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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Accelerating scientific discoveries through data-driven innovations

Developing artificial intelligence (AI) and machine learning (ML) methods that can accelerate scientific discoveries and advance science has become one of the important research directions for the AI/ML research community. It has been gaining increasing attention from researchers in diverse scientific areas, including biomedical science, materials science, climate science, physics, chemistry, and many others. Data-driven AI/ML innovations to enable reliable predictions and optimal decision making for scientific discoveries face several critical challenges, among which are high system complexity, large search space, incomplete knowledge, and small data, all of which demand novel strategies to effectively address them. Meeting these challenges and thereby accelerating scientific discoveries and industrial innovations, calls for research that can take full advantage of the latest advances in AI/ML to integrate data-driven techniques with scientific knowledge and is able to execute them in modern high-performance computing (HPC) environments at scale. This Patterns special collection "Accelerating scientific discoveries through data-driven innovations" features articles that showcase the promising roles of AI/ML and data-driven modeling in accelerating scientific discoveries and may inspire the next wave of data-driven innovations in various scientific domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

LinkML: an open data modeling framework

Background Scientific research relies on well-structured, standardized data; however, much of it is stored in formats such as free-text lab notebooks, nonstandardized spreadsheets, or data repositories. This lack of structure challenges interoperability, making data integration, validation, and reuse difficult. Findings LinkML (Linked Data Modeling Language) is an open framework that simplifies the process of authoring, validating, and sharing data. LinkML can describe a range of data structures, from flat, list-based models to complex, interrelated, and normalized models that utilize polymorphism and compound inheritance. It offers an approachable syntax that is not tied to any one technical architecture and can be integrated seamlessly with many existing frameworks. The LinkML syntax provides a standard way to describe schemas, classes, and relationships, allowing modelers to build well-defined, stable, and optionally ontology-aligned data structures. Once defined, LinkML schemas may be imported into other LinkML schemas. These key features make LinkML an accessible platform for interdisciplinary collaboration and a reliable way to define and share data semantics. Conclusions LinkML helps reduce heterogeneity, complexity, and the proliferation of single-use data models while simultaneously enabling compliance with FAIR (Findable, Accessible, Interoperable, and Reusable) data standards. LinkML has seen increasing adoption in various fields, including biology, chemistry, biomedicine, microbiome research, finance, electrical engineering, transportation, and commercial software development. In short, LinkML makes implicit models explicitly computable and allows data to be standardized at their origin. LinkML documentation and code are available at https://linkml.io/.

AI-ready data↗
DOE OSTI2019

Grid Data Crossing Platform (GriD-Xing)

This project is to develop a data management and analytics platform called Grid Data Crossing (GriD-Xing) that integrates data processing, storage, analysis, and visualization functionalities for users at industry (e.g., EMS and DMS) and universities. It intends to increase the applicability of large set of multi-source data (e.g., SCADA, PMU, μPMU, AMI, inverter, load/DER forecasting, and cyber data) and eventually improve the resilience, reliability, and security of critical energy infrastructure. GriD-Xing also intends to be a research platform to identify the usefulness of large multi-source data via case studies of interest to industry (e.g., 2011 southwest cold weather and 2016 Blue Cut fire events). In the first year, the team focused on the development and demonstration of large multi-source data (e.g., PMU, μPMU, SCADA, AMI, and cyber data) processing, storage, and analysis. Specifically, the team designed GriD-Xing framework in functional and structural aspects, developed GriD-Xing algorithms for large multi-source grid data processing, storage, and analysis, and finally demonstrated GriD-Xing prototype algorithms performance through a series of tests and case studies using real-world and simulation data.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2020

Comparing X-ray Color Selection in Separating X-ray Binary Classes using Color-Color-Intensity Diagrams

X-ray binaries exhibit a wide range of properties but there are few accepted methods to determine the nature of the compact object. Color-Color-Intensity diagrams have been suggested as a means of distinguishing between systems containing black holes from those containing neutron stars. However, this technique has been verified with data from only one instrument (RXTE/ASM) with a single set of X-ray colors defined using data available only in pre-determined energy bands. We test a selection of X-ray colors with a more sensitive instrument to determine the reliability of this method. We use data from the MAXI/Gas Slit Camera, which allows users to specify energy-bands. We test X-ray colors that have been previously defined in the literature as well as ones that we define specifically in this paper. A representative set of systems are used to construct Color-Color-Intensity diagrams in each set of colors to determine which are best for separating different classes. For studying individual sources certain bands are more effective than others. For a specified energy range, the separation of soft states in black hole binaries was possible only where both soft and hard colors included information from the lowest energy band. We confirm that Color-Color-Intensity diagrams can distinguish between systems containing black holes or neutron stars in all X-ray colors tested; this suggests an universality in the accretion processes governing these different classes. We suggest possible physical processes driving different classes of X-ray binaries to different locations in Color-Color-Intensity diagrams.

