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DOE OSTI2019

Physics-Guided Deep Learning for Time-Series State Estimation Against False Data Injection Attacks

The modern power grid is a cyber-physical system. While the grid is becoming more intelligent with emerging sensing and communication techniques, new vulnerabilities are introduced and cyber security becomes a major concern. One type of cyber-attacks - False Data Injection Attacks (FDIAs) - exploits the limitations in traditional power system state estimation, and modifies system states without being detected. In this paper, we propose a physics-guided deep learning (PGDL) approach to defend against FDIAs. The PGDL takes real-time measurements as inputs to neural networks, outputs the estimated states, and reconstructs measurements considering power system physics. A deep recurrent neural network - Long Short-Term Memory (LSTM) - is employed to learn the temporal correlations among states. This hybrid learning model leads to a time-series state estimation method to defend against FDIAs. The simulation results using IEEE 14-bus test system demonstrate the accuracy and robustness of the proposed time-series state estimation under FDIAs.

Cyber security, state estimation, physics-guided d↗

DOE OSTI2023

The globus compute dataset: An open function-as-a-service dataset from the edge to the cloud

Here we present a unique function-as-a-service (FaaS) dataset capturing the use of the Globus Compute (previously funcX) platform. Globus Compute implements a federated model via which users may deploy endpoints on arbitrary remote computers, from the edge to high performance computing (HPC) cluster, and they may then invoke Python functions on those endpoints via a reliable cloud -hosted service. The dataset covers 31 weeks and includes 2121472 task submissions from 252 users executed on 580 remote computing endpoints. It includes 277386 registered functions. We describe the dataset and various observations, some that are similar to other FaaS datasets, for example, that 74% of tasks run for less than 1 s, and some that are unique to Globus Compute, for example, that endpoints are used in different ways and that the majority of functions are related to scientific computing and machine learning. To the best of our knowledge, this dataset represents the first federated FaaS dataset that includes user workloads, distributed computing endpoints, and analysis of registered function bodies. We expect the dataset to be useful for researching FaaS architectures, workload modeling, container warming, and other distributed computing architectures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

The Illumination of Thunderclouds by Lightning: 4. Volumetric Thunderstorm Imagery

Optical instruments such as the Geostationary Lightning Mapper (GLM) detect lightning based on transient changes in cloud illumination. The horizontal location of lightning is determined from the coordinates of the pixels on the imaging array illuminated during the flash. However, the vertical position of the lightning pulses (approximated by GLM “groups”) below the cloud top cannot be routinely measured from a single space-based instrument. In our prior work, we have developed a machine learning algorithm that can infer optical source altitude for a given pulse based on how the optical energy is distributed across the group footprint and the local Advanced Baseline Imager Cloud-Top Height (CTH). In this fourth part of our thundercloud illumination study, we leverage these source altitudes to generate volumetric GLM imagery of a Colombia thunderstorm. We find that 3D versions of the current GLM meteorological imagery products (that describe thunderstorm kinematics) and thundercloud imagery products (that depict how the flashes appear from space) provide additional insights into lightning activity in the thunderstorm that are lost in the vertical integration used to generate the current 2D GLM gridded products. This new volumetric imaging capability provides a more comprehensive picture of where lightning occurs in the storm, how its physical characteristics vary across three-dimensional space, and how its optical emissions interact with surrounding the cloud medium.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Agricultural practices influence soil microbiome assembly and interactions at different depths identified by machine learning

Agricultural practices affect soil microbes which are critical to soil health and sustainable agriculture. To understand prokaryotic and fungal assembly under agricultural practices, we use machine learning-based methods. We show that fertility source is the most pronounced factor for microbial assembly especially for fungi, and its effect decreases with soil depths. Fertility source also shapes microbial co-occurrence patterns revealed by machine learning, leading to fungi-dominated modules sensitive to fertility down to 30 cm depth. Tillage affects soil microbiomes at 0-20 cm depth, enhancing dispersal and stochastic processes but potentially jeopardizing microbial interactions. Cover crop effects are less pronounced and lack depth-dependent patterns. Machine learning reveals that the impact of agricultural practices on microbial communities is multifaceted and highlights the role of fertility source over the soil depth. Machine learning overcomes the linear limitations of traditional methods and offers enhanced insights into the mechanisms underlying microbial assembly and distributions in agriculture soils.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Designing for cooperative grain boundary segregation in multicomponent alloys

