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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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At least 433 records · Page 24

When less is more: How increasing the complexity of machine learning strategies for geothermal energy assessments may not lead toward better estimates

Previous moderate- and high-temperature geothermal resource assessments of the western United States utilized data-driven methods and expert decisions to estimate resource favorability. Although expert decisions can add confidence to the modeling process by ensuring reasonable models are employed, expert decisions also introduce human and, thereby, model bias. This bias can present a source of error that reduces the predictive performance of the models and confidence in the resulting resource estimates. Our study aims to develop robust data-driven methods with the goals of reducing bias and improving predictive ability. We present and compare nine favorability maps for geothermal resources in the western United States using data from the U.S. Geological Survey's 2008 geothermal resource assessment. Two favorability maps are created using the expert decision-dependent methods from the 2008 assessment (i.e., weight-of-evidence and logistic regression). With the same data, we then create six different favorability maps using logistic regression (without underlying expert decisions), XGBoost, and support-vector machines paired with two training strategies. The training strategies are customized to address the inherent challenges of applying machine learning to the geothermal training data, which have no negative examples and severe class imbalance. We also create another favorability map using an artificial neural network. We demonstrate that modern machine learning approaches can improve upon systems built with expert decisions. We also find that XGBoost, a non-linear algorithm, produces greater agreement with the 2008 results than linear logistic regression without expert decisions, because the expert decisions in the 2008 assessment rendered the otherwise linear approaches non-linear despite the fact that the 2008 assessment used only linear methods. The F1 scores for all approaches appear low (F1 score < 0.10), do not improve with increasing model complexity, and, therefore, indicate the fundamental limitations of the input features (i.e., training data). Until improved feature data are incorporated into the assessment process, simple non-linear algorithms (e.g., XGBoost) perform equally well or better than more complex methods (e.g., artificial neural networks) and remain easier to interpret.

15 GEOTHERMAL ENERGY↗

FLEET: Flexible Efficient Ensemble Training for Heterogeneous Deep Neural Networks

Parallel training of an ensemble of Deep Neural Networks (DNN) on a cluster of nodes is an effective approach to shorten the process of neural network architecture search and hyper-parameter tuning for a given learning task. Prior efforts have shown that data sharing, where the common preprocessing operation is shared across the DNN training pipelines, saves computational resources and improves pipeline efficiency. Data sharing strategy, however, performs poorly for a heterogeneous set of DNNs where each DNN has varying computational needs and thus different training rate and convergence speed. This paper proposes FLEET, a flexible ensemble DNN training framework for efficiently training a heterogeneous set of DNNs. We build FLEET via several technical innovations. We theoretically prove that an optimal resource allocation is NP-hard and propose a greedy algorithm to efficiently allocate resources for training each DNN with data sharing. We integrate data-parallel DNN training into ensemble training to mitigate the differences in training rates and introduce checkpointing into this context to address the issue of different convergence speeds. Experiments show that FLEET significantly improves the training efficiency of DNN ensembles without compromising the quality of the result.

Guan, Hui↗

Mapping Inquiry Tool (MapIT) Database

The Mapping Inquiry Tool (MapIT) database consists of a geodatabase and data catalog of geologic, geophysical, structural, hydrologic, and contextual data, based on the data types to support geologic carbon storage activities and other subsurface energy systems resource assessments. The database was aggregated from publicly available data across the USA from state and federal entities. The database is structured by categories including rock unit geology, boundaries, national CS datasets, geophysical data, faults and structural data, infrastructure, surface hydrology, groundwater, and more. The data described in the data catalog is also available in the Mapping Inquiry Tool (https://edx.netl.doe.gov/dataset/mapping-inquiry-tool). Version 3 of the geodatabase and data catalog have been updated as of 5/17/2024. The database was published with a limited number of layers. The Catalog V3 contains many more resources than the geodatabase, documenting all layers that will be included in MapIT, and includes links to the original sources of the data. Within the catalog, in the final column, there is information about if the file is included in the geodatabase or not. Use the links provided in the catalog to download data directly from the original source if not included in the geodatabase. Four resources are included in this submission: 1. Geodatabase 2. ReadMe file 3. Catalog of data layers and additional data resources 4. Web link to a resource describing the motivation and reviewing the content of the geodatabase - DOE NETL Carbon Storage Site Mapping Inquiry Tool Database

carbon storage↗

Integrating Applied Energy and BER Smart Data Capabilities to Develop a DOE Data Fabric for Energy-Water R&D