N Islam↗
NASA NTRSDate not supplied

Creating A Consistent Historical NASA POWER Solar Radiation Dataset to Support Renewable Energy, Building Energy Efficiency and Agro-Climatology Decisions

Prediction of Worldwide Energy Resources (POWER) project provides irradiance dataset to support renewable energy, building energy efficiency and agricultural needs. These datasets are derived from Global Energy and Water Cycle Experiment Surface Radiation Budget (GEWEX SRB) and Clouds and the Earth’s Radiant Energy System (CERES SYN1Deg). A systematic bias has been reported between these two datasets for the years with overlapping observations. For obtaining a consistent climate data record spanning the entire time record of observations, it is crucial to understand and remove the bias in the irradiance dataset. Inconsistency in solar radiation data can lead to inaccurate conclusions about solar energy potential and obscure real trends in solar radiation patterns that would impact energy availability assessments. In this study, we adapt quantile mapping approach to remove the systematic bias and to improve reliability of shortwave and longwave irradiance data. We present a validation of the bias corrected data against ground truth. For each 1° latitude and 1° longitude grid box across the globe, we match the CDFs of the reference dataset (CERES SYN1Deg) to that of the SRB dataset, thereby, adjusting the irradiance values to match the empirical distribution of two different measurements. The performance of quantile mapping is evaluated by using the metrics such as Mean Absolute Deviation (MAD). The results indicate that the quantile mapping significantly improves the accuracy and reliability of solar irradiance dataset especially for the weather conditions associated with high cloud cover and extreme irradiance values. The initial range of MAD for the studied sites for daily data was 4 to 19 Wm-2. After correction these reduced to 3 to 7 Wm-2. The findings from this study have important implications for solar energy system design, agricultural planning, and climate modeling community. Reducing the inconsistency and biases in solar irradiance dataset can enable better planning and operation of solar energy systems, leading to increased efficiency and cost-effectiveness. Additionally, this work also contributes to the statistical post-processing techniques in the renewable energy domain and highlights the potential of historical and near-real-time NASA POWER dataset as a valuable resource for solar energy research and applications.

POWER↗
DOE OSTI2025

Toward Drilling the Perfect Geothermal Well: An International Research Coordination Network for Geothermal Drilling Optimization Supported by Deep Machine Learning and Cloud Based Data Aggregation

The EDGE project, supported by the U.S. Department of Energy Geothermal Technologies Office under award DE-EE0008793, established a data-driven framework for improving the efficiency, cost-effectiveness, and reliability of geothermal well drilling. The project focused on developing scalable data infrastructure, advanced machine learning and probabilistic models, and integrated analytics tools to support continuous drilling optimization. A central objective was to reduce geothermal drilling costs by up to seventy percent while minimizing the risk of well failure through predictive diagnostics and adaptive planning. Over the project period, a comprehensive data repository was designed and deployed, incorporating records from over one hundred geothermal wells across varied geological settings. This repository supported both structured and unstructured data and adhered to FAIR data principles, enabling provenance tracking, quality control, and standardized metadata. The project introduced automated ingestion pipelines and a cloud-hosted platform that facilitated access to raw, processed, and derived datasets. This infrastructure served as the foundation for model development and analysis. Machine learning workflows were developed to predict key drilling metrics including rate of penetration, non-productive time, and total drilling costs. Self-organizing maps and dimensionality reduction methods were used to uncover operational patterns and outliers, while supervised learning algorithms such as random forests and deep neural networks were applied to forecast performance outcomes. The models were validated on heterogeneous datasets from both U.S. and Icelandic fields, demonstrating variable but significant predictive accuracy. The results indicated that finer temporal resolution, inclusion of lithological data, and consistency in operational annotations could substantially improve model performance. The project also implemented process mining techniques to reconstruct state-transition models from drilling event logs. These models enabled the identification of deviations from optimal workflows and provided insights into recurring failure modes. Analysis of non-productive time highlighted the impact of equipment failures, geological challenges, and human factors, offering opportunities for targeted mitigation strategies. The EDGE Dashboard was developed as a web-based expert system integrating data visualization, model outputs, and user-driven queries. It provided an accessible interface for operators to explore historical data, evaluate predicted outcomes, and compare drilling scenarios. Initial feedback from project partners suggested that the dashboard could serve as a foundation for more advanced advisory and optimization tools. Overall, the EDGE project demonstrated the feasibility and value of applying modern data science techniques to geothermal drilling. It delivered a set of interoperable tools and models that can support more efficient, lower-risk well development. The findings point toward a viable path for transitioning from advisory analytics to semi-autonomous drilling systems, contingent on continued collaboration, expanded datasets, and field validation. The project results have immediate relevance for drilling operations, data management practices, and future geothermal R&D efforts aimed at achieving reliable, cost-competitive geothermal energy at scale.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Event Detection and Classification Using Machine Learning Applied to PMU Data for the Western US Power System