Tailoring the nanoscale distribution of chemical species at grain boundaries is a powerful method to dramatically influence the properties of polycrystalline materials. However, classical approaches to the problem have tacitly assumed that only competition is possible between solute species. In this paper, we show that solute elements can cooperate in the way they segregate to grain boundaries: In properly targeted alloys, the different chemical species cooperate to each fill complementary grain boundary sites disfavored by the other. By developing a theoretical “spectral” approach to this problem based on quantum-accurate grain boundary site distributions, we show how grain boundaries can be cooperatively alloyed, whether by depletion or enrichment. We provide machine-learned cosegregation information for over 700 ternary aluminum-based alloys and experimentally validate the concept in one ternary alloy where cosegregation is not expected by prior models but is expected based on the cooperative model.

grain boundaries↗

DOE OSTI2025

Using Artificial Intelligence to Improve Reliability and Operational Efficiency of Small-Scale Hydroelectric Distributed Generation

Reliability and resilience are critical concerns for distributed generation (DG) at the rural electric level. The integration of renewable energy sources, such as small-scale hydroelectric distributed generators (hydro DGs), introduces operational challenges, particularly regarding aging infrastructure and grid stability. Artificial Intelligence (AI)-driven Machine Learning (ML) models and applications of Large Language Models (LLMs) offer promising solutions for optimizing DG operations and enhancing resilience. This paper explores AI-based models for improving efficiency, fault resolution, and outage mitigation in small-scale hydro DGs. Furthermore, it highlights the development of a centralized, AI-powered information portal for rural electric cooperatives and municipalities. The research evaluates hydro DG plant models and discusses the applicability of AI-powered question-answering tools for real-time operations, focusing on statistical data, load flow, voltage regulation, and generation power. The findings demonstrate AI’s potential to transform DG management to ensure greater stability and resilience in rural electric grids.

Bhattacharyya, Arjun [ORNL] (ORCID:000900060976046↗

DOE OSTI2021

A Machine Learning-based Reliability Evaluation Model for Integrated Power-Gas Systems

This article proposes a hybrid machine learning method for the reliability evaluation of integrated power-gas systems (IPGS) under the uncertain component failure probability distributions. The Random Forest (RF) method is designed to select important features to solve the insufficient quantity of data and the curse of dimensionality problems. The Extreme Gradient Boosting (XGBoost) regression algorithm is developed to quantify the relationship between the uncertain parameters and reliability metrics. Moreover, a ten-fold cross-validation method is employed to further improve the accuracy of the regression model. Simulation results on three test systems show that the proposed method can achieve high accuracy for the reliability evaluation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

UFNet: Joint U-Net and Fully Connected Neural Network to Bias Correct Precipitation Predictions from

Paper information. Shuang Yu, Indrasis Chakraborty, Gemma J. Anderson, Donald D. Lucas, Yannic Lops, and Daniel Galea. UFNet: Joint U-Net and fully connected neural network to bias correct precipitation predictions from climate models. Artificial Intelligence for the Earth Systems, 2024. Overview. This work develops the UFNet methodology to correct E3SM historical precipitation projection bias. The UFNet deep learning framework consists of a two-part architecture: a U-Net convolutional network to capture the spatiotemporal distribution of precipitation and a fully connected network to capture the distribution of higher-order statistics. The joint network, termed UFNet, can simultaneously improve the spatial structure of the modeled precipitation and capture the distribution of extreme precipitation values. Below we provide guidance for applying UFNet to correct the Energy Exascale Earth System Model (E3SM; Golaz et al. 2019) daily precipitation projection over the contiguous United States (CONUS). Getting started 1. Obtain the historical climate simulation and observation data. The E3SM historical simulation data are available through https://aims2.llnl.gov/search/cmip6/. The CPC unified gauge-based analysis of daily precipitation can be found through https://psl.noaa.gov/data/gridded/data.cpc.globalprecip.html. The ECMWF atmospheric reanalysis of the 20th century (ERA-20C) data are available through https://www.ecmwf.int/en/forecasts/datasets/reanalysis-datasets/era-20c. The spatial resolution of E3SM and observed datasets are both regridded to a common 1° resolution grid using conservative interpolation. The regridded E3SM, CPC and ERA-20C with 1° resolution can be found throught ./data/. 2. Train the fully connected network (DNN) Python train_dnn.py 3. Train the UFNet Python train_ufnet.py 4. Evaluation and compared with the baseline Python evaluation.py

