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At least 55 records · Page 3

Uncertainty Quantification of Capacitor Switching Transient Location using Machine Learning

Identification of capacitor switching transient location provides valuable insight into the state of the associated equipment. Machine learning (ML) models, and convolutional neural networks (CNNs) in particular, have demonstrated remarkable performance in signal location. However, ML models are data driven whose predictions are affected by noise in data and may also suffer from large extrapolation errors when applied to new conditions. Uncertainty quantification (UQ) is necessary to ensure model trustworthiness and avoid overconfident predictions in extrapolation. Here, in this work, we propose a novel UQ method, called PI3NN, to quantify prediction uncertainty of ML models and integrate the method with CNNs for transient source location. PI3NN calculates Prediction Intervals by training 3 Neural Networks and uses root-finding methods to determine the interval precisely. Additionally, PI3NN can identify out-of-distribution (OOD) data in a nonstationary condition to avoid overconfident prediction. Results indicate that with PI3NN, transient signals are not only correctly identified, but when said signals are subject to corruptions characteristic of an actual power monitoring system (e.g. non-ideal sensors), the model recognizes when it is uncertain about its predictions, effectively letting the user know when to accept or discard the results.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Regional Real-Time PV Spinning Reserve Estimator

Curtailed photovoltaic (PV) generation is a zero-marginal-cost spinning reserve that can be used for a number of active power control services. Unlike traditional spinning reserve providers, however, i.e., fossil-fueled generators, which have well-defined operating characteristics, e.g., available headroom or potential high limit (PHL), PV plants have by nature variable and uncertain operating characteristics. To ensure the effective coordination between PV plants and the system operator during an active power control event, accurate knowledge of the PV PHL is essential. It ensures that enough headroom is reserved by the PV plants to deliver the award services in real time and informs feasible dispatch decisions made by the market operator. To tackle this challenge, a novel reference-control grouping-based PV plant reserve estimation method has been proposed by the National Renewable Energy Laboratory under past projects funded by the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Solar Energy Technologies Office. The estimation method separates inverters within a plant into two groups: a control group and a reference group. While the reference group is reserved to operate at its PHL, the control group can be curtailed to provide the grid services. Real-time outputs from the reference inverters are used to estimate the PHL for the whole plant based on the ratio between capacities of the reference group and of the plant. This work further enhances the methodology by (1) improving the model accuracy through machine learning; (2) automating the reference inverter selection through correlation analysis; (3) considering estimation look-ahead windows; and (4) applying to regional spinning reserve estimation. Significant performance improvement has been observed based on real-world data collected by CAISO, Southern Company, and Terabase Energy. Compared with the original scaling method, the newly proposed machine learning-based approach reduces the estimation errors by 30% and 13% at the plant level and region level, respectively. Results obtained from this project are intended to be used by grid operators, market operators, balancing authorities, and PV plant owners and operators to facilitate PV participation in ancillary service markets. Regulators, policymakers, and system planners can also consider the results of this work in their decision-making processes. In addition to the performance improvement on the existing reference-control based grouping method, we also investigated how the variability of PV generation from a single PV inverter can be used to represent the variability of PV generation at the plant level.

24 POWER TRANSMISSION AND DISTRIBUTION↗

TorchBraid: High-Performance Layer-Parallel Training of Deep Neural Networks with MPI and GPU Acceleration

TorchBraid is a high-performance implementation of layer-parallel training for deep neural networks (DNNs) supporting MPI-based parallelism and GPU acceleration. Layer-parallel training has been developed to overcome the serialization inherent in forward and backward propagation of DNNs that limits utilization of computational resources in the strong scaling limit. To achieve this, TorchBraid integrates the PyTorch neural network framework with the state-of-the-art XBraid time-parallel library. Furthermore, this article presents the use and performance of TorchBraid, in addition to solutions for overcoming the algorithmic challenges inherent in combining automatic differentiation with layer-parallel. Results are presented with and without GPU acceleration for the Tiny ImageNet and MNIST image classification data sets, as well as recurrent neural networks. Overall, TorchBraid enables fast training of DNNs, both in a strong and weak scaling context. In addition to the TorchBraid software, several new advances in applying layer-parallel algorithms are detailed. Integration of layer-parallel with data-parallel algorithms is presented for the first time, showing the computational advantages of the combination. Standard deep learning techniques, like batch-normalization, are developed for layer-parallel training. Finally, a new approach combining layer-parallel with spatial coarsening in order to accelerate training for 3D image classification shows roughly a 10× speedup over serial execution.

