Data Management Across DOE Labs: LANL Research Library Overview [Slides]
Abstract not provided.
97 MATHEMATICS AND COMPUTING↗
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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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DeCOIL: Optimization of Degenerate Codon Libraries for Machine Learning-Assisted Protein Engineering
With advances in machine learning (ML)-assisted protein engineering, models based on data, biophysics, and natural evolution are being used to propose informed libraries of protein variants to explore. Synthesizing these libraries for experimental screens is a major bottleneck, as the cost of obtaining large numbers of exact gene sequences is often prohibitive. Degenerate codon (DC) libraries are a cost-effective alternative for generating combinatorial mutagenesis libraries where mutations are targeted to a handful of amino acid sites. However, existing computational methods to optimize DC libraries to include desired protein variants are not well suited to design libraries for ML-assisted protein engineering. To address these drawbacks, we present DEgenerate Codon Optimization for Informed Libraries (DeCOIL), a generalized method which directly optimizes DC libraries to be useful for protein engineering: to sample protein variants that are likely to have both high fitness and high diversity in the sequence search space. Using computational simulations and wet-lab experiments, we demonstrate that DeCOIL is effective across two specific case studies, with potential to be applied to many other use cases. DeCOIL offers several advantages over existing methods, as it is direct, easy-to-use, generalizable, and scalable. With accompanying software, DeCOIL can be readily implemented to generate desired informed libraries.
59 BASIC BIOLOGICAL SCIENCES↗
High rate information systems - Architectural trends in support of the interdisciplinary investigator
Data systems requirements in the Earth Observing System (EOS) Space Station Freedom (SSF) eras indicate increasing data volume, increased discipline interplay, higher complexity and broader data integration and interpretation. A response to the needs of the interdisciplinary investigator is proposed, considering the increasing complexity and rising costs of scientific investigation. The EOS Data Information System, conceived to be a widely distributed system with reliable communication links between central processing and the science user community, is described. Details are provided on information architecture, system models, intelligent data management of large complex databases, and standards for archiving ancillary data, using a research library, a laboratory and collaboration services.
Handley, Thomas H., Jr.↗
JPL Library, Archives, and Records Update
This slide presentation reviews the changes and plans that the JPL Library, Archives and Records Management group have instituted and plan to in 2011.
information science↗
ISAIA: Interoperable Systems for Archival Information Access
The ISAIA project was originally proposed in 1999 as a successor to the informal AstroBrowse project. AstroBrowse, which provided a data location service for astronomical archives and catalogs, was a first step toward data system integration and interoperability. The goals of ISAIA were ambitious: '...To develop an interdisciplinary data location and integration service for space science. Building upon existing data services and communications protocols, this service will allow users to transparently query hundreds or thousands of WWW-based resources (catalogs, data, computational resources, bibliographic references, etc.) from a single interface. The service will collect responses from various resources and integrate them in a seamless fashion for display and manipulation by the user.' Funding was approved only for a one-year pilot study, a decision that in retrospect was wise given the rapid changes in information technology in the past few years and the emergence of the Virtual Observatory initiatives in the US and worldwide. Indeed, the ISAIA pilot study was influential in shaping the science goals, system design, metadata standards, and technology choices for the virtual observatory. The ISAIA pilot project also helped to cement working relationships among the NASA data centers, US ground-based observatories, and international data centers. The ISAIA project was formed as a collaborative effort between thirteen institutions that provided data to astronomers, space physicists, and planetary scientists. Among the fruits we ultimately hoped would come from this project would be a central site on the Web that any space scientist could use to efficiently locate existing data relevant to a particular scientific question. Furthermore, we hoped that the needed technology would be general enough to allow smaller, more-focused community within space science could use the same technologies and standards to provide more specialized services. A major challenge to searching for data across a broad community is that information that describe some data products are either not relevant to other data or not applicable in the same way. Some previous metadata standard development efforts (e.g., in the earth science and library communities) have produced standards that are very large and difficult to support. To address this problem, we studied how a standard may be divided into separable pieces. Data providers that wish to participate in interoperable searches can support only those parts of the standard that are relevant to them. We prototyped a top-level metadata standard that was small and applicable to all space science data.
