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DOE OSTI2026

Spatiotemporal Dynamics of the Relative Abundance of Soil Nutrient‐Degrading Enzyme‐Encoding Genes Across Continental US Ecoregions

Understanding the spatiotemporal patterns in the relative abundance of soil extracellular enzyme‐encoding genes is critical for predicting microbial responses to environmental change and their potential role in nutrient cycling. Yet, integrating novel metagenomic observations with spatiotemporal environmental gradients to infer regional patterns and future trajectories has remained unclear. To address this gap, we applied a machine learning (ML) approach, integrating soil metagenomic data with environmental variables—soil properties, topography, vegetation, and climate—to predict the relative abundance of enzyme‐encoding genes for soil carbon (C), nitrogen (N), and phosphorus (P) across surface soils of the continental United States. We assessed potential responses under future emission scenarios (SSP2‐4.5 and SSP5‐8.5) by comparing a baseline (1985–2014) to a future period (2071–2100). The ML model explained 57%–63% of baseline variation. Precipitation was identified as the most influential factor for the relative abundance of C‐ and N‐degrading enzyme‐encoding genes, while slope length, representing horizontal distance that water can travel downslope, was the primary driver for P‐degrading enzyme‐encoding genes abundance. Projections revealed spatially heterogeneous shifts across continental US ecoregions: the relative abundance of C‐ and N‐degrading enzyme‐encoding genes decreased in wetter ecoregions and increased in drier ecoregions under future climate, while P‐degrading enzyme‐encoding genes abundance decreased significantly in semiarid and Mediterranean ecoregions. This study demonstrates the utility of metagenomic data for mapping soil genetic potential and predicting its regional response to environmental change, to inform ecosystem management strategies.

extracellular enzyme-encoding genes↗

NASA NTRSDate not supplied

Global Landslide Hazard Assessment for Situational Awareness (LHASA) Version 2: New Activities and Future Plans

A remote sensing-based system has been developed to characterize the potential for rainfall-triggered landslides across the globe in near real-time. The Landslide Hazard Assessment for Situational Awareness (LHASA) model uses a decision tree framework to combine a static susceptibility map derived from information on slope, rock characteristics, forest loss, distance to fault zones and distance to road networks with satellite precipitation estimates from the Global Precipitation Measurement (GPM) mission. Since 2016, the LHASA model has been providing near real-time and retrospective estimates of potential landslide activity. Results of this work are available at https://landslides.nasa.gov. In order to advance LHASA’s capabilities to characterize landslide hazards and impacts dynamically, we have implemented a new approach that leverages machine learning, new parameters, and new inventories. LHASA 2.0 uses the XGBoost machine learning model to bring in dynamic variables as well as additional static variables to better represent landslide hazard globally. Global rainfall forecasts are also being evaluated to provide a 1-3 day forecast of potential landslide activity. Additional factors such as recent seismicity and burned areas are also being considered to represent the preconditioning or changing interactions with subsequent rainfall over affected areas. A series of parameters are being tested within this structure using NASA’s Global Landslide Catalog as well as many other event-based and multi-temporal inventories mapped by the project team or provided by project partners. In addition to estimates of landslide hazard, LHASA Version 2 will incorporate dynamic estimates of exposure including population, roads and infrastructure to highlight the potential impacts that rainfall-triggered landslides. The ultimate goal of LHASA Version 2.0 is to approximate the relative probabilities of landslide hazard and exposure across different space and time scales to inform hazard assessment retrospectively over the past 20 years, in near real-time, and in the future. In addition to the hazard. This presentation will outline the new activities for LHASA Version 2.0 and present some next steps for this system.

Dalia Kirschbaum↗

NASA NTRS2019

Evaluation of Technology Concepts for Traffic Data Management and Relevant Audio for Datalink in Commercial Airline Flight Decks

