among other improvements. Together these features massively expand the chemical space that can be accessed by enzymes engineered with ClusterCAD.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2013

Trajectory Browser: An Online Tool for Interplanetary Trajectory Analysis and Visualization

The trajectory browser is a web-based tool developed at the NASA Ames Research Center for finding preliminary trajectories to planetary bodies and for providing relevant launch date, time-of-flight and (Delta)V requirements. The site hosts a database of transfer trajectories from Earth to planets and small-bodies for various types of missions such as rendezvous, sample return or flybys. A search engine allows the user to find trajectories meeting desired constraints on the launch window, mission duration and (Delta)V capability, while a trajectory viewer tool allows the visualization of the heliocentric trajectory and the detailed mission itinerary. The anticipated user base of this tool consists primarily of scientists and engineers designing interplanetary missions in the context of pre-phase A studies, particularly for performing accessibility surveys to large populations of small-bodies.

Foster, Cyrus James↗

NASA NTRS2018

GeneLab Analysis Working Group Kick-Off Meeting

Goals to achieve for GeneLab AWG - GL vision - Review of GeneLab AWG charter Timeline and milestones for 2018 Logistics - Monthly Meeting - Workshop - Internship - ASGSR Introduction of team leads and goals of each group Introduction of all members Q/A Three-tier Client Strategy to Democratize Data Physiological changes, pathway enrichment, differential expression, normalization, processing metadata, reproducibility, Data federation/integration with heterogeneous bioinformatics external databases The GLDS currently serves over 100 omics investigations to the biomedical community via open access. In order to expand the scope of metadata record searches via the GLDS, we designed a metadata warehouse that collects and updates metadata records from external systems housing similar data. To demonstrate the capabilities of federated search and retrieval of these data, we imported metadata records from three open-access data systems into the GLDS metadata warehouse: NCBI's Gene Expression Omnibus (GEO), EBI's PRoteomics IDEntifications (PRIDE) repository, and the Metagenomics Analysis server (MG-RAST). Each of these systems defines metadata for omics data sets differently. One solution to bridge such differences is to employ a common object model (COM) to which each systems' representation of metadata can be mapped. Warehoused metadata records are then transformed at ETL to this single, common representation. Queries generated via the GLDS are then executed against the warehouse, and matching records are shown in the COM representation (Fig. 1). While this approach is relatively straightforward to implement, the volume of the data in the omics domain presents challenges in dealing with latency and currency of records. Furthermore, the lack of a coordinated has been federated data search for and retrieval of these kinds of data across other open-access systems, so that users are able to conduct biological meta-investigations using data from a variety of sources. Such meta-investigations are key to corroborating findings from many kinds of assays and translating them into systems biology knowledge and, eventually, therapeutics.

GeneLab↗

DOE OSTI2022

A database of refractive indices and dielectric constants auto-generated using ChemDataExtractor

The ability to auto-generate databases of optical properties holds great potential for advancing optical research, especially with regards to the data-driven discovery of optical materials. An optical property database of refractive indices and dielectric constants is presented, which comprises a total of 49,076 refractive index and 60,804 dielectric constant data records on 11,054 unique chemicals. The database was auto-generated using the state-of-the-art natural language processing software, ChemDataExtractor, using a corpus of 388,461 scientific papers. The data repository offers a representative overview of the information on linear optical properties that resides in scientific papers from the past 30 years. Public availability of these data will enable a quick search for the optical property of certain materials. The large size of this repository will accelerate data-driven research on the design and prediction of optical materials and their properties. To the best of our knowledge, this is the first auto-generated database of optical properties from a large number of scientific papers. We provide a web interface to aid the use of our database.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

SEED: Semantic Energy Exploration and Discovery

The Bioenergy Knowledge Discovery Framework (KDF) hosts a vast repository of specialized data, yet traditional keyword-based search methods often struggle to provide direct answers, requiring significant domain expertise and manual effort to filter through raw documents. To overcome these barriers, this software introduces a semantic search engine that enables both specialists and non-specialists to query the KDF using natural language. By shifting from rigid keyword matching to intent-based retrieval, the tool automatically identifies and ranks the most relevant sources within the database. The system functions by processing natural language queries to extract the most pertinent information, delivering an AI-generated plain-language summary alongside exact supporting quotes from retrieved documents. This integrated approach provides users with immediate, evidence-based answers while eliminating the need for exhaustive manual review. By surfacing direct insights and contextual evidence, the software enhances the usability of existing KDF resources and democratizes access to complex bioenergy data. Ultimately, this semantic search solution accelerates the discovery process and supports faster, more informed decision-making across the bioenergy sector.