Hanisch, Robert J.↗
Optimal Estimation Retrievals and Their Uncertainties: What Every Atmospheric Scientist Should Know
Remote sensing instruments are heavily used to provide observations for both the operational and research communities. These sensors do not provide direct observations of the desired atmospheric variables, but instead, retrieval algorithms are necessary to convert the indirect observations into the variable of interest. It is critical to be aware of the underlying assumptions made by many retrieval algorithms, including that the retrieval problem is often ill posed and that there are various sources of uncertainty that need to be treated properly. In short, the retrieval challenge is to invert a set of noisy observations to obtain estimates of atmospheric quantities. The problem is often complicated by imperfect forward models, by imperfect prior knowledge, and by the existence of nonunique solutions. Optimal estimation (OE) is a widely used physical retrieval method that combines measurements, prior information, and the corresponding uncertainties based on Bayes’s theorem to find an optimal solution for the atmospheric state. Furthermore, OE also allows the relative contributions of the different sources of error to the uncertainty in the final retrieved atmospheric state to be understood. Here, we provide a novel Python library to illustrate the use of OE for inverse problems in the atmospheric sciences. We introduce two example problems: how to retrieve drop size distribution parameters from radar observations and how to retrieve the temperature profile from ground-based microwave sensors. Using these examples, we discuss common pitfalls, how the various error sources impact the retrieval, and how the quality of the retrieval results can be quantified.
54 ENVIRONMENTAL SCIENCES↗
Reanalysis of Rat Data from Spacelab Life Sciences 2 (SLS-2) to Reveal Research Gaps in Spaceflight Data
Using and analyzing the legacy data obtained in space life sciences missions has the potential to provide researchers a complete picture of the molecular changes associated with space without further experimentation. This project’s objective is to extract, filter, organize, and analyze all Rattus norvegicus data and metadata obtained from Columbia’s Spacelab Life Sciences 2 (SLS-2, STS-58) mission to explore the ways that we can compile information from model organisms, in our case rats, to create a reliable model to understand biological mechanisms in response to these space flight changes. By reusing rare space legacy data coupled with data analysis techniques, we can combine individual preexisting datasets with current ones to gain new, comprehensive insights about the effects of spaceflight on our bodies. Our methods can also lead to the creation of a standardized pipeline that could be applied to other space life science datasets for analysis. In this review, every biological experiment conducted on rats in the SLS-2 Mission was studied with our pipeline to create a new biological library and model that could be used by scientists from around the world to make novel discoveries and develop new hypotheses from this priceless information without the limitation of the costs of spaceflight experimentation.
rats↗
Activities at the Lunar and Planetary Institute
The activities of the Lunar and Planetary Institute for the period July to December 1984 are discussed. Functions of its departments and projects are summarized. These include: planetary image center; library information center; computer center; production services; scientific staff; visitors program; scientific projects; conferences; workshops; seminars; publications and communications; panels, teams, committees and working groups; NASA-AMES vertical gun range (AVGR); and lunar and planetary science council.
Source record↗
Quantum pixel representations and compression for N-dimensional images
Abstract We introduce a novel and uniform framework for quantum pixel representations that overarches many of the most popular representations proposed in the recent literature, such as (I)FRQI, (I)NEQR, MCRQI, and (I)NCQI. The proposed QPIXL framework results in more efficient circuit implementations and significantly reduces the gate complexity for all considered quantum pixel representations. Our method scales linearly in the number of pixels and does not use ancilla qubits. Furthermore, the circuits only consist of $$R_y$$ R y gates and $$\text {CNOT}$$ CNOT gates making them practical in the NISQ era. Additionally, we propose a circuit and image compression algorithm that is shown to be highly effective, being able to reduce the necessary gates to prepare an FRQI state for example scientific images by up to 90% without sacrificing image quality. Our algorithms are made publicly available as part of , a Quantum Image Pixel Library.