Datalink is currently operational for departure clearances and in oceanic environments and is currently being tested in high altitude domestic enroute airspace. Interaction with even simple datalink clearances may create more workload for flight crews than the voice system they replace if not carefully designed. Datalink may also introduce additional complexity for flight crews with hundreds of uplink messages now defined for use. Finally, flight crews may lose airspace awareness and operationally relevant information that they normally pickup from Air Traffic Control (ATC) voice communications with other aircraft (i.e., “party-line” transmissions). Once again, automation may be poised to increase workload on the flight deck for incremental benefit. Datalink implementation to support future air traffic management concepts needs to be carefully considered, understanding human communication norms and especially, the change from voice- to text-based communications modality and its effect on pilot workload and situation awareness. Increasingly autonomous systems, where autonomy is designed to support human-autonomy teaming, may be suited to solve these issues. NASA is conducting research and development of increasingly autonomous systems, utilizing machine-learning algorithms seamlessly integrated with humans whereby task performance of the combined system is significantly greater than the individual components. Increasingly autonomous systems offer the potential for significantly improved levels of performance and safety that are superior to either human or automation alone. Two increasingly autonomous systems concepts - a traffic data manager and a conversational co-pilot - were developed to intelligently address the datalink issues in a complex, future state environment with significant levels of traffic. The system was tested for suitability of datalink usage for terminal airspace. The traffic data manager allowed for automated declutter of the Automatic Dependent Surveillance-Broadcast (ADS-B) display. The system determined relevant traffic for display based on machine learning algorithms trained by experienced human pilot behaviors. The conversational co-pilot provided relevant audio air traffic control messages based on context and proximity to ownship. Both systems made use of the connected aircraft concepts to provide intelligent context to determine relevancy above and beyond proximity to ownship. A human-in-the-loop test was conducted in NASA Langley Research Center’s Integration Flight Deck B-737-800 simulator to evaluate the traffic data manager and the conversational co-pilot. Twelve airline crews flew various normal and non-normal procedures and their actions and performance were recorded in response to the procedural events. This paper details the flight crew performance and evaluation during the events.

Etherington, Timothy↗

DOE OSTI2026

Hydropower potential derived from streamflow extremes for Alaska, USA

Alaska is an expansive region known for its abundant natural resources, including thousands of miles of streams and rivers. These rivers represent potential opportunities for future hydropower development that could provide reliable energy supply for local communities. There is limited long-term high temporal resolution streamflow data available for the region, making data-driven estimates of potential hydropower and its variability across the state challenging. This study provides a novel data-driven approach for hydropower capacity estimation across Alaska. We use supervised machine learning to develop a relationship between the daily and peak flow duration curves in order to augment the size of our dataset from 44 sites to 67 sites. We perform a stochastic hydropower estimation across the 67 sites and identify approximately 1000 MW of total potential hydropower capacity distributed across these sites. Our study provides the first step towards more comprehensive hydropower estimation for this critical region, highlighting the need for future work integrating high-resolution spatial data, community needs, and economic constraints in estimates of potential hydropower development in Alaska.

Hydropower↗

DOE OSTI2020

Critical Infrastructure Classification via CNN-based Modeling and Image Analysis

With recent advances in the fields of satellite imagery and machine learning we now have the ability to develop explainable deep learning models that enhance critical infrastructure analysis. Funded through Idaho National Laboratory’s (INL) Laboratory Directed Research and Development (LDRD) office we are in the process of developing a deep learning model capable of identifying critical infrastructure facilities and embedded features within those facilities. Utilizing current limit of practice techniques in the machine learning areas of explainability and transfer learning our model, once complete, will have the capacity to be used on multiple different imagery data sets and produce results that not only classify critical infrastructure facilities, but also explain why a critical infrastructure facility was classified as a certain type of facility. These advancements eliminate the ‘black box’ approach deep learning models have had in the past, where a user will have to trust the conclusion of a model without understanding what reasoning when into the model’s classification process. They also expand a model’s usefulness, traditionally a deep learning model will have to use the same data set it was originally trained on. Given the long training times of deep learning models this is impractical in a number of scenarios. By utilizing transfer learning advancements, we are eliminating the need to train our model on the same data set it is then run on to classify critical infrastructure facilities. We are also enabling the analysis and classification of data sets that are potentially too small to be divided into a training and testing data set. Once completed this model can provide a foundation to enhanced critical infrastructure analysis, dependency analysis, and potential disaster relief efforts.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

A data analysis method to rapidly characterize gallium concentration in plutonium matrices using LIBS