Smart grid technology enhances our comprehension and reliability of the power grid, leveraging Phasor Measurement Unit (PMU) data—time-synchronized, high-frequency measurements gathered across the US power grid. This paper employs machine learning techniques to effectively analyze the vast PMU data in Wide Area Monitoring Systems (WAMS) for power grid event detection and classification. Analyzing several months of real-world PMU data, the paper focuses on machine learning for fast, precise event detection and classification, corroborated by utility event logs. Practical challenges like feature extraction, dimensionality reduction, and model selection are addressed. A novel feature yielding improved results is discovered, and a supplementary algorithm for detecting small power grid faults is developed. The final algorithm is validated using a month-long real PMU data set, demonstrating its capability in accurately identifying power grid events in near real-time.

machine learning, event detection, PMU↗
DOE OSTI2023

Visualization and Decision Making Design Under Uncertainty

Uncertainty is an important aspect to data understanding. Without awareness of the variability, error, or reliability of a dataset, the ability to make decisions on that data is limited. However, practices around uncertainty visualization remain domain-specific, rooted in convention, and in many instances, absent entirely. Part of the reason for this may be a lack of established guidelines for navigating difficult choices of when uncertainty should be added, how to visualize uncertainty, and how to evaluate its effectiveness. Unsurprisingly, the inclusion of uncertainty into visualizations is a major challenge to visualization. As work concerned with uncertainty visualization grows, it has become clear that simple visual additions of uncertainty information to traditional visualization methods do not appropriately convey the meaning of the uncertainty, pose many perceptual challenges, and, in the worst case, can lead a viewer to a completely wrong understanding of the data. These challenges are the driving motivator for this special issue.

data models↗
DOE OSTI2025

Business Case Analysis for Artificial Intelligence-Large Language Model Technology Integration

AI-assisted processes are expected to enhance operational efficiency and improve decision-making, supporting the long-term economic viability of nuclear power plants. However, detailed business analyses of AI-generated cost savings are rarely performed. Given the recent industry interest in Large Language Model (LLM), the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program has conducted a comprehensive business case analysis of LLM Artificial Intelligence (AI) implementation in nuclear plant engineering workflows. The research employed three complementary business case approaches to evaluate impact of an LLM, using three representative engineering processes as use-cases: Boric Acid Corrosion (BAC) Evaluations, Maintenance Rule Evaluations, and 10 CFR 50.59 Screenings. Through detailed workload analyses and structured interviews, the study quantified significant efficiency improvements ranging from 11% to 59% across these processes. The research further considers how these efficiency gains could translate into tangible reliability improvements through enhanced engineering capacity. Analysis of historical plant trip data indicates that enabling engineers to focus on proactive reliability activities could provide substantial financial benefits through avoided outages, potentially generating greater value than the direct efficiency improvements alone. By documenting successful applications, implementation challenges, and strategic opportunities, this research provides nuclear utilities with a practical framework for evaluating the value of AI technology to support long-term operations through advanced digital technologies.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2011