Focal Area(s): 1) Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization, unsupervised learning (including deep learning), and hardware-related efforts involving AI (e.g., edge computing). Science Challenge: DOE R&D, including DOE’s Basic Energy Research (BER)’s Environmental Systems Science Division (EESSD) program and DOE’s applied energy research (AER) programs (EERE, FE, and NE) are producers and consumers of Earth systems datasets. This white paper focuses on the first topic area from the call in relation to how crosscutting resources and innovations from DOE’s EESSD and AER can be brought to bear to mutual benefit and more efficient energy-water, Earth system data resources through improved. The overarching challenge posed by this call focuses on how DOE can directly leverage artificial intelligence (AI) to engineer a substantial (paradigm-changing) improvement in Earth System Predictability? While stemming from DOE BER’s EESSD program, this is a challenge that is faced and also being addressed by DOE’s AER programs. Over the past decade plus, FE, EERE, and NE programs have made important strides towards addressing this need. These strides are in many ways highly complementary to EESSD’s MODEX efforts. Energy water systems spanning metocean to groundwater to surface water systems all are data driven whether for basic energy or applied energy. These are remote, multi-variate, complex natural, and in many cases engineered, systems. Key needs and challenges of both EESSD and AER include developing data-focused tools to enhance data search and discovery to fill in knowledge gaps (address sparse data challenge), and rapidly transform datasets, including disparate and multi-source data. Leveraging DOE on-premise computing (HPC, exascale) infrastructure supports the computing-intensive algorithms required to execute these data acquisition and transformation processes to derive enriched knowledge and data, driving AI/ML and big data analytics for these systems. The opportunity lies in combining BER and AER efforts to provide a more robust, advanced, efficient and complete computing data fabric to address energy-water data acquisition and assimilation needs which currently pose significant impediments to AI/ML predictions and research.

54 ENVIRONMENTAL SCIENCES↗

Need help planning for the future of electric vehicles?

This resource provides a sampling of key U.S. Department of Energy (DOE) and national lab resources available to states and local jurisdictions to help them plan for the future of electric vehicles. In particular, these data, information, and modeling resources can help jurisdictions with community planning and developing charging infrastructure.

department of energy, DOE, electric vehicles, Volk↗

Strategies for community-sourced biocuration in bioinformatics: a case study on MIBiG 4.0

Biocuration is essential to transform molecular sequence data into standardized, machine-readable resources. Such curated datasets enable comparative analysis, predictive modeling, and data integration across bioinformatics platforms. While professional biocuration is resource-intensive and usually limited to institutional settings, community-driven approaches can mobilize large-scale annotation of specialized datasets and are more resilient to disruptions in scientific funding. Here, we present a model for community-powered curation applied to the Minimum Information about a Biosynthetic Gene Cluster (MIBiG) repository. Through a framework of workflows for metadata capture, annotation validation, and contributor coordination, the MIBiG 4.0 initiative recruited 267 scientists across 178 institutions from 33 countries, volunteering an estimated 4000 h of work. These efforts expanded the MIBiG repository by 22% and enhanced its usability in downstream molecular data analyses in comparative genomic analyses, natural product discovery, and machine learning applications. We provide strategies and actionable lessons for adopting this model, supporting the sustainability of curated bioinformatics resources central to nucleic acid research and related fields.

biocuration↗

A Versatile Simulated Data Transport Layer for in Situ Workflows Performance Evaluation

In situ processing does not only allow scientific applications to face the explosion in data volume and velocity but also to address the time constraints of many simulation-analysis workflows by providing scientists with early insights about their applications at runtime. Multiple frameworks implement the concept of a data transport layer (DTL) to enable such in situ workflows. These tools are very versatile, directly or indirectly access the data generated on the same node, another node of the same compute cluster, or a completely distinct node, and allow data publishers and subscribers to run on the same computing resources or not. This versatility puts on researchers the onus of taking key decisions related to resource allocation and how to transport data to ensure the most efficient execution of their in situ workflows. However, domain scientists and workflow practitioners lack the appropriate tools to assess the respective performance of particular design and deployment options. In this paper we introduce a versatile simulated DTL designed to provide researchers with insights on the respective performance of different execution scenarios of in situ workflows. This open-source, standalone library builds on the SimGrid toolkit and can be linked to any SimGrid-based simulator. It facilitates the evaluation of the performance behavior, at scale, of different data transport configurations and the study of the effects of resource allocation strategies. We demonstrate the scalability, versatility, and accuracy of this simulated DTL by reproducing the execution of two synthetic benchmarks and of a real-world in situ workflow composed of an MPI application and a parallel data analysis. Results of simulations run on a single core show that the proposed library can simulate the interactions of tens of thousands of simulated processes deployed on two interconnected commodity clusters in a few seconds, and the execution by a thousand simulated processes of an in situ workflow in less than three minutes.