The processing of actinide samples is a complex and costly endeavor that requires compositional analysis at various stages. Laser-induced breakdown spectroscopy (LIBS) has been used to analyze actinide-containing samples in many nuclear applications including waste management, fuel processing and forensics. The LIBS spectrum obtained from actinide materials are generally extremely complex, exhibiting many thousands of strong emission lines. This makes it difficult to identify other elements within the sample of interest, given the rich and dominant actinide spectrum. Here, in this article, we describe a recent effort to identify and quantify impurities and alloying constituents in plutonium matrices using a hand-held LIBS instrument that is used to rapidly and efficiently measure an emission spectrum from a material sample. We tabulate the emission line positions and intensities of plutonium. We report the development of machine-learning software that can identify gallium and quantify its concentration in plutonium matrices. This work has the potential to provide a rapid and nearly non-destructive technique that allows more confidence in characterizing the composition of materials that are present within complex actinide associated targets. We describe how our LIBS measurements and data analysis methods have successfully quantified the gallium concentration in a variety of samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Fiber optic computing using distributed feedback

Abstract The widespread adoption of machine learning and other matrix intensive computing algorithms has renewed interest in analog optical computing, which has the potential to perform large-scale matrix multiplications with superior energy scaling and lower latency than digital electronics. However, most optical techniques rely on spatial multiplexing, requiring a large number of modulators and detectors, and are typically restricted to performing a single kernel convolution operation per layer. Here, we introduce a fiber-optic computing architecture based on temporal multiplexing and distributed feedback that performs multiple convolutions on the input data in a single layer. Using Rayleigh backscattering in standard single mode fiber, we show that this technique can efficiently apply a series of random nonlinear projections to the input data, facilitating a variety of computing tasks. The approach enables efficient energy scaling with orders of magnitude lower power consumption than GPUs, while maintaining low latency and high data-throughput.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Elucidating and predicting the dynamic evolution of water and land systems due to natural and energy-related forcings

Focal Area(s): 3. Insight gleaned from complex data (both observed and simulated) using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge-guided AI; & 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: Interactions between water, land, and energy systems are complex and occur on a variety of scales, ranging from local to basinal to regional. Accurately predicting the behavior of ground water and surface water systems for 5-10 years and beyond requires an understanding of the current system and the ability to model both the natural system at scale and human-induced forcings related to energy and other activities. Artificial intelligence and machine learning (AI/ML) combined with modern compilation and integration efforts for U.S. groundwater and surface water systems present potential solutions to bolstering detailed physics-based models of these systems. Big data tied with ML and physics-based modeling can drive breakthroughs in understanding the earth system, but research is often impeded by data access (e.g., privacy issues), quality, formats, gaps, multi-source, multi-scale, integration, and spatiotemporal challenges. Effective integration of real data and simulated (synthetic) data that fill gaps is critical. Overcoming these complex data and model integration challenges will enable a transformational approach to acquiring enhanced understanding of environmental systems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Fracture Networks Imaging in CO2 Injection Zones in IBDP Site: An Unsupervised Machine Learning Application with Multiple Datasets

Poster presented at the 17th International Conference on Greenhouse Gas Control Technologies GHGT-17 held in Calgary, Canada, October 20-24, 2024. This poster highlights the integration of unsupervised machine learning (ML) techniques as a transformative tool for advancing understanding of CO2 injection into reservoirs that could potentially contribute to optimizing injection strategies and reservoir management, ultimately bolstering the efficacy and sustainability of CO2 storage.

Kumar, Abhash↗

NASA NTRS2018

Applying Machine Learning to Jet Noise Prediction

This presentation summarizes the application of machine learning to jet noise data in an effort to predict the resulting noise from the interaction between a jet and a hard surface. The Aero-Acoustic Propulsion Laboratory at the NASA Glenn Research Center has acquired the noise resulting from the interaction between a jet and metal plate over a range of surface placements (e.g. plate lengths and positions) and a range of jet flow configurations. For each configuration, the noise was measured at 24 observer locations via a microphone array centered around the jet nozzle. An artificial neural network developed with Keras and TensorFlow was trained on the data to predict an 88-band spectrum as a function of surface placement, jet conditions, and observer location. Analysis of the machine learning models provide insight into which experimental parameters contribute more to the noise and which parameters could potentially be removed entirely to simplify future experiments. Preliminary results will be discussed and presented via a live demonstration of the software, which outputs a sound spectrum in real-time with user-inputted jet-surface configurations.