Lucas, DonaldD↗

DOE OSTI2018

Selection of ν μ Events for the MicroBooNE Deep Learning Low Energy Excess Analysis

MicroBooNE is a large liquid argon time projection chamber (LArTPC) on Fermilab’s Booster Neutrino Beam (BNB). A main goal of MicroBooNE is to search for the low energy excess (LEE) of electron like events seen by MiniBooNE. Using ν μ interactions to constrain ν e systematics is a common approach in oscillation experiments, we will adopt it here as well. This takes adantage of the high statistics ν μ data and known correlations between electron and muon neutrino fluxes and cross sections. This note provides an overview of the selection of events with one reconstructed muon and one reconstructed proton in (µ1p) in MicroBooNE using a Deep Learning based reconstruction. We then present comparisons between data on our simulated neutrino interaction predictions for some important kinematic distributions. We find that in a sample of data corresponding to 4× 10 19 POT, that the data and simulation agree well in shape.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Use Machine Learning to Improve Burnup Measurement in Pebble Bed Reactors

Advanced pebble bed reactor (PBR) designs post new challenges in material control and accountancy (MC&A) because the fuel materials, distributed in many discrete pebbles, are continuously circulated through the reactor core and the refueling path compared to the bulk fuel assembly design in conventional reactors, e.g., light water reactors. In pebble bed reactors, there are hundreds of thousands of fuel pebbles in the reactor core during the normal operation, and the burnup of each pebble is measured when ejected from the core. Accurate burnup measurement is an important step in material control and spent fuel disposition. The measurement is usually based on detection of radiation signatures of fission products accumulated in the pebble fuel over irradiation in the core. Previous research has shown that height of photopeaks of fission products, such as 134 Cs, 137 Cs, 154 Eu, etc., can be used independently or in combination to infer or predict the level of burnup in the fuel. However, it remains challenging to measure such complex sources due to self-shielding effects, strong radiation background and intervening materials. Another operational challenge is the required high throughput of pebbles undergoing burnup measurement, which necessitates limited measurement time and thus impacts quality of measured gamma-ray spectra. Hence, advanced spectral analysis methods are needed to analyze the noisy gamma spectra and predict the burnup values.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2026

torch-einshard v1.0

torch-einshard is a Python library for describing local and distributed PyTorch tensor computations with compact, einsum-like notation. Its expressions name logical axes, specify how they are sharded across a PyTorch DeviceMesh, and represent partial reductions. The library automatically performs contractions, permutations, reshaping, splitting, gathering, reduction, reduce-scatter, and repartitioning while preserving autograd. Additional features include sharding-aware FFTs, tensor rolls, halo exchange, sliding windows, 1D–3D convolutions, uneven-shard handling, parameter initialization and gradient management, and cost-based execution planning. It is designed for scientific machine learning and large-model workloads, including tensor-, sequence-, and spatial-parallel MLPs, attention, convolutions, and spectral operations. Compared with manually combining torch.einsum and distributed collectives, torch-einshard expresses both the mathematical operation and data placement in one readable formula. This reduces boilerplate and synchronization errors, keeps forward and backward communication consistent, and allows the library to select optimized collective strategies without changing model code.