97 MATHEMATICS AND COMPUTING↗
Artificial Intelligence (AI) Methods for Augmenting the IMPACT Tool Evidence Library
Development of the Evidence Library for use with the IMPACT probability risk assessment tool took several years and involved a staggering amount of effort from a multi-disciplinary team. A very significant amount of the labor effort to collect, assess and finalize the Clinical Finding Form (CliFF) for each of the 119 medical conditions was provided by physician subject matter experts from the Exploration Medical Capability (ExMC) Element Clinical and Science Team. Many AI tools such as ChatGPT are excellent at summarizing large amounts of information and the current project was initiated to determine how such tools might streamline laborious processes, e.g., review and summarization of many scientific research publications, to execute key steps more efficiently in the process of developing CliFFs. The process for collecting the evidence which is found in the CliFFs is well documented in the Evidence Library Methods document (ELM; HRP-48036*). Using ELM and the CliFF development instructions as a guideline, a team of developers is leveraging Microsoft Azure AI tools and services along with open-source frameworks, to construct an AI-assisted automated pipeline. This pipeline is designed to search, retrieve, and process the necessary data sources, and ultimately help generate the final version of a CliFF. Currently, the large language model evaluates the relevance of each source material to spaceflights, either as direct evidence or as an analog. Additionally, the model assists in extracting keywords and generating brief summaries to enhance augmented retrieval and search processes in later stages of CliFF development. Once the data is ready, the model can perform semantic search and retrieval, generating and extracting valuable information for the CliFF. For instance, it can handle epidemiological statistical data, such as incidence rates and the likelihood of best or worst-case scenarios. The steps that required reading and summarizing articles were viewed as providing the greatest return on investment since large language models are very efficient and accurate in summarizing large amounts of text. Since labor effort to complete the original CliFF was not recorded with sufficient granularity, comparisons with an AI tool-generated CliFF will provide merely an approximation of time saved. Upon completion of the process, the CliFF for the medical condition “appendicitis” generated with the support of AI-based methods will serve as a proof-of-concept and will be compared to the original appendicitis CliFF to determine if use of the tools resulted in content and conclusory similarity. Based upon the results from face validation of the two CliFFs, modifications to the process will be made if necessary and additional condition CliFFs will be evaluated. Ultimately, CliFFs for the entire set of medical conditions will be created with the assistance of AI tools. Depending on the cost savings realized, CliFFs for additional medical conditions can be created to expand the Evidence Library. Future direction includes specifying the characteristics of the reviewer (prompting the AI tools to generate output assuming the reviewer is a sub-specialist physician, or nurse or EMT/medic) to determine if the effects on AI-generated output are different based on knowledge, skills and abilities. *Exploration Medical Capability Evidence Library Methods, HRP-48036 Rev A, July 2022.
Ali Al↗
An Open Source Web Map Server Implementation For California and the Digital Earth: Lessons Learned
This paper describes an Open Source implementation of the Open GIS Consortium's Web Map interface. It is based on the very popular Apache WWW Server, the Sun Microsystems Java ServIet Development Kit, and a C language shared library interface to a spatial datastore. This server was initially written as a proof of concept, to support a National Aeronautics and Space Administration (NASA) Digital Earth test bed demonstration. It will also find use in the California Land Science Information Partnership (CaLSIP), a joint program between NASA and the state of California. At least one WebMap enabled server will be installed in every one of the state's 58 counties. This server will form a basis for a simple, easily maintained installation for those entities that do not yet require one of the larger, more expensive, commercial offerings.