Suter, Fred [ORNL] (ORCID:0000000319021955)↗

Toward memory-efficient melt pool monitoring: a classification framework using event-based imaging and sparse sensing technique

Vision sensors like CMOS and CCD cameras are often used for in-process monitoring of melt pools in laser-based additive and welding processes, but they require transferring large amounts of data and computational processing resources. Event-based neuromorphic imagery, on the other hand, detects only the change in pixel intensity, thus potentially reducing the data amount and latency. With an event imager, this study develops a framework for melt pool condition classification, including image construction, time scale selection, optimal pixel selection, and sparse classification, to achieve a highly memory-efficient scheme. These are based on sparse sensing techniques with singular value decomposition (SVD) and QR pivoting, the two fundamental matrix transformations for linear dimensionality reduction. The framework is then validated by classifying a controlled experiment by exciting various mode shapes of liquid gallium pools of varying depths (3, 6, and 8 mm). At 200 pixels, the classifier can reach overall accuracy of 75%, while at 2000 pixels (0.013% of the total possible pixels), the accuracy is nearly 90% (89.86%). At the same number of pixels, random selection can only achieve 46% and 67%, respectively. The memory savings of the sparsely sampled event data compared to a conventional imager is about 500 times. In addition to performance, implementation and limitations of the framework are also discussed.

42 ENGINEERING↗

Geothermal Play Fairway Analysis of Low-Temperature Resources for Sedimentary Basin Geothermal Play Types: An Example in the Denver Basin

This project is part of a nationwide effort to highlight the advantages of incorporating low-temperature geothermal resource evaluation into the implementation of combined heat and power (CHP), and geothermal direct use (GDU) technologies (e.g., space heating and/or cooling). The initiative aims to hasten the nation's decarbonization process by exploring the potential for using low-temperature geothermal resources (< 150 Degrees Celsius) in selected sedimentary basins that have several population centers. The Play Fairway Analysis (PFA) techniques were modified from earlier studies of sedimentary basin geothermal play types (SBGPTs) that assessed the viability of low-temperature resources. The decision-making process for leveraging low-temperature geothermal resources for GDU and CHP applications is complex and considers a variety of factors, including geological, economic, and risk criteria. This study covers workflows, relevant datasets, python code, and both common and composite maps used to create low-temperature geothermal resource favorability maps for the Denver Basin, which extends across Colorado, Nebraska, and Wyoming. The replication of these methodologies in other SBGPTs can evaluate potential for low-temperature resources. The proposed geothermal PFA approach for low-temperature geothermal resources includes: (1) identifying available relevant data and grouping data sets into PFA criteria (e.g., geological, economic, and risk criteria); (2) analyzing data gaps enable future focalized exploration; (3) performing uncertainty quantification; (4) weighting relevant data; (5) developing favorability and common risk maps for low-temperature geothermal resources to identify potential locations for more focused data collection. This project will facilitate future deployment of CHP and GDU by providing data, tools, and a workflow applicable to low-temperature geothermal resources in sedimentary basins.

15 GEOTHERMAL ENERGY↗

A Forward-Looking Dataset of EV Managed Charging Resource and Costs

This presentation summarizes a high-resolution, forward-looking dataset of EV adoption, EV charging, and managed charging resource. Vehicle-level data are grounded in current adoption and charging patterns, and ~200,000 real-world vehicle-weeks of travel data covering all on-road segments (i.e., light-duty, transit and school buses, local, regional and long-haul medium- and heavy-duty). The data, which include multiple charging profiles per vehicle to bound flexibility, are then processed and aggregated to describe baseline charging and charge management resource by county, hour, year, scenario, and vehicle type. Coupled with one of four scenarios of how EV managed charging costs might evolve over time, the dataset enables a power sector capacity expansion model to select cost-optimal quantities of EV managed charging and supply-side resources to reliably satisfy demand. Five integration strategies: Baseline, Daytime and Flat (passive), Flex (active), and Stress (anti-strategy), illustrate how baseline charging and flexibility potential changes with EVSE build-out and charging preferences.