Layer-parallel↗

Parallel physics-informed neural networks via domain decomposition

Here we develop a distributed framework for the physics-informed neural networks (PINNs) based on two recent extensions, namely conservative PINNs (cPINNs) and extended PINNs (XPINNs), which employ domain decomposition in space and in time-space, respectively. This domain decomposition endows cPINNs and XPINNs with several advantages over the vanilla PINNs, such as parallelization capacity, large representation capacity, efficient hyperparameter tuning, and is particularly effective for multi-scale and multi-physics problems. Here, we present a parallel algorithm for cPINNs and XPINNs constructed with a hybrid programming model described by MPI + X, where X ∈ {CPUs, GPUs}. The main advantage of cPINN and XPINN over the more classical data and model parallel approaches is the flexibility of optimizing all hyperparameters of each neural network separately in each subdomain. We compare the performance of distributed cPINNs and XPINNs for various forward problems, using both weak and strong scalings. Our results indicate that for space domain decomposition, cPINNs are more efficient in terms of communication cost but XPINNs provide greater flexibility as they can also handle time-domain decomposition for any differential equations, and can deal with any arbitrarily shaped complex subdomains. To this end, we also present an application of the parallel XPINN method for solving an inverse diffusion problem with variable conductivity on the United States map, using ten regions as subdomains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electricity Market Dynamics as Smooth Games: Organizing Gradient-Based Learners and Identifying Instabilities

Wide-spread adoption of machine learning and distributed energy production has the potential to fundamentally change behaviours of energy markets. In practice, along with the benefits, previously unseen instabilities have begun emerging in markets currently embracing these technologies. In this report we study electricity markets as dynamical systems arising in smooth games, where energy consumers are modelled as gradient-based learners who interact on a graph through distributed energy producers. We give simple examples of how instabilities can arise even when the consumers’ local objectives seem reasonable and how these instabilities can be remedied. Drawing insights from these examples, we begin developing a general model of optimization-driven electricity market dynamics and give conditions for ensuring local Nash equilibria of the system are stable fixed points of the dynamics. Our results demonstrate how models of electricity market dynamics might be used for deriving formal guarantees in order to stabilize markets and enact regulatory policies in the face of market shocks.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Insights into the origin of halo mass profiles from machine learning

ABSTRACT The mass distribution of dark matter haloes is the result of the hierarchical growth of initial density perturbations through mass accretion and mergers. We use an interpretable machine-learning framework to provide physical insights into the origin of the spherically-averaged mass profile of dark matter haloes. We train a gradient-boosted-trees algorithm to predict the final mass profiles of cluster-sized haloes, and measure the importance of the different inputs provided to the algorithm. We find two primary scales in the initial conditions (ICs) that impact the final mass profile: the density at approximately the scale of the haloes’ Lagrangian patch RL ($R\sim 0.7\, R_L$) and that in the large-scale environment (R ∼ 1.7 RL). The model also identifies three primary time-scales in the halo assembly history that affect the final profile: (i) the formation time of the virialized, collapsed material inside the halo, (ii) the dynamical time, which captures the dynamically unrelaxed, infalling component of the halo over its first orbit, (iii) a third, most recent time-scale, which captures the impact on the outer profile of recent massive merger events. While the inner profile retains memory of the ICs, this information alone is insufficient to yield accurate predictions for the outer profile. As we add information about the haloes’ mass accretion history, we find a significant improvement in the predicted profiles at all radii. Our machine-learning framework provides novel insights into the role of the ICs and the mass assembly history in determining the final mass profile of cluster-sized haloes.

79 ASTRONOMY AND ASTROPHYSICS↗

Extracting structural motifs from pair distribution function data of nanostructures using explainable machine learning

Characterization of material structure with X-ray or neutron scattering using e.g. Pair Distribution Function (PDF) analysis most often rely on refining a structure model against an experimental dataset. However, identifying a suitable model is often a bottleneck. Recently, automated approaches have made it possible to test thousands of models for each dataset, but these methods are computationally expensive and analysing the output, i.e. extracting structural information from the resulting fits in a meaningful way, is challenging. Our Machine Learning based Motif Extractor (ML-MotEx) trains an ML algorithm on thousands of fits, and uses SHAP (SHapley Additive exPlanation) values to identify which model features are important for the fit quality. We use the method for 4 different chemical systems, including disordered nanomaterials and clusters. ML-MotEx opens for a type of modelling where each feature in a model is assigned an importance value for the fit quality based on explainable ML.