Pan, Meiyu (Melrose) [Oak Ridge National Laborator↗

DOE OSTI2022

Screening of bimetallic electrocatalysts for water purification with machine learning

Electrocatalysis provides a potential solution to NO 3 - pollution in wastewater by converting it to innocuous N 2 gas. However, materials with excellent catalytic activity are typically limited to expensive precious metals, hindering their commercial viability. Here, in response to this challenge, we have conducted the most extensive computational search to date for electrocatalysts that can facilitate NO 3 - reduction reaction, starting with 59 390 candidate bimetallic alloys from the Materials Project and Automatic-Flow databases. Using a joint machine learning- and computation-based screening strategy, we evaluated our candidates based on corrosion resistance, catalytic activity, N 2 selectivity, cost, and the ability to synthesize. We found that only 20 materials will satisfy all criteria in our screening strategy, all of which contain varying amounts of Cu. Our proposed list of candidates is consistent with previous materials investigated in the literature, with the exception of Cu–Co and Cu–Ag based compounds that merit further investigation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Research in Neutrinoless Double Beta Decay

The MAJORANA DEMONSTRATOR recently concluded its search for neutrinoless double-beta decay. This technical report covers the contributions of the PI Tedeschi for the data production including the development of a run database and implementation of the file blinding scheme, as well as the analysis of the cosmic ray intensity measured by the detector veto panels.

neutrinoless double beta decay↗

NASA NTRS2017

Understanding the International Space Station Crew Perspective following Long-Duration Missions through Data Analytics & Visualization of Crew Feedback

The International Space Station (ISS) first became a home and research laboratory for NASA and International Partner crewmembers over 16 years ago. Each ISS mission lasts approximately 6 months and consists of three to six crewmembers. After returning to Earth, most crewmembers participate in an extensive series of 30+ debriefs intended to further understand life onboard ISS and allow crews to reflect on their experiences. Examples of debrief data collected include ISS crew feedback about sleep, dining, payload science, scheduling and time planning, health & safety, and maintenance. The Flight Crew Integration (FCI) Operational Habitability (OpsHab) team, based at Johnson Space Center (JSC), is a small group of Human Factors engineers and one stenographer that has worked collaboratively with the NASA Astronaut office and ISS Program to collect, maintain, disseminate and analyze this data. The database provides an exceptional and unique resource for understanding the "crew perspective" on long duration space missions. Data is formatted and categorized to allow for ease of search, reporting, and ultimately trending, in order to understand lessons learned, recurring issues and efficiencies gained over time. Recently, the FCI OpsHab team began collaborating with the NASA JSC Knowledge Management team to provide analytical analysis and visualization of these over 75,000 crew comments in order to better ascertain the crew's perspective on long duration spaceflight and gain insight on changes over time. In this initial phase of study, a text mining framework was used to cluster similar comments and develop measures of similarity useful for identifying relevant topics affecting crew health or performance, locating similar comments when a particular issue or item of operational interest is identified, and providing search capabilities to identify information pertinent to future spaceflight systems and processes for things like procedure development and training. In addition, the comments were scored for sentiment using a polarity scoring algorithm to identify both positive and negative comments for particular groups and clusters, allowing the team to make analytically informed decisions regarding future hardware and operating procedures. The use of polarity scoring with time series analysis was used to provide insight into how crew health and habitability is changing throughout various spaceflight increments or the station lifecycle as a whole. Finally, a visualization framework was developed to address the needs of the end users to search for and analyze comments by user, category or mission. This paper will discuss how the use of an analytical framework in conjunction with the current human interface, improved the understanding of crew perspective and shortened the time for analysis allowing for more informed decisions and rapid development of improvements. These methods are significantly optimizing the way that this valuable data can be assessed and applied to current and future spaceflight design and development. This collaboration allows the FCI OpsHab team to effectively analyze and share data in a more automated and timely fashion. Trends are no longer derived manually and can be illustrated effectively and accurately with these evolving techniques to an ever growing group of human spaceflight end users.

Bryant, Cody↗

DOE OSTI2026

Millimeter-wave Detections of Symbiotic Stars in SPT and ACT Data

We present the results of a joint targeted search of candidate symbiotic stars at millimeter wavelengths using the South Pole Telescope (SPT) and the Atacama Cosmology Telescope (ACT). Candidates are selected from the New Online Database of Symbiotic Variables, restricting to objects that are within either the SPT-3G or ACT~DR6 footprint, covering most of the southern hemisphere and up to a declination of $+20^\circ$. Forced photometry on the 828 candidate symbiotic star locations in SPT and ACT data results in 31 unique objects detected with more than a $3Ï$ significance using two frequency bands: 18 confirmed and 13 suspected symbiotic stars. We provide the SPT and ACT 95/98, 150, and 220~GHz light curves, along with optical and infrared light curves from 2016--2026, as well as spectral energy distributions, physical parameters from the literature, and brief summaries regarding the nature of each individual object. Using Herschel SPIRE data from 2013, we place upper limits on millimeter flux for CN Cha near the beginning of the optical rise in its 2012/2013 nova, which suggests a strong variability and lag at millimeter wavelengths and results in a rare observance of a Galactic millimeter slow transient. In addition, we provide coadded thumbnails and light curves for the remaining 797 candidate symbiotic stars that did not pass our detection thresholds. Millimeter-wave emission from symbiotic stars is primarily a combination of free-free emission of the ionization region and optically thick blackbody emission of the cooler dust components of the system. When combined with contemporaneous multi-wavelength observations, millimeter-wave observations can be used to test binary models of symbiotic stars and provide insight on the geometry and physical properties of these systems.

Tandoi, C. [Illinois U., Urbana, Astron. Dept.] (O↗