Prioritized LT Codes

The original Luby Transform (LT) coding scheme is extended to account for data transmissions where some information symbols in a message block are more important than others. Prioritized LT codes provide unequal error protection (UEP) of data on an erasure channel by modifying the original LT encoder. The prioritized algorithm improves high-priority data protection without penalizing low-priority data recovery. Moreover, low-latency decoding is also obtained for high-priority data due to fast encoding. Prioritized LT codes only require a slight change in the original encoding algorithm, and no changes at all at the decoder. Hence, with a small complexity increase in the LT encoder, an improved UEP and low-decoding latency performance for high-priority data can be achieved. LT encoding partitions a data stream into fixed-sized message blocks each with a constant number of information symbols. To generate a code symbol from the information symbols in a message, the Robust-Soliton probability distribution is first applied in order to determine the number of information symbols to be used to compute the code symbol. Then, the specific information symbols are chosen uniform randomly from the message block. Finally, the selected information symbols are XORed to form the code symbol. The Prioritized LT code construction includes an additional restriction that code symbols formed by a relatively small number of XORed information symbols select some of these information symbols from the pool of high-priority data. Once high-priority data are fully covered, encoding continues with the conventional LT approach where code symbols are generated by selecting information symbols from the entire message block including all different priorities. Therefore, if code symbols derived from high-priority data experience an unusual high number of erasures, Prioritized LT codes can still reliably recover both high- and low-priority data. This hybrid approach decides not only "how to encode" but also "what to encode" to achieve UEP. Another advantage of the priority encoding process is that the majority of high-priority data can be decoded sooner since only a small number of code symbols are required to reconstruct high-priority data. This approach increases the likelihood that high-priority data is decoded first over low-priority data. The Prioritized LT code scheme achieves an improvement in high-priority data decoding performance as well as overall information recovery without penalizing the decoding of low-priority data, assuming high-priority data is no more than half of a message block. The cost is in the additional complexity required in the encoder. If extra computation resource is available at the transmitter, image, voice, and video transmission quality in terrestrial and space communications can benefit from accurate use of redundancy in protecting data with varying priorities.

Woo, Simon S.↗
NASA NTRS1974

Assess program: Interactive data management systems for airborne research

Two data systems were developed for use in airborne research. Both have distributed intelligence and are programmed for interactive support among computers and with human operators. The C-141 system (ADAMS) performs flight planning and telescope control functions in addition to its primary role of data acquisition; the CV-990 system (ADDAS) performs data management functions in support of many research experiments operating concurrently. Each system is arranged for maximum reliability in the first priority function, precision data acquisition.

Munoz, R. M.↗
DOE OSTI2017

Data systems for the Linac coherent light source

Abstract The data systems for X-ray free-electron laser (FEL) experiments at the Linac coherent light source (LCLS) are described. These systems are designed to acquire and to reliably transport shot-by-shot data at a peak throughput of 5 GB/s to the offline data storage where experimental data and the relevant metadata are archived and made available for user analysis. The analysis and monitoring implementation (AMI) and Photon Science ANAlysis (psana) software packages are described. Psana is open source and freely available.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2003

Software Reliability 2002

In FY01 we learned that hardware reliability models need substantial changes to account for differences in software, thus making software reliability measurements more effective, accurate, and easier to apply. These reliability models are generally based on familiar distributions or parametric methods. An obvious question is 'What new statistical and probability models can be developed using non-parametric and distribution-free methods instead of the traditional parametric method?" Two approaches to software reliability engineering appear somewhat promising. The first study, begin in FY01, is based in hardware reliability, a very well established science that has many aspects that can be applied to software. This research effort has investigated mathematical aspects of hardware reliability and has identified those applicable to software. Currently the research effort is applying and testing these approaches to software reliability measurement, These parametric models require much project data that may be difficult to apply and interpret. Projects at GSFC are often complex in both technology and schedules. Assessing and estimating reliability of the final system is extremely difficult when various subsystems are tested and completed long before others. Parametric and distribution free techniques may offer a new and accurate way of modeling failure time and other project data to provide earlier and more accurate estimates of system reliability.

Wallace, Dolores R.↗
DOE OSTI2019

Is the subtropical jet shifting poleward?