Dowdall, Jonny↗

DOE OSTI2022

Matrix Multiply Performance of GPUs on Exascale-class HPE/Cray Systems

The computation of dense matrix-matrix products (GEMMs) is central to many modeling and simulation workloads as well as AI/ML deep learning campaigns. In fact, millions of dollars are spent annually on computing GEMMs, and large model training demands are increasing exponentially. Specialized processors such as GPUs are designed to perform well for these operations. However, the performance of GEMMs on GPUs can exhibit complex behaviors depending on many factors, making it challenging to optimize the performance of GEMMs on these processors. In this study we undertake an examination of GEMM performance on several leading GPU models taken from product lines of GPUs to be deployed in forthcoming exascale computing systems. We show results to illustrate the many factors that can affect performance of GEMMs on GPUs. We then present data collected from a large number of test runs for an example GEMM operation to show the dependence behaviors of GEMM rate on matrix dimensions. Finally, we show results from machine learning-based performance models using novel feature engineering methods to fit the measured performance, providing a potential basis for GEMM performance tuning and autotuning methods for GPUs. Recommendations are also given for how to achieve high GEMM performance on modern GPUs.

Melesse Vergara, Veronica↗

DOE OSTI2024

Fracture Networks Imaging in CO2 Injection Zones in IBDP Site: An Unsupervised Machine Learning Application with Multiple Datasets

This is the conference paper accompanying a poster presentation at the 17th International Conference on Greenhouse Gas Control Technologies GHGT-17 held in Calgary, Canada, October 20-24 , 2024. This work highlights the integration of unsupervised machine learning (ML) techniques as a transformative tool for advancing understanding of CO2 injection into reservoirs that could potentially contribute to optimizing injection strategies and reservoir management, ultimately bolstering the efficacy and sustainability of CO2 storage.

Kumar, Abhash↗

DOE OSTI2020

Cyclotron radiation emission spectroscopy signal classification with machine learning in project 8

The Cyclotron Radiation Emission Spectroscopy (CRES) technique pioneered by Project 8 measures cyclotron radiation from individual electrons in a background magnetic field to construct a highly precise energy spectrum for beta decay studies and other applications. The detector, magnetic trap geometry, and electron dynamics give rise to a multitude of complex electron signal structures which carry information about distinguishing physical traits. Here, we develop machine learning models to classify CRES signals with high accuracy based on these traits, improve the resultant frequency spectrum, and offer the potential for a sophisticated analysis which will help Project 8 achieve tritium endpoint measurement in the future.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Machine Learning Framework for Conotoxin Class and Molecular Target Prediction

Conotoxins are small and highly potent neurotoxic peptides derived from the venom of marine cone snails which have captured the interest of the scientific community due to their pharmacological potential. These toxins display significant sequence and structure diversity, which results in a wide range of specificities for several different ion channels and receptors. Despite the recognized importance of these compounds, our ability to determine their binding targets and toxicities remains a significant challenge. Predicting the target receptors of conotoxins, based solely on their amino acid sequence, remains a challenge due to the intricate relationships between structure, function, target specificity, and the significant conformational heterogeneity observed in conotoxins with the same primary sequence. We have previously demonstrated that the inclusion of post-translational modifications, collisional cross sections values, and other structural features, when added to the standard primary sequence features, improves the prediction accuracy of conotoxins against non-toxic and other toxic peptides across varied datasets and several different commonly used machine learning classifiers. Here, we present the effects of these features on conotoxin class and molecular target predictions, in particular, predicting conotoxins that bind to nicotinic acetylcholine receptors (nAChRs). We also demonstrate the use of the Synthetic Minority Oversampling Technique (SMOTE)-Tomek in balancing the datasets while simultaneously making the different classes more distinct by reducing the number of ambiguous samples which nearly overlap between the classes. In predicting the alpha, mu, and omega conotoxin classes, the SMOTE-Tomek PCA PLR model, using the combination of the SS and P feature sets establishes the best performance with an overall accuracy (OA) of 95.95%, with an average accuracy (AA) of 93.04%, and an f1 score of 0.959. Using this model, we obtained sensitivities of 98.98%, 89.66%, and 90.48% when predicting alpha, mu, and omega conotoxin classes, respectively. Similarly, in predicting conotoxins that bind to nAChRs, the SMOTE-Tomek PCA SVM model, which used the collisional cross sections (CCSs) and the P feature sets, demonstrated the highest performance with 91.3% OA, 91.32% AA, and an f1 score of 0.9131. The sensitivity when predicting conotoxins that bind to nAChRs is 91.46% with a 91.18% sensitivity when predicting conotoxins that do not bind to nAChRs.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Artificial Intelligence and Machine Learning Applications in Modern Power Systems