Morozov, Dmitriy [Lawrence Berkeley National Labor↗

DOE OSTI2021

Anomaly Detection, Localization and Classification using Drifting Synchrophasor Data Streams

With ongoing automation and digitization of the electric power system, several Phasor Measurement Units(PMUs) have been deployed for monitoring and control. PMU data can have multiple anomalies, and many of the researchers in the past have concentrated on training machine/deep learning algorithms offline for anomaly detection over PMU data (i.e., not in real time). These machine/deep learning algorithms, when trained offline on a sample rather than a population of the dataset, fail to consider the dynamic behavior of the power grid in real-time, resulting in low accuracy. Considering the dynamic behavior of the power grid (e.g., change in load, generation, distributed energy resources (DERs) switching, network, controls), the definition of data anomalies varies in time and requires online training. A fundamental challenge is to enable online (i.e., real-time) training of machine/deep learning algorithms for anomaly detection over streaming PMU data. While machine/deep learning is often desirable to manage data streams, training a deep learning algorithm over streaming PMU data is nontrivial due to changes in data statistics caused by dynamic streaming data. This paper proposes PMUNET: a novel device-level deep learning-based data-driven approach for anomaly detection, localization, and classification over streaming PMU data, using online learning and multivariate data-drift detection algorithm .Two variants of PMUNET, Dynamic data Change Driven Learning (DCDL) and Continuity Driven Learning (CDL), are proposed and compared. DCDL aims to train the deep learning algorithm whenever the definition of anomaly changes due to the power grid dynamics. On the other hand, CDL continuously trains the deep learning algorithm over the PMU data-stream. The experimental results verify that DCDL outperforms CDL and other efficient anomaly detection methods over multiple events such as faults and load/ generator/capacitor/DERs variations/switching for IEEE 14 and 39 Bus test system as well as real PMU industrial data. The result verifies that DCDL variant of PMUNET improves over existing approach with a gain of 2% - 10% in terms of accuracy, false-positive rate, and false-negative rate.

adversarial deep learning↗

DOE OSTI2018

A Study of Clustering Techniques and Hierarchical Matrix Formats for Kernel Ridge Regression

We present memory-efficient and scalable algorithms for kernel methods used in machine learning. Using hierarchical matrix approximations for the kernel matrix the memory requirements, the number of floating point operations, and the execution time are drastically reduced compared to standard dense linear algebra routines. We consider both the general H matrix hierarchical format as well as Hierarchically Semi-Separable (HSS) matrices. Furthermore, we investigate the impact of several preprocessing and clustering techniques on the hierarchical matrix compression. Effective clustering of the input leads to a ten-fold increase in efficiency of the compression. The algorithms are implemented using the STRUMPACK solver library. These results confirm that - with correct tuning of the hyperparameters - classification using kernel ridge regression with the compressed matrix does not lose prediction accuracy compared to the exact - not compressed - kernel matrix and that our approach can be extended to O(1M) datasets, for which computation with the full kernel matrix becomes prohibitively expensive. We present numerical experiments in a distributed memory environment up to 1,024 processors of the NERSC's Cori supercomputer using well-known datasets to the machine learning community that range from dimension 8 up to 784.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Computational Math Problems for a Clean Energy Future

Cutting edge computational mathematics are ubiquitous in renewable energy research. Problems in resilient and reliable electric grid operations, infrastructure planning, wind farm yaw control, and more demand sophisticated and scalable computational tools that enable the transition of renewable energy technologies from proof of concept to deployment into our energy system. The mission of the Computational Science Center at NREL is to lead the lab's efforts to solve energy challenges using high-performance computing (HPC), computational science, applied mathematics, scientific data management, visualization, and informatics. In this poster, we provide a short overview of three areas of computational mathematics research at NREL: wind power scenario generation for stochastic grid operations and infrastructure planning, improved rational function approximations for electromagnetic transients codes, and wind farm yaw control using a combination of the Alternating Direction Method of Multipliers (ADMM) and reinforcement learning (RL). Increasing penetrations of renewable energy into power grids motivate the investigation of new approaches to characterizing uncertainty for five-minute economic dispatch problems. Similarly, as the penetration of distributed energy resources on power grids increases, it becomes important to revisit our methods of modelling transient phenomena, i.e. electromagnetic transients programs. Finally, the combination of ADMM and RL for wind farm yaw control presented here can potentially increase the efficiency of the deployed distributed controllers by orders of magnitude.

