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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Query Optimization for Graph Analytics on Linked Data Using SPARQL

Triplestores that support query languages such as SPARQL are emerging as the preferred and scalable solution to represent data and meta-data as massive heterogeneous graphs using Semantic Web standards. With increasing adoption, the desire to conduct graph-theoretic mining and exploratory analysis has also increased. Addressing that desire, this paper presents a solution that is the marriage of Graph Theory and the Semantic Web. We present software that can analyze Linked Data using graph operations such as counting triangles, finding eccentricity, testing connectedness, and computing PageRank directly on triple stores via the SPARQL interface. We describe the process of optimizing performance of the SPARQL-based implementation of such popular graph algorithms by reducing the space-overhead, simplifying iterative complexity and removing redundant computations by understanding query plans. Our optimized approach shows significant performance gains on triplestores hosted on stand-alone workstations as well as hardware-optimized scalable supercomputers such as the Cray XMT.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2015

Asymmetric projections of the arcuate fasciculus to the temporal cortex underlie lateralized language function in the human brain

The arcuate fasciculus (AF) in the human brain has asymmetric structural properties. However, the topographic organization of the asymmetric AF projections to the cortex and its relevance to cortical function remain unclear. Here we mapped the posterior projections of the human AF in the inferior parietal and lateral temporal cortices using surface-based structural connectivity analysis based on diffusion MRI and investigated their hemispheric differences. We then performed the cross-modal comparison with functional connectivity based on resting-state functional MRI (fMRI) and task-related cortical activation based on fMRI using a semantic classification task of single words. Structural connectivity analysis showed that the left AF connecting to Broca's area predominantly projected in the lateral temporal cortex extending from the posterior superior temporal gyrus to the mid part of the superior temporal sulcus and the middle temporal gyrus, whereas the right AF connecting to the right homolog of Broca's area predominantly projected to the inferior parietal cortex extending from the mid part of the supramarginal gyrus to the anterior part of the angular gyrus. The left-lateralized projection regions of the AF in the left temporal cortex had asymmetric functional connectivity with Broca's area, indicating structure-function concordance through the AF. During the language task, left-lateralized cortical activation was observed. Among them, the brain responses in the temporal cortex and Broca's area that were connected through the left-lateralized AF pathway were specifically correlated across subjects. These results suggest that the human left AF, which structurally and functionally connects the mid temporal cortex and Broca's area in asymmetrical fashion, coordinates the cortical activity in these remote cortices during a semantic decision task. As a result, the unique feature of the left AF is discussed in the context of the human capacity for language.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2006

Data Model Management for Space Information Systems

The Reference Architecture for Space Information Management (RASIM) suggests the separation of the data model from software components to promote the development of flexible information management systems. RASIM allows the data model to evolve independently from the software components and results in a robust implementation that remains viable as the domain changes. However, the development and management of data models within RASIM are difficult and time consuming tasks involving the choice of a notation, the capture of the model, its validation for consistency, and the export of the model for implementation. Current limitations to this approach include the lack of ability to capture comprehensive domain knowledge, the loss of significant modeling information during implementation, the lack of model visualization and documentation capabilities, and exports being limited to one or two schema types. The advent of the Semantic Web and its demand for sophisticated data models has addressed this situation by providing a new level of data model management in the form of ontology tools. In this paper we describe the use of a representative ontology tool to capture and manage a data model for a space information system. The resulting ontology is implementation independent. Novel on-line visualization and documentation capabilities are available automatically, and the ability to export to various schemas can be added through tool plug-ins. In addition, the ingestion of data instances into the ontology allows validation of the ontology and results in a domain knowledge base. Semantic browsers are easily configured for the knowledge base. For example the export of the knowledge base to RDF/XML and RDFS/XML and the use of open source metadata browsers provide ready-made user interfaces that support both text- and facet-based search. This paper will present the Planetary Data System (PDS) data model as a use case and describe the import of the data model into an ontology tool. We will also describe the current effort to provide interoperability with the European Space Agency (ESA)/Planetary Science Archive (PSA) which is critically dependent on a common data model.