Sullivan, D. V.↗
NeMO-Net: The Neural Multi-Modal Observation and Training Network for Global Coral Reef Assessment
In the past decade, coral reefs worldwide have experienced unprecedented stresses due to climate change, ocean acidification, and anthropomorphic pressures, instigating massive bleaching and die-off of these fragile and diverse ecosystems. Furthermore, remote sensing of these shallow marine habitats is hindered by ocean wave distortion, refraction and optical attenuation, leading invariably to data products that are often of low resolution and signal-to-noise (SNR) ratio. However, recent advances in UAV and Fluid Lensing technology have allowed us to capture multispectral 3D imagery of these systems at sub-cm scales from above the water surface, giving us an unprecedented view of their growth and decay. Exploiting the fine-scaled features of these datasets, machine learning methods such as MAP, PCA, and SVM can not only accurately classify the living cover and morphology of these reef systems (below 8 percent error), but are also able to map the spectral space between airborne and satellite imagery, augmenting and improving the classification accuracy of previously low-resolution datasets. We are currently implementing NeMO-Net, the first open-source deep convolutional neural network (CNN) and interactive active learning and training software to accurately assess the present and past dynamics of coral reef ecosystems through determination of percent living cover and morphology. NeMO-Net will be built upon the QGIS platform to ingest UAV, airborne and satellite datasets from various sources and sensor capabilities, and through data-fusion determine the coral reef ecosystem makeup globally at unprecedented spatial and temporal scales. To achieve this, we will exploit virtual data augmentation, the use of semi-supervised learning, and active learning through a tablet platform allowing for users to manually train uncertain or difficult to classify datasets. The project will make use of Pythons extensive libraries for machine learning, as well as extending integration to GPU and High-End Computing Capability (HECC) on the Pleiades supercomputing cluster, located at NASA Ames. The project is being supported by NASAs Earth Science Technology Office (ESTO) Advanced Information Systems Technology (AIST-16) Program.
NeMO-Net↗
NeMO-Net The Neural Multi-Modal Observation Training Network for Global Coral Reef Assessment
In the past decade, coral reefs worldwide have experienced unprecedented stresses due to climate change, ocean acidification, and anthropomorphic pressures, instigating massive bleaching and die-off of these fragile and diverse ecosystems. Furthermore, remote sensing of these shallow marine habitats is hindered by ocean wave distortion, refraction and optical attenuation, leading invariably to data products that are often of low resolution and signal-to-noise (SNR) ratio. However, recent advances in UAV and Fluid Lensing technology have allowed us to capture multispectral 3D imagery of these systems at sub-cm scales from above the water surface, giving us an unprecedented view of their growth and decay. Exploiting the fine-scaled features of these datasets, machine learning methods such as MAP, PCA, and SVM can not only accurately classify the living cover and morphology of these reef systems (below 8 error), but are also able to map the spectral space between airborne and satellite imagery, augmenting and improving the classification accuracy of previously low-resolution datasets.We are currently implementing NeMO-Net, the first open-source deep convolutional neural network (CNN) and interactive active learning and training software to accurately assess the present and past dynamics of coral reef ecosystems through determination of percent living cover and morphology. NeMO-Net will be built upon the QGIS platform to ingest UAV, airborne and satellite datasets from various sources and sensor capabilities, and through data-fusion determine the coral reef ecosystem makeup globally at unprecedented spatial and temporal scales. To achieve this, we will exploit virtual data augmentation, the use of semi-supervised learning, and active learning through a tablet platform allowing for users to manually train uncertain or difficult to classify datasets. The project will make use of Pythons extensive libraries for machine learning, as well as extending integration to GPU and High-End Computing Capability (HECC) on the Pleiades supercomputing cluster, located at NASA Ames. The project is being supported by NASAs Earth Science Technology Office (ESTO) Advanced Information Systems Technology (AIST-16) Program.