36 MATERIALS SCIENCE↗

Machine learning surrogates for ion energy–angle distributions in thermal and RF plasma sheaths

Ion energy–angle distributions (IEADs) at material surfaces are a critical input for plasma–material interaction (PMI) studies in fusion devices, yet they are computationally expensive to obtain using particle-in-cell (PIC) simulations. In this work, we develop a machine learning surrogate based on a deep deconvolutional neural network (DDeCNN) trained on large databases generated with the hPIC2 code. The surrogate is capable of reconstructing IEADs from sheath parameters for both thermal and radio-frequency (RF) plasmas, including cases with multiple ion species. Across thousands of test cases, the model achieves high accuracy, with over 97 % of predictions classified as good or average based on standard error metrics (MAE, MSE, L2). Even in the more challenging RF and multi-species regimes, the surrogate reliably captures the multi-peak structure of PIC results. Once trained, the surrogate produces IEADs in milliseconds on a common workstation, yielding speedups of six to seven orders of magnitude compared with running a full PIC simulation. This computational gain enables dense parameter scans and direct coupling of IEAD predictions with PMI and erosion models on whole-device scales in fusion-relevant conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Models, data, and scripts associated with “Prediction of Distributed River Sediment Respiration Rates using Community-Generated Data and Machine Learning”

This data package is associated with the publication “Prediction of Distributed River Sediment Respiration Rates using Community-Generated Data and Machine Learning’’ submitted to the Journal of Geophysical Research: Machine Learning and Computation (Scheibe et al. 2024). River sediment respiration observations are expensive and labor intensive to obtain and there is no physical model for predicting this quantity. The Worldwide Hydrobiogeochemisty Observation Network for Dynamic River Systems (WHONDRS) observational data set (Goldman et al.; 2020) is used to train machine learning (ML) models to predict respiration rates at unsampled sites. This repository archives training data, ML models, predictions, and model evaluation results for the purposes of reproducibility of the results in the associated manuscript and community reuse of the ML models trained in this project. One of the key challenges in this work was to find an optimum configuration for machine learning models to work with this feature-rich (i.e. 100+ possible input variables) data set. Here, we used a two-tiered approach to managing the analysis of this complex data set: 1) a stacked ensemble of ML models that can automatically optimize hyperparameters to accelerate the process of model selection and tuning and 2) feature permutation importance to iteratively select the most important features (i.e. inputs) to the ML models. The major elements of this ML workflow are modular, portable, open, and cloud-based, thus making this implementation a potential template for other applications. This data package is associated with the GitHub repository found at Please see the file level metadata (flmd; “sl-archive-whondrs_flmd.csv”) for a list of all files contained in this data package and descriptions for each. Please see the data dictionary (dd; “sl-archive-whondrs_dd.csv”) for a list of all column headers contained within comma separated value (csv) files in this data package and descriptions for each. The GitHub repository is organized into five top-level directories: (1) “input_data” holds the training data for the ML models; (2) “ml_models” holds machine learning models trained on the data in “input_data”; (3) “scripts” contains data preprocessing and postprocessing scripts and intermediate results specific to this data set that bookend the ML workflow; (4) “examples” contains the visualization of the results in this repository including plotting scripts for the manuscript (e.g., model evaluation, FPI results) and scripts for running predictions with the ML models (i.e., reusing the trained ML models); (5) “output_data” holds the overall results of the ML model on that branch. Each trained ML model resides on its own branch in the repository; this means that inputs and outputs can be different branch-to-branch. Furthermore, depending on the number of features used to train the ML models, the preprocessing and postprocessing scripts, and their intermediate results, can also be different branch-to-branch. The “main-*” branches are meant to be starting points (i.e. trunks) for each model branch (i.e. sprouts). Please see the Branch Navigation section in the top-level README.md in the GitHub repository for more details. There is also one hidden directory “.github/workflows”. This hidden directory contains information for how to run the ML workflow as an end-to-end automated GitHub Action but it is not needed for reusing the ML models archived here. Please the top-level README.md in the GitHub repository for more details on the automation.