ADMM↗

DOE OSTI2022

Learning and Fast Adaptation for Grid Emergency Control via Deep Meta Reinforcement Learning

As power systems are undergoing a significant transformation with more uncertainties, less inertia and closer to operation limits, there is increasing risk of large outages. Thus, there is an imperative need to enhance grid emergency control to maintain system reliability and security. Towards this end, great progress has been made in developing deep reinforcement learning (DRL) based grid control solutions in recent years. However, existing DRL-based solutions have two main limitations: 1) they cannot handle well with a wide range of grid operation conditions, system parameters, and contingencies; 2) they generally lack the ability to fast adapt to new grid operation conditions, system parameters, and contingencies, limiting their applicability for real-world applications. Here, in this paper, we mitigate these limitations by developing a novel deep meta-reinforcement learning (DMRL) algorithm. The DMRL combines the meta strategy optimization together with DRL, and trains policies modulated by a latent space that can quickly adapt to new scenarios. We test the developed DMRL algorithm on the IEEE 300-bus system. We demonstrate fast adaptation of the meta-trained DRL polices with latent variables to new operating conditions and scenarios using the proposed method, which achieves superior performance compared to the state-of-the-art DRL and model predictive control (MPC) methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2018

Probabilistic Short-Term Wind Forecasting Based on Pinball Loss Optimization: Preprint

Probabilistic wind power forecasts that quantify the uncertainty in wind output have the potential to aid in the economic grid integration of wind power at large penetration levels. In this paper, a novel probabilistic wind forecasting approach based on pinball loss optimization is proposed, in conjunction with a multi-model machine learning based ensemble deterministic forecasting framework. By assuming the pointforecasted value as the mean at each point, one unknown parameter (i.e., standard deviation) of a predictive distribution at each forecasting point is determined by minimizing the pinball loss. A surrogate model is developed to represent the unknown distribution parameter as a function of deterministic forecasts. This surrogate model can be used together with deterministic forecasts to predict the unknown distribution parameter and thereby generate probabilistic forecasts. Numerical results of case studies show that the proposed method has improved the pinball loss by up to 35% compared to a baseline quantile regression forecasting model.

17 WIND ENERGY↗

DOE OSTI2023

Time-drift Aware RF Optimization with Machine Learning Techniques

The Fermilab Linac delivers 400 MeV H- beam to the rest of the accelerator chain. Providing stable intensity, energy, and emittance is key since it directly affects downstream machines. To operate high current beam, accelerators must minimize uncontrolled particle loss; this can be accomplished by minimizing beam longitudinal emittance via RF parameter optimization. However, RF tuning is required daily since the resonance frequency of the accelerating cavities is affected by ambient temperature and humidity variations and thus drifts with time. In addition, the energy and phase space distribution of particles emerging from the ion source are subject to fluctuations. Such drift is not unique to Fermilab, but rather affects most laboratories. We are exploring machine learning (ML) algorithms for automated RF tuning for 2 objectives: optimization of Linac output energy and phase oscillation correction, with an emphasis on time-drift aware modeling that can account for conditions changing over time.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Statistical and Machine Learning Approaches to Analyzing Pipeline Incidents in the United States (2010–2024)

This study applies machine learning methods to analyze natural gas pipeline incidents in the United States using the Pipeline and Hazardous Materials Safety Administration (PHMSA) Gas Distribution Incident Dataset (2010–2024). The dataset includes over 600 variables describing incident characteristics, infrastructure attributes, and contributing factors associated with unintentional gas releases. The objective is to assess whether these features can reliably predict the underlying cause of pipeline failures. Multinomial logistic regression and Random Forest models were developed to classify incident causes, including excavation damage, corrosion, equipment failure, and natural forces. Results show that excavation damage is both the most frequent and most predictable cause, with models achieving strong performance for this category. However, when excavation damage is excluded, model accuracy declines significantly, with some models performing near random levels. Across all approaches, severe class imbalance and limited variability in key predictors constrain predictive performance. Pipeline age and diameter emerge as the most influential variables, but they provide insufficient discriminatory power to distinguish among less frequent failure types. These findings indicate that non-excavation-related incidents are rare, heterogeneous, and weakly represented in the dataset, limiting the effectiveness of machine learning classification. Overall, this study highlights the structural limitations of the PHMSA dataset for predictive modeling and underscores the need for improved data balance and feature enrichment. The results reinforce excavation damage prevention as the most impactful strategy for reducing pipeline incidents.

03 NATURAL GAS↗