The tropics are expanding poleward at about 0.5° per decade in observations. This poleward expansion of the circulation is consistently reported using Hadley cell edge metrics and lower-atmospheric tropical edge metrics. However, some upper-atmospheric tropical metrics report smaller trends that are often not significant. One such upper-atmospheric metric is the subtropical jet latitude, which has smaller trends compared to the Hadley cell edge. In this study we investigate the robustness of the weak trends in the subtropical jet position by introducing a new method for locating the subtropical jet, and examining the trends and variability of the subtropical jet latitude. We introduce the tropopause gradient method based on the peak gradient in potential temperature along the dynamic tropopause. Using this method we find the trends in the subtropical jet latitude are indeed much smaller than 0.5° per decade, consistent with previous studies. We also find that natural variability within the subtropical jet latitude would not prevent trends from being detected if they were similar to the Hadley cell edge, as trends greater than 0.24° per decade could reliably be detected using monthly data or 0.09° per decade using daily data. Despite the poleward expansion of the tropics, there is no robust evidence to suggest the subtropical jet is shifting poleward in either hemisphere. Neither the current diagnostic methods nor natural variability can account for the small subtropical jet trends. The most likely explanation, which requires further investigation, is that the subtropical jet position is not tied dynamically to the Hadley cell edge.

Maher, Penelope↗
DOE OSTI2017

Ensuring Safety of Hydraulic Equipment at the Votkinsk Hydroelectric Power Plant with an Automated Diagnostic Monitoring System

Experience with the use of an automated diagnostic monitoring system for the technical condition and safety of concrete structures at the Votkinsk HPP is discussed. The automated system for monitoring the state of the hydraulic engineering systems has been developed to increase the accuracy, reliability, and efficiency of the data from instrumental observations during operation of the plant.

42 ENGINEERING↗
DOE OSTI2019

Hot Flow Curve Description of CuFe2 Alloy via Different Artificial Neural Network Approaches

In this research, a mathematical description of hot flow curves of CuFe2 copper alloy has been assembled. Experimental flow curves of the investigated alloy were created on the basis of hot compression dataset. This dataset was acquired in the temperature range of 923-1223 K and the strain rate range of 0.1-10 s{sup −1}, with the maximum true strain value of 1.0. The experimental flow curves were described by two artificial neural network approaches. In the first case, a neural network has been created to approximate the experimental flow curves with respect to the true strain, strain rate and temperature. In the second case, a hybrid approach based on the combination of predictive models with neural networks has been utilized. In this case, five neural networks were used to describe parameters of these models in relation to the temperature and strain rate. Results have shown that the hybrid approach allows an accurate description of the experimental data and also provides more reliable prediction.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Energy levels, lifetimes and radiative data of W LV

Calculations of energy levels, radiative data and lifetimes are reported for tungsten Ca-like ion (W LV) by using multi-configuration Dirac–Fock (MCDF) method. The GRASP2K package is adopted to carry out a large-scale systematic computation with a restricted active space treatment; the Breit interaction and QED effects are included in subsequent relativistic configuration interaction calculations. The energies and lifetimes of the lowest 119 levels are listed; the main leading configuration of the levels is of the ground state configuration [Ne]3s{sup 2}3p{sup 6}3d{sup 2} and the first excited configuration [Ne]3s{sup 2}3p{sup 5}3d{sup 3}. The wavelengths, radiative rates and oscillator strengths for relatively strong E1, E2, M1, and M2 transitions are listed. Comparisons with earlier experimental and theoretical values are made. The average relative deviations of energy levels from the NIST results and E1 transition wavelengths from the EBIT experimental results have turned to be only 0.20% and 0.13%, respectively. The other present results are in reasonable agreement with available data. These agreements confirm the reliability and accuracy of the current results. The present datasets may help us with the investigation of the electron–electron correlation effects in complex multi-electron highly charged heavy ions and of the diagnosis of tungsten impurity plasmas in fusion science.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Unraveling spectral shapes of adventitious carbon on gold using a time-resolved high-resolution X-ray photoelectron spectroscopy and principal component analysis

To extract chemical information reliably, we propose a new data processing method based both on the creation of information vectors and on a vector base change. The originality of this method is the combination of the different core XPS peaks, Auger and/or valence bands in a single vector. We show that the measurement of a sample upon its progressive chemical change, such as accumulation of the adventitious carbon, allows us to create a new vector basis using linear algebra and Principal Component Analysis. In this work, we demonstrate the application of this method using adventitious carbon films on Au foil utilizing Au 4f, C 1s and O 1s spectral envelopes. This method expands the possibilities of XPS measured chemical environment analysis and is an operator-unbiased solution for materials for which the reference XPS spectra are not available. In this demonstration, the emphasis is placed on identifying changes in a C 1s peak assumed to be adventitious carbon and highlight uncertainties associated with calibrating the binding energy scale using a simple peak model to identify a component C 1s assumed to be saturated hydrocarbon in origin.

36 MATERIALS SCIENCE↗