13C↗

Machine Learning Based Network Parameter Estimation Using AMI Data

The expansion of distribution power system and the growing penetration of distributed energy resources present new challenges for situational awareness. Calibrating the extended system model with sensor measurements and maintaining the usability is critical for utilities. This paper presents a distribution network parameter estimation (DNPE) approach using machine learning (ML) and metering data that improve the quality of extended distribution power system modeling. The reliability model can improve the ability of endpoint data to be translated into network-level situational awareness in real time and help distribution system operators (DSOs) solve branch flow and voltage problems. In addition, a data analytic and automate processing scheme is proposed to improve the sensor data quality and prevent misleading information. The effectiveness of the proposed method is verified with actual advanced metering infrastructure (AMI) data on a real utility feeder model, while considering the higher penetration of photovoltaic power generation. The test of DNPE and study results are demonstrated in this paper.

Parameter estimation, machine learning, power dist↗

Machine Learning Analysis of Hydrologic Exchange Flows and Transit Time Distributions in a Large Regulated River

Hydrologic exchange between river channels and adjacent subsurface environments is a key process that influences water quality and ecosystem function in river corridors. High-resolution numerical models were often used to resolve the spatial and temporal variations of exchange flows, which are computationally expensive. In this study, we adopt Random Forest (RF) and Extreme Gradient Boosting (XGB) approaches for deriving reduced order models of hydrologic exchange flows and associated transit time distributions, with integrated field observations (e.g., bathymetry) and hydrodynamic simulation data (e.g., river velocity, depth). The setup allows an improved understanding of the influences of various physical, spatial, and temporal factors on the hydrologic exchange flows and transit times. The predictors also contain those derived using hybrid clustering, leveraging our previous work on river corridor system hydromorphic classification. The machine learning-based predictive models are developed and validated along the Columbia River Corridor, and the results show that the top parameters are the thickness of the top geological formation layer, the flow regime, river velocity, and river depth; the RF and XGB models can achieve 70% to 80% accuracy and therefore are effective alternatives to the computational demanding numerical models of exchange flows and transit time distributions. Each machine learning model with its favorable configuration and setup have been evaluated. The transferability of the models to other river reaches and larger scales, which mostly depends on data availability, is also discussed.

97 MATHEMATICS AND COMPUTING↗

Situational awareness-enhancing community-level load mapping with opportunistic machine learning

Motivated by present and forthcoming challenges in the adoption and integration of distributed renewable energy, we develop a machine learning (ML) approach that builds short-fuse mappings connecting the occasionally-unobservable true load in one target community with information-rich signals collected from relatively more instrumented reference communities. Our setting is inspired by and tailored to target communities with significant unobservable behind-the-meter solar generation, where true load (a relatively well-behaved quantity of interest to grid operators) is hard to discern during daytime due to insufficient instrumentation and/or privacy reasons, but that can be related to reference communities with low unobservable distributed variable generation or with sufficient instrumentation. The developed mapping, herein realized with Support Vector Machine regression, is built using nighttime data from all communities, when their distributed generation is low or zero. Our ML algorithm opportunistically learns to correlate signals of interest and then is operationally used the next day to shed light into target community load evolution. The mapping is subsequently rebuilt, rolling its short-fuse scope perpetually forward in time. Here, we demonstrate the efficacy of our approach on nine synthetically generated topologies and associated timeseries stemming from real-world data, on which we observe cumulative error performance that yields lower than 10% and 15% daily-averaged mean absolute percentage errors in target community load estimation on more than about 75% and 90% of days, respectively, in multiple yearly evaluations that shed light on long-term performance also under seasonal and one-off effects. The proposed ML-powered methodology can offer grid operators much-improved visibility into a previously obscure space and can also serve as an additional source of information in broader, multi-modal solar disaggregation solutions.

14 SOLAR ENERGY↗

Classification of Intensity Distributions of Transmission Eigenchannels of Disordered Nanophotonic Structures Using Machine Learning

Light-matter interaction optimization in complex nanophotonic structures is a critical step towards the tailored performance of photonic devices. The increasing complexity of such systems requires new optimization strategies beyond intuitive methods. For example, in disordered photonic structures, the spatial distribution of energy densities has large random fluctuations due to the interference of multiply scattered electromagnetic waves, even though the statistically averaged spatial profiles of the transmission eigenchannels are universal. Classification of these eigenchannels for a single configuration based on visualization of intensity distributions is difficult. However, successful classification could provide vital information about disordered nanophotonic structures. Emerging methods in machine learning have enabled new investigations into optimized photonic structures. In this work, we combine intensity distributions of the transmission eigenchannels and the transmitted speckle-like intensity patterns to classify the eigenchannels of a single configuration of disordered photonic structures using machine learning techniques. Specifically, we leverage supervised learning methods, such as decision trees and fully connected neural networks, to achieve classification of these transmission eigenchannels based on their intensity distributions with an accuracy greater than 99%, even with a dataset including photonic devices of various disorder strengths. Simultaneous classification of the transmission eigenchannels and the relative disorder strength of the nanophotonic structure is also possible. Our results open new directions for machine learning assisted speckle-based metrology and demonstrate a novel approach to classifying nanophotonic structures based on their electromagnetic field distributions. These insights can be of paramount importance for optimizing light-matter interactions at the nanoscale.

