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At least 361 records · Page 20

Physics-guided dual implicit neural representations for source separation

Significant challenges exist in efficient data analysis of most advanced experimental and observational techniques because the collected signals often include unwanted contributions, such as background and signal distortions, that can obscure the physically relevant information of interest. To address this, we have developed a self-supervised machine-learning approach for source separation using a dual implicit neural representation framework that jointly trains two neural networks: one for approximating distortions of the physical signal of interest and the other for learning the effective background contribution. Our method learns directly from the raw data by minimizing a reconstruction-based loss function without requiring labeled data or pre-defined dictionaries. We demonstrate the effectiveness of our framework by considering a challenging case study involving large-scale simulated, as well as experimental, momentum-energy-dependent inelastic neutron scattering data in a four-dimensional parameter space, characterized by heterogeneous background contributions and unknown distortions to the target signal. The method is found to successfully separate physically meaningful signals from a complex or structured background even when the signal characteristics vary across all four dimensions of the parameter space. An analytical approach that informs the choice of the regularization parameter is presented. Our method offers a versatile framework for addressing source separation problems across diverse domains, ranging from superimposed signals in astronomical measurements to structural features in biomedical image reconstructions.

47 OTHER INSTRUMENTATION↗

Reinforcement Learning for Intelligent Building Energy Management System Control *

A building energy management system (BEMS) is a computer-based system designed to monitor and control a building's energy needs. Modern BEMS rely on the sensing and connectivity capabilities of Internet of Things (IoT) technology to intelligently adjust the energy consumption to reduce cost while respecting the consumers' preferences. Increasingly, control decisions are made based on predictions by models trained using supervised machine learning methods, which still requires control policies to be formulated in a rule-based fashion. When using reinforcement learning (RL) instead, control policies are learned by observing the utility in terms of cost and comfort associated with actions such as a change in the heating system's setpoint. The resulting RL-based controllers can capture not only the dynamics of the building and the associated electrical devices, but also fluctuations in electricity prices and user demand, avoiding the need to combine multiple predictive models with tailored control policies. This chapter will provide an overview of RL-based approaches for BEMS. After sketching the taxonomy of general RL methods, we discuss the implications of relying on the individual methods in a BEMS context. Existing work applying RL is presented along the key devices controlled by BEMS systems. Finally, we summarize the state-of-the-art and sketch limitations and open research directions.

Kotevska, Olivera↗

Machine Learning Inference of Random Medium Properties

Earth materials are heterogeneous across a range of spatial scales, but the resolvability of small structures is limited by sparse data coverage, noise, bandlimitedness, and other difficulties. In practice, heterogeneities below a certain size cannot be recovered from seismic data except through statistical medium descriptions, which even then can be difficult to uniquely determine. To improve