Remote Sensin↗
Illuminating Ligand Field Contributions to Molecular Qubit Spin Relaxation via T 1 Anisotropy
Electron spin relaxation in paramagnetic transition metal complexes constitutes a key limitation on the growth of molecular quantum information science. However, there exist very few experimental observables for probing spin relaxation mechanisms, leading to a proliferation of inconsistent theoretical models. Here we demonstrate that spin relaxation anisotropy in pulsed electron paramagnetic resonance is a powerful spectroscopic probe for molecular spin dynamics across a library of highly coherent Cu(II) and V(IV) complexes. Here, neither the static spin Hamiltonian anisotropy nor contemporary computational models of spin relaxation are able to account for the experimental T 1 anisotropy. Through analysis of the spin-orbit coupled wavefunctions, we derive an analytical theory for the T 1 anisotropy that accurately reproduces the average experimental anisotropy of 2.5. Furthermore, compound-by-compound deviations from the average anisotropy provide a promising approach for observing specific ligand field and vibronic excited state coupling effects on spin relaxation. Finally, we present a simple density functional theory workflow for computationally predicting T 1 anisotropy. Analysis of spin relaxation anisotropy leads to deeper fundamental understanding of spin-phonon coupling and relaxation mechanisms, promising to complement temperature-dependent relaxation rates as a key metric for understanding molecular spin qubits.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Earthbound applications for NASA's physician workstation
The dream of a space probe to Mars or an astronaut colony on the moon persists. Despite years of setbacks and delays, NASA continues to lay the foundation for a new frontier in space. The necessity of a self contained health maintenance facility is an integral part of this stellar venture. As a subsystem of this health maintenance facility, the physician or astronaut workstation was envisioned as the vehicle of interface between the computer resources of the space station and the care provider. Our efforts to define and build this interface have resulted in a series of programs which can now be tested and refined using earth-based applications. The modules which have dual-use application from the NASA workstation include: patient scheduling and master patient index, pharmacy, laboratory, medical library, problem list/progress notes, and digital medical records. Our current plan is to develop these tools as objects that can be assembled in a variety of configurations. This will allow the technology to be used by the private sector where each doctor can select the starting point of his outpatient office system and add modules as he makes progress in system integration and training.
NASA Discipline Number 70-30↗
Determination of Solar System R-Process Abundances using ENDF/B-VIII.0 and TENDL-2015 libraries
Recent multi-messenger detection of the binary neutron star merger (GW170817) energized the astrophysical community and encouraged further research for determination of nuclear physics observables. Comprehensive studies of atomic nuclei in the cosmos provide an opportunity for investigating these astrophysical phenomena and acquiring complementary information on stellar nucleosynthesis processes that can be verified using the latest nuclear data. Evaluated Nuclear Data File (ENDF) libraries contain complete collections of reaction cross sections over the energy range relevant to astrophysics, fission yields and decay data. These data collections have been used worldwide in nuclear science, industry and national security applications. There is great interest in exploring the ENDF/B-VIII.0 and TALYS Evaluated Nuclear Data Library (TENDL-2015) for nuclear astrophysics purposes and comparing findings with the Karlsruhe Astrophysical Database of Nucleosynthesis in Stars (KADoNiS). The Maxwellian-averaged cross sections (MACS) and astrophysical reaction rates have been calculated using the ENDF/B-VIII.0 and TENDL-2015 evaluated data sets. The calculated cross sections were combined with the solar system abundances and fitted using the classical model of stellar nucleosynthesis. Astrophysical rapid- and slow-neutron capture, r- and s-process, respectively, abundances were obtained from present data and compared with available values. Further analysis of MACS reveals potential evaluated libraries data deficiencies and a strong need for new measurements. The current results demonstrate a large nuclear astrophysics potential of evaluated libraries and mutually beneficial relations between nuclear industry and research e orts.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Semi-Supervised Data Summarization: Using Spectral Libraries to Improve Hyperspectral Clustering
Hyperspectral imagers produce very large images, with each pixel recorded at hundreds or thousands of different wavelengths. The ability to automatically generate summaries of these data sets enables several important applications, such as quickly browsing through a large image repository or determining the best use of a limited bandwidth link (e.g., determining which images are most critical for full transmission). Clustering algorithms can be used to generate these summaries, but traditional clustering methods make decisions based only on the information contained in the data set. In contrast, we present a new method that additionally leverages existing spectral libraries to identify materials that are likely to be present in the image target area. We find that this approach simultaneously reduces runtime and produces summaries that are more relevant to science goals.
Wagstaff, K. L.↗
NASA planetary data: applying planetary satellite remote sensing data in the classroom
NASA supports several data archiving and distribution mechanisms that provide a means whereby scientists can participate in education and outreach through the use of technology for data and information dissemination. The Planetary Data System (PDS) is sponsored by NASA's Office of Space Science. Its purpose is to ensure the long-term usability of NASA data and to stimulate advanced research. In addition, the NASA Regional Planetary Image Facility (RPIF), an international system of planetary image libraries, maintains photographic and digital data as well as mission documentation and cartographic data.
Regional Plaentary Image Facility RPIF Planetary D↗