79 ASTRONOMY AND ASTROPHYSICS↗

Cyberattack Detection and Mitigation on Central Volt‐VAr Using Circuit Law and Machine Learning

ABSTRACT In a distribution grid, voltage is maintained within a nominal range through a Volt‐VAr function that controls capacitor banks, reactive power of distributed energy resources (DER), and on‐load tap changers (OLTC). Availability of communications helps with the implementation of central Volt‐VAr control; however, it also opens the system to cyberattacks, causing voltage disturbances. Previous work has shown the adverse impacts of false data injection (FDI) on the central Volt‐VAr control; however, very few works have studied methods to detect and mitigate FDI on Volt‐VAr control. This paper addresses gaps in the detection and mitigation of FDI on the measurement packets of a central Volt‐VAr control. This work uses a two‐stage algorithm for cyberattack detection since the accuracy of a single‐stage machine learning (ML)–based detection method decreases while dealing with unseen data. The first stage is based on the verification of measurements against circuit laws, and the second stage utilizes a tree search algorithm and an ML method to detect the falsified data. This paper compares long short‐term memory (LSTM) and bidirectional LSTM (BiLSTM) as the employed ML algorithms. Finally, the mitigation algorithm replaces the falsified data with the estimated output of the ML algorithm. The effectiveness of the proposed method is tested for several cases using the IEEE 13‐bus test system in PSCAD software.

Beikbabaei, Milad [Bradley Department of Electrica↗

Investigating the influence of particle distribution on force and torque statistics using hierarchical machine learning

An accurate representation of hydrodynamic force and torque experienced by every particle in a distribution can be obtained from particle resolved (PR) simulations. These unique quantities are influenced by the deterministic position of surrounding particles. However, systems simulated with this methodology are typically limited to particles due to the involved computational cost. This resource requirement is a major bottleneck in analyzing the effect of variations in particle distribution. Here, this article attempts to address this bottleneck by availing relatively inexpensive deep learning models. The surrogate models that we employ in this article use a physics‐based hierarchical framework and symmetry‐preserving neural networks to achieve robustness with limited training data. This article first performs additional generalizability tests on PR data of distinct distributions that are not involved in the training process. The models are then deployed on several different particle distributions. Impact of clustering and structure on the observed statistics are investigated.

42 ENGINEERING↗

Conditional diffusion machine-learning framework for mapping valence electron distribution from convergent beam electron diffraction

Quantitative convergent beam electron diffraction (CBED) enables determination of aspherical valence electron distributions through refinement of low-order structure factors, which are highly sensitive to chemical bonding and charge density variations. However, conventional quantitative CBED (QCBED) requires solving a highly nonlinear inverse problem with many coupled parameters, and computationally intensive dynamical diffraction calculations, making it time-consuming and difficult to apply to complex systems. More broadly, reconstructing charge density and orbital electron distribution from diffraction data has long been a central challenge in both x-ray and electron crystallography. Here, in this study, we introduce an artificial-intelligence (AI)-based framework that replaces traditional refinement with a data-driven inverse solver. Using a large synthetic CBED dataset generated by Bloch-wave simulations, we train a conditional diffusion model to directly infer crystal structural parameters and multipole density formalism parameters, and hence valence electron distributions, from CBED patterns alone. By learning from forward simulations across realistic parameter space, the model effectively solves the inverse problem. Compared with direct regression approaches, the diffusion-based framework provides posterior parameter distributions for rigorous uncertainty quantification while preserving quantitative fidelity and reducing analysis time by orders of magnitude. By eliminating the need for external single-crystal x-ray diffraction data and complex nonlinear refinement, this approach enables practical, high-throughput, and in situ quantitative CBED, enabling real-time mapping of valence electron distributions and their correlation with functional responses in quantum and energy materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