RDF↗
DOE OSTI2016

An implementation and evaluation of the MPI 3.0 one-sided communication interface

The Q1 Message Passing Interface (MPI) 3.0 standard includes a significant revision to MPI’s remote memory access (RMA) interface, which provides support for one-sided communication. MPI-3 RMA is expected to greatly enhance the usability and performance ofMPI RMA.We present the first complete implementation of MPI-3 RMA and document implementation techniques and performance optimization opportunities enabled by the new interface. Our implementation targets messaging-based networks and is publicly available in the latest release of the MPICH MPI implementation. Here using this implementation, we explore the performance impact of new MPI-3 functionality and semantics. Results indicate that the MPI-3 RMA interface provides significant advantages over the MPI-2 interface by enabling increased communication concurrency through relaxed semantics in the interface and additional routines that provide new window types, synchronization modes, and atomic operations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Performance Exploration Through Optimistic Static Program Annotations

Compilers are limited by the static information directly or indirectly encoded in the program. Low-level languages, such as C/C++, are considered problematic as their weak type system and relaxed memory semantic allows for various, sometimes non-obvious, behaviors. Since compilers have to preserve the program semantics for all program executions, the existence of exceptional behavior can prevent optimizations that the developer would consider valid and might expect. Analyses to guarantee the absence of disruptive and unlikely situations are consequently an indispensable part of an optimizing compiler. However, such analyses have to be approximative and limited in scope as global and exact solutions are infeasible for any non-trivial program. In this paper, we present an automated tool to measure the effectmissing static information has on the optimizations applied to a given program. The approach generates an optimistically optimized program version which, compared to the original, defines a performance gap that can be closed by better compiler analyses and selective static program annotations. Our evaluation on six already tuned proxy applications for high-performance codes shows speedups of up to 20.6%. This clearly indicates that static uncertainty limits performance. At the same time, we observed that compilers are often unable to utilize additional static information. Thus, manual annotation of all correct static information is therefore not only error prone but also mostly redundant.

Auto Tuning↗
DOE OSTI2022

Exploring Gradient-Based Multi-directional Controls in GANs

Generative Adversarial Networks (GANs) have been widely applied in modeling diverse image distributions. However, despite its impressive applications, the structure of the latent space in GANs largely remains as a black-box, leaving its controllable generation an open problem, especially when spurious correlations between different semantic attributes exist in the image distributions. To address this problem, previous methods typically learn linear directions or individual channels that control semantic attributes in the image space. However, they often suffer from imperfect disentanglement, or are unable to obtain multi-directional controls. Furthermore, in this work, in light of the above challenges, we propose a novel approach that discovers nonlinear controls, which enables multi-directional manipulation as well as effective disentanglement, based on gradient information in the learned GAN latent space. More specifically, we first learn interpolation directions by following the gradients from classification networks trained separately on the attributes, and then navigate the latent space by exclusively controlling channels activated for the target attribute in the learned directions. Empirically, with small training data, our approach is able to gain fine-grained controls over a diverse set of bi-directional and multi-directional attributes, and we showcase its ability to achieve disentanglement significantly better than state-of-the-art methods both qualitatively and quantitatively.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Text-based Analytics for Biosurveillance

The ability to prevent, mitigate, or control a biological threat depends on how quickly the threat is identified and characterized. Ensuring the timely delivery of data and analytics is an essential aspect of providing adequate situational awareness in the face of a disease outbreak. This chapter outlines an analytic pipeline for supporting an advanced early warning system that can integrate multiple data sources and provide situational awareness of potential and occurring disease situations. The pipeline, includes real-time automated data analysis founded on natural language processing (NLP), semantic concept matching, and machine learning techniques, to enrich content with metadata related to biosurveillance. Online news articles are presented as an example use case for the pipeline, but the processes can be generalized to any textual data. In this chapter, the mechanics of a streaming pipeline are briefly discussed as well as the major steps required to provide targeted situational awareness. The text-based analytic pipeline includes various processing steps as well as identifying article relevance to biosurveillance (e.g., relevance algorithm) and article feature extraction (who, what, where, why, how, and when). The ability to prevent, mitigate, or control a biological threat depends on how quickly the threat is identified and characterized. Ensuring the timely delivery of data and analytics is an essential aspect of providing adequate situational awareness in the face of a disease outbreak. This chapter outlines an analytic pipeline for supporting an advanced early warning system that can integrate multiple data sources and provide situational awareness of potential and occurring disease situations. The pipeline, includes real-time automated data analysis founded on natural language processing (NLP), semantic concept matching, and machine learning techniques, to enrich content with metadata related to biosurveillance. Online news articles are presented as an example use case for the pipeline, but the processes can be generalized to any textual data. In this chapter, the mechanics of a streaming pipeline are briefly discussed as well as the major steps required to provide targeted situational awareness. The text-based analytic pipeline includes various processing steps as well as identifying article relevance to biosurveillance (e.g., relevance algorithm) and article feature extraction (who, what, where, why, how, and when).