Machine learning (ML) and artificial intelligence (AI) algorithms offer valuable tools for the analysis and interpretation of large datasets. These tools have the capability to uncover insights that may not be readily apparent within these datasets. In recent years, the integration of ML and AI has become increasingly prevalent in various applications within the power system domain. One of the earliest instances of machine learning in power systems can be traced back to demand forecasting, where artificial neural networks were employed for short-term load forecasting. In contemporary power systems, an abundance of high-resolution geospatial and temporal data is generated at various time intervals, ranging from sub-seconds (Phasor Measurement Units or PMUs) to seconds (Supervisory Control and Data Acquisition or SCADA), minutes (Process Information or PI), and extending to days, months, and years. These datasets contain valuable information concerning system reliability and performance. This information holds the potential to offer critical insights into system operations, as well as solutions for predicting and mitigating contingencies to prevent cascading outages. Despite the immense power of machine learning tools, system operators, planners, and utilities often exhibit hesitancy in fully embracing AI-enabled system operations and planning. This cautious approach persists, even as numerous diverse applications of machine learning continue to emerge in the realm of power systems. In this chapter, our focus will delve deep into ML and AI applications tailored for power systems. These applications aim to furnish system operators with enhanced situational awareness and augment their decision-making capabilities, especially during challenging operating conditions. Specific areas of interest encompass root cause analyses of electricity market datasets and the strategic selection of representative samples from vast power system databases for training ML/AI models. Finally, the chapter will conclude with a short discussion on the future of ML/AI in power systems and possible directions that the industry is moving towards.

power system applications, machine learning (ML), ↗

DOE OSTI2021

Arrested Phase Separation in Double-Exchange Models: Large-Scale Simulation Enabled by Machine Learning

In this work, we present large-scale dynamical simulations of electronic phase separation in the single-band double-exchange model based on deep-learning neural-network potentials trained from small-size exact diagonalization solutions. We uncover an intriguing correlation-induced freezing behavior as doped holes are segregated from half filled insulating background during equilibration. While the aggregation of holes is stabilized by the formation of ferromagnetic clusters through Hund’s coupling between charge carriers and local magnetic moments, this stabilization also creates confining potentials for holes when antiferromagnetic spin-spin correlation is well developed in the background. The dramatically reduced mobility of the self-trapped holes prematurely disrupts further growth of the ferromagnetic clusters, leading to an arrested phase separation. Implications of our findings for phase separation dynamics in materials that exhibit colossal magnetoresistance effect are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Accurate and Timely Forecasts of Geologic Carbon Storage using Machine Learning Methods

Carbon capture and storage is one strategy to reduce greenhouse gas emissions. One approach to storing the captured CO2 is to inject it into deep saline aquifers. However, dynamics of the injected CO2 plume is uncertain and the potential for leakage back to the atmosphere must be assessed. Thus, accurate and timely forecasts of CO2 storage via real-time measurements integration becomes very crucial. This study proposes a learning-based, inverse-free prediction method that can accurately and rapidly forecast CO2 movement and distribution with uncertainty quantification based on limited simulation and observation data. The machine learning techniques include dimension reduction, multivariate data analysis, and Bayesian learning. The outcome is expected to provide CO2 storage site operators with an effective tool for real-time decision making.

Lu, Dan↗

DOE OSTI2023

Using electronic health record metadata to predict housing instability amongst veterans

Housing instability is considered a significant life stressor and preemptive screening should be applied to identify those at risk for homelessness as early as possible so that they can be targeted for specialized care. We developed models to classify patient outcomes for an established VA Homelessness Screening Clinical Reminder (HSCR), which identifies housing instability, in the two months prior to its administration. Logistic Regression and Random Forest models were fit to classify responses using the last 18 months of document activity. We measure concentration of risk across stratifications of predicted probability and observe an enriched likelihood of finding confirmed false negative responses from veterans with diagnosed housing instability. Positive responses were 34 times more likely to be detected within the top 1 % of patients predicted at risk than from those randomly selected. There is a 1 in 4 chance of detecting false negatives within the top 1 % of predicted risk. Machine learning methods can classify between episodes of housing instability using a data-driven approach that does not rely on variables curated from domain experts. This method has the potential to improve clinicians’ ability to identify veterans who are experiencing housing instability but are not captured by HSCR.

60 APPLIED LIFE SCIENCES↗