33 ADVANCED PROPULSION SYSTEMS↗

Overview of the distributed image processing infrastructure to produce the Legacy Survey of Space and Time

The Vera C. Rubin Observatory is preparing to execute the most ambitious astronomical survey ever attempted, the Legacy Survey of Space and Time (LSST). Currently the final phase of construction is under way in the Chilean Andes, with the Observatory’s ten-year science mission scheduled to begin in 2025. Rubin’s 8.4-meter telescope will nightly scan the southern hemisphere collecting imagery in the wavelength range 320–1050 nm covering the entire observable sky every 4 nights using a 3.2 gigapixel camera, the largest imaging device ever built for astronomy. Automated detection and classification of celestial objects will be performed by sophisticated algorithms on high-resolution images to progressively produce an astronomical catalog eventually composed of 20 billion galaxies and 17 billion stars and their associated physical properties. In this article we present an overview of the system currently being constructed to perform data distribution as well as the annual campaigns which reprocess the entire image dataset collected since the beginning of the survey. These processing campaigns will utilize computing and storage resources provided by three Rubin data facilities (one in the US and two in Europe). Each year a Data Release will be produced and disseminated to science collaborations for use in studies comprising four main science pillars: probing dark matter and dark energy, taking inventory of solar system objects, exploring the transient optical sky and mapping the Milky Way. Also presented is the method by which we leverage some of the common tools and best practices used for management of large-scale distributed data processing projects in the high energy physics and astronomy communities. We also demonstrate how these tools and practices are utilized within the Rubin project in order to overcome the specific challenges faced by the Observatory.

79 ASTRONOMY AND ASTROPHYSICS↗

A Data-Driven Voltage Control Strategy for Distribution Grids With Distributed Energy Resources

Traditionally, distribution system control approaches have been model-based. The deployment of advanced metering infrastructure has provided electric utilities with the capability of data-driven control with real-time measurements. The shift from model-based to data-driven control represents a significant advancement in the management of distribution systems, offering a more adaptive approach to system control because of the ability to dynamically adapt to changing conditions without the need for system modeling. Here, in this paper, a behavioral data-driven control method is developed to provide voltage regulation to an actual distribution system by controlling the legacy devices and distributed energy resource (DER) assets. The studied distribution system has a load tap changer and three capacitor banks as the legacy devices and photovoltaic systems as the DERs. The performance of the proposed control algorithm is validated using a laboratory test bed setup considering multiple scenarios. The results show that the proposed control achieved 99% voltage regulation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

GeoThermalCloud: Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration and Development of Hidden Geothermal Resources

Geothermal exploration and production are challenging, expensive and risky. The GeoThermalCloud uses Machine Learning to predict the location of hidden geothermal resources. This submission includes a training dataset for the GeoThermalCloud neural network. Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources.

15 GEOTHERMAL ENERGY↗

CAFE AU LAIT: Compute-Aware Federated Augmented Low-Rank AI Training

Federated finetuning is crucial for unlocking the knowledge embedded in pretrained Large Language Models (LLMs) when data are geographically distributed across clients. Unlike finetuning with data from a single institution, federated finetuning allows collaboration across multiple institutions, enabling the utilization of diverse and decentralized datasets while preserving data privacy. Given the high computing costs of LLM training and the emphasis on energy efficiency in Federated Learning (FL), Low-Rank Adaptation (LoRA) has emerged as a widely adopted algorithm due to its significantly reduced number of trainable parameters. However, this assumes that all data silos have the necessary computing resources to compute local updates of LLMs. Nevertheless, in practice, the computing resources across clients are highly heterogeneous: while some may have access to hundreds of GPUs, others might have limited or no GPU access. Recently, federated finetuning using synthetic data has been proposed, allowing clients to participate in a collaborative training run without training LLMs locally. However, our experimental results reveal a performance gap between models trained using synthetic data and those trained using local updates. Motivated by the observed heterogeneity in computing resources and the performance gap, we propose a novel two-stage algorithm that leverages the storage and computing capabilities of a strong server. In the first stage, under the coordination of the strong server, clients with limited computing resources collaborate to generate synthetic data, which is transferred to and stored on the strong server. In the second stage, the strong server uses this synthetic data on behalf of the resource-constrained clients to perform federated LoRA finetuning alongside clients with sufficient computing resources. This approach ensures that all clients can participate in the finetuning process. Experimental results demonstrate that incorporating local updates from even a small fraction of clients improves performance compared to using synthetic data for all clients. Furthermore, we incorporate the Gaussian mechanism in both stages to guarantee client-level differential privacy.