Biomedical NLP↗
DOE OSTI2018

ColdRoute: effective routing of cold questions in stack exchange sites

Routing questions in Community Question Answer services such as Stack Exchange sites is a well-studied problem. Yet, cold-start—a phenomena observed when a new question is posted is not well addressed by existing approaches. Additionally, cold questions posted by new askers present significant challenges to state-of-the-art approaches. We propose ColdRoute to address these challenges. ColdRoute is able to handle the task of routing cold questions posted by new or existing askers to matching experts. Specifically, we use Factorization Machines on the one-hot encoding of critical features such as question tags and compare our approach to well-studied techniques such as CQARank and semantic matching (LDA, BoW, and Doc2Vec). Furthermore by using data from eight stack exchange sites, we are able to improve upon the routing metrics (Precision@1, Accuracy, MRR) over the state-of-the-art models such as semantic matching by 159.5, 31.84, and 40.36% for cold questions posted by existing askers, and 123.1, 27.03, and 34.81% for cold questions posted by new askers respectively.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2016

Interval-Valued Rank in Finite Ordered Sets

We consider the concept of rank as a measure of the vertical levels and positions of elements of partially ordered sets (posets). We are motivated by the need for algorithmic measures on large, real-world hierarchically-structured data objects like the semantic hierarchies of ontolog- ical databases. These rarely satisfy the strong property of gradedness, which is required for traditional rank functions to exist. Representing such semantic hierarchies as finite, bounded posets, we recognize the duality of ordered structures to motivate rank functions which respect verticality both from the bottom and from the top. Our rank functions are thus interval-valued, and always exist, even for non-graded posets, providing order homomorphisms to an interval order on the interval-valued ranks. The concept of rank width arises naturally, allowing us to identify the poset region with point-valued width as its longest graded portion (which we call the “spindle”). A standard interval rank function is naturally motivated both in terms of its extremality and on pragmatic grounds. Its properties are examined, including the relation- ship to traditional grading and rank functions, and methods to assess comparisons of standard interval-valued ranks.

Joslyn, Cliff↗
DOE OSTI2022

Formal verification and validation of run-to-completion style state charts using Event-B

State chart notations with ‘run to completion’ semantics are popular with engineers for designing controllers that react to environment events with a sequence of state transitions but lack formal refinement and rigorous verification methods. State chart models are typically used to design complex control systems that respond to environmental triggers with a sequential process. The model is usually constructed at a concrete level and verified and validated using animation techniques relying on human judgement. Event-B, on the other hand, is based on refinement from an initial abstraction and is designed to make formal verification by automatic theorem provers feasible. Abstraction and formal verification provide greater assurance that critical (e.g. safety or security) properties are not violated by the control system. In this paper, we introduce a notion of refinement into a ‘run to completion’ state chart modelling notation and leverage Event-B’s tool support for theorem proving. We describe the difficulties in translating ‘run to completion’ semantics into Event-B refinements and suggest a solution. We illustrate our approach and show how models can be validated at different refinement levels using our scenario checker animation tools. We show how critical invariant properties can be verified by proof despite the reactive nature of the system and how behavioural aspects of the system can be verified by testing the expected reactions using a temporal logic, model checking approach. To verify liveness, we outline a proof that the run to completion is deadlock-free and converges to complete the run.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Adoption of image-driven machine learning for microstructure characterization and materials design: A Perspective