Wang, Jiayi [ORNL]↗

Detection of surface water temperature variations of Mongolian lakes benefiting from the spatially and temporally gap-filled MODIS data

Lakes provide critical water resources for human activities and ecosystems, particularly in the Mongolian Plateau (MP), which is characterized by a dry climate and a harsh environment. As a region that is sensitive to anthropogenic warming, tracking lake surface water temperature (LSWT) changes in Mongolian lakes is crucial for understanding the consequences of a warming climate on lake ecosystems. However, the long-term monitoring of LSWT is restricted by the spatiotemporal gaps in the raw imagery of remote sensing-based land surface temperature (LST), e.g., the commonly used Moderate Resolution Imaging Spectroradiometer (MODIS) LST products. This study applied an improved gap-filling method by utilizing the discrete cosine transform-based penalized least squares (DCT-PLS) strategy in the spatial domain combined with the linear interpolation (LI) algorithm in the temporal domain. The method was applied to fill gaps in the LSWT imagery of 12 representative lakes across MP. The randomly sampled high-quality MODIS LSWT values in the spatial and temporal domains were excavated as false data gaps and considered “virtual true” validation datasets. The spatial validation results showed that the estimated LSWT for all the lake cases were comparable with the “virtual true” LSWT values, with the average values of the coefficient of determination, mean absolute error, mean square error, and root mean square error being 0.98, 0.38 °C, 0.45 °C, and 0.59 °C, respectively. Meanwhile, the error of nighttime LSWT results was relatively lower than that of daytime LSWT. For temporal interpolation validation, the LI algorithm exhibited relatively better performance and could more objectively indicate the variation in LSWT. Benefiting from the spatially and temporally well-constrained data, we analyzed the interannual and intra-annual change characteristics of the LSWTs of the 12 lakes. The long-term variations of annual and seasonal mean LSWTs in the 12 selected lakes exhibited no evident trends in 2000–2020, while presented apparent interannual fluctuations. The slight changes in the average LSWTs of the 12 selected lakes were in excellent synchronization with the surrounding LST derived from the reanalysis datasets, confirming the widely reported phenomenon of “global warming hiatus” that occurred in the early 21st century. This study improves the understanding of the LSWT variations in Mongolian lakes in response to global climate change. It has the potential to provide an effective approach for monitoring LSWT changes in other large-scale studies.

54 ENVIRONMENTAL SCIENCES↗

CMIP7 data request: Earth system priorities and opportunities

This paper presents a comprehensive overview of the Coupled Model Intercomparison Project Phase 7 (CMIP7) request for data pertaining to Earth systems science, and provides justification for the resources needed to produce this data. Topics within the CMIP7 Earth System (CMIP7-ES) theme centre around tracking of flows of energy, carbon, water and other fluxes across domains, and constraining feedbacks between these cycles and the climate system. These topics are summarized in this paper as scientific “opportunities” describing specific model intercomparison experiments and use cases for next-generation Earth System Model (ESM) output. These opportunities were submitted by modelling groups and scientific consortia following an extended public consultation process. Contained within each opportunity are requests for groups of Climate & Forecasting (CF) variables, which are bundled into variable groups representing all data required to address the opportunities' needs. Novel opportunities in CMIP7 compared with previous phases will include running `emissions-driven' simulations that integrate carbon emissions and removal scenarios with updated representations of the global carbon cycle, expanded variable groups needed to model marine trophic interactions and biogeochemistry, and data needed to understand the risk of global tipping points, among others. The production of these variables will close key gaps and uncertainties identified during previous rounds of CMIP, and support the 7th Intergovernmental Panel on Climate Change Assessment Report (AR7). We argue that CMIP7-ES data will be broadly used by scientific, policy, governmental, industry, and other communities that rely on climate model projections for research and decision making. As an author group we also reflect on the evolution of the CMIP7-ES data request as a part of a deliberative process in support of the global CMIP program.

54 ENVIRONMENTAL SCIENCES↗

EverGREEN 2045: An Energy mix to Decarbonize Washington State

The Clean Energy Transformation Act transitions Washington State to 100% clean energy by 2045. As the future resource mix will likely include intermittent renewables, hydropower, and new, carbon-free, flexible technologies including advanced nuclear reactors and enhanced geothermal systems, we assess the cost and feasibility of the future resource mix with proprietary cost data from our industry partners for new technologies. For plausible future resource mix scenarios, we find that revenues are sufficient to cover variable operations and maintenance costs for most technologies, but capacity payments or power purchase agreements will be necessary for new, flexible resources to participate in the future resource mix.

clean energy, energy policy, energy transition, re↗

Accelerated data-driven materials science with the Materials Project

The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.

Horton, Matthew K↗