Microstructure characterization enables the development of structure-processing-property relationships critical to several research areas within the broad field of materials science, from alloy design to the assessment of corrosion resistance, and failure analysis. Conventional approaches to material characterization have relied on either qualitative inference by the human ex-pert or software applications that can extract high-level features from images, such as boundary segmentation, average grain diameter, etc. Such approaches rely heavily on subject matter expert user intervention and knowledge of what phases or more generally, what microstructural features, are of interest. The recent surge in the adoption of machine learning techniques to address problems in materials engineering has brought with it an increased interest and application of Image Driven Machine Learning (IDML) approaches. In this work, we review the applications of IDML to the field of materials characterization. A canonical hierarchy of stages is defined, which when put sequentially together completes an IDML study: problem definition, dataset building, model selection and training, model evaluation, and integration with existing instrumentation or simulation workflow. The studies reviewed in this work are analyzed from the perspective of each of these stages. Such a review permits agranular assessment of the field, for example the impact of IDML on materials characterization at the nanoscale, the size of a typical dataset required to train a semantic segmentation model on electron microscopy images, ubiquitousness of transfer learning in the domain, etc. Finally, we discuss the importance of interpretability and explainability in the field of IDML for materials characterization, and provide an overview of two emerging techniques in the field: semantic segmentation and generative adversarial networks.

Baskaran, Arun↗
DOE OSTI2025

Automated model generation and parameter estimation of building energy models using an ontology-based framework

This study presents a methodology for automated model generation and parameter estimation of building energy models using semantic modeling and Bayesian estimation. Semantic modeling techniques are used to represent the system components and their interactions, facilitating the automatic generation of a simulation model from dynamic component models. The proposed approach is applied to a case study of a ventilation system where a simulation model is generated, calibrated, and assessed through different performance metrics. These metrics demonstrate the accuracy and reliability of both model point estimates and probabilistic prediction intervals across all model outputs. Overall, the proposed methodology offers a systematic and automated approach to model development and calibration in building energy systems, with potential applications in building performance analysis, monitoring, and optimization.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

An interactive ontology-driven information system for simulating background radiation and generating scenarios for testing special nuclear materials detection algorithms

This paper describes an original approach to generating scenarios for the purpose of testing the algorithms used to detect special nuclear materials (SNM) that incorporates the use of ontologies. Separating the signal of SNM from the background requires sophisticated algorithms. To assist in developing such algorithms, there is a need for scenarios that capture a very wide range of variables affecting the detection process, depending on the type of detector being used. To provide such a cpability, we developed an ontology-driven information system (ODIS) for generating scenarios that can be used in creating scenarios for testing of algorithms for SNM detection. The ontology-driven scenario generator (ODSG) is an ODIS based on information supplied by subject matter experts and other documentation. The details of the creation of the ontology, the development of the ontology-driven information system, and the design of the web user interface (UI) are presented along with specific examples of scenarios generated using the ODSG. We demonstrate that the paradigm behind the ODSG is capable of addressing the problem of semantic complexity at both the user and developer levels. Compared to traditional approaches, an ODIS provides benefits such as faithful representation of the users' domain conceptualization, simplified management of very large and semantically diverse datasets, and the ability to handle frequent changes to the application and the UI. Furthermore, the approach makes possible the generation of a much larger number of specific scenarios based on limited user-supplied information

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Towards the next generation of Geospatial Artificial Intelligence

Geospatial Artificial Intelligence (GeoAI), as the integration of geospatial studies and AI, has become one of the fastest-developing research directions in spatial data science and geography. This rapid change in the field calls for a deeper understanding of the recent developments and envision where the field is going in the near future. In this work, we provide a quantitative analysis of the GeoAI literature from the spatial, temporal, and semantic aspects. We briefly discuss the history of AI and GeoAI by highlighting some pioneering work. Then we discuss the current landscape of GeoAI by selecting five representative subdomains including remote sensing, urban computing, Earth system science, cartography, and geospatial semantics. Finally, we highlight several unique future research directions of GeoAI which are classified into two groups: GeoAI method development challenges and GeoAI Ethics challenges. Topics include heterogeneity-aware GeoAI, knowledge-guided GeoAI, spatial representation learning, geo-foundation models, fairness-aware GeoAI, privacy-aware GeoAI, as well as interpretable and explainable GeoAI. We hope our review of GeoAI’s past, present, and future is comprehensive and can enlighten the next generation of GeoAI research.

58 GEOSCIENCES↗
DOE OSTI2017

Automatic translation of MPI source into a latency-tolerant, data-driven form

Hiding communication behind useful computation is an important performance programming technique but remains an inscrutable programming exercise even for the expert. We present Bamboo, a code transformation framework that can realize communication overlap in applications written in MPI without the need to intrusively modify the source code. Bamboo reformulates MPI source into the form of a task dependency graph that expresses a partial ordering among tasks, enabling the program to execute in a data-driven fashion under the control of an external runtime system. Experimental results demonstrate that Bamboo significantly reduces communication delays while requiring only modest amounts of programmer annotation for a variety of applications and platforms, including those employing co-processors and accelerators. Moreover, Bamboo's performance meets or exceeds that of labor-intensive hand coding. The translator is more than a means of hiding communication costs automatically; it demonstrates the utility of semantic level optimization against a wellknown library.

Communication-computation↗
DOE OSTI2026

Segmentation method comparison for residual fiber length measurement across tiled microscopy images

Fiber length distribution (FLD), in part, governs mechanical properties in discontinuous fiber composites, yet manual measurement methods limit the high-throughput characterization needed for materials design optimization. This study compares deep learning segmentation approaches for automated FLD measurement in large-field microscopy, evaluating how method choice affects the microstructural descriptors used in structure-property-processing relationships. A critical challenge is that high-resolution microscopy images (10,000×10,000 pixels) must be tiled for deep learning analysis, fragmenting fibers at boundaries. We demonstrate that segmentation method proves crucial for measurement accuracy. For example, instance segmentation with Slicing Aided Hyper Inference (SAHI) preserves individual fiber integrity across tiles while semantic segmentation prioritizes speed. Comparing against manual measurement of extracted carbon fibers, YOLOv11-SAHI matched manual ground truth (238 μm weighted mean) with 40x speedup (4.5 vs 167 minutes per image). U-Net provides rapid quantification although it is at the cost of reduced accuracy due only reliably measuring stand-alone fibers. Our comparative analysis reveals that instance segmentation with SAHI better preserves length measurements while semantic segmentation prioritizes speed, providing empirical guidance for method selection. The characterization provides essential inputs for mechanical property prediction models and inverse design workflows, accelerating composite materials development cycles.

Additive manufacturing↗
DOE OSTI2022

PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format

The layout of portable document format (PDF) files is constant to any screen, and the metadata therein are latent, compared to mark-up languages such as HTML and XML. No semantic tags are usually provided, and a PDF file is not designed to be edited or its data interpreted by software. However, data held in PDF files need to be extracted in order to comply with opensource data requirements that are now government-regulated. In the chemical domain, related chemical and property data also need to be found, and their correlations need to be exploited to enable data science in areas such as data-driven materials discovery. Such relationships may be realized using text-mining software such as the “chemistry-aware” natural-language-processing tool, ChemDataExtractor; however, this tool has limited data-extraction capabilities from PDF files. This study presents the PDFDataExtractor tool, which can act as a plug-in to ChemDataExtractor. It outperforms other PDF-extraction tools for the chemical literature by coupling its functionalities to the chemical-named entityrecognition capabilities of ChemDataExtractor. The intrinsic PDF-reading abilities of ChemDataExtractor are much improved. The system features a template-based architecture. This enables semantic information to be extracted from the PDF files of scientific articles in order to reconstruct the logical structure of articles. While other existing PDF-extracting tools focus on quantity mining, this template-based system is more focused on quality mining on different layouts. PDFDataExtractor outputs information in JSON and plain text, including the metadata of a PDF file, such as paper title, authors, affiliation, email, abstract, keywords, journal, year, document object identifier (DOI), reference, and issue number. With a self-created evaluation article set, PDFDataExtractor achieved promising precision for all key assessed metadata areas of the document text.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Detecting lithium plating dynamics in a solid-state battery with operando X-ray computed tomography using machine learning

Operando X-ray micro-computed tomography (µCT) provides an opportunity to observe the evolution of Li structures inside pouch cells. Segmentation is an essential step to quantitatively analyzing µCT datasets but is challenging to achieve on operando Li-metal battery datasets due to the low X-ray attenuation of the Li metal and the sheer size of the datasets. Herein, we report a computational approach, batteryNET, to train an Iterative Residual U-Net-based network to detect Li structures. The resulting semantic segmentation shows singular Li-related component changes, addressing diverse morphologies in the dataset. In addition, visualizations of the dead Li are provided, including calculations about the volume and effective thickness of electrodes, deposited Li, and redeposited Li. We also report discoveries about the spatial relationships between these components. The approach focuses on a method for analyzing battery performance, which brings insight that significantly benefits future Li-metal battery design and a semantic segmentation transferrable to other datasets.

25 ENERGY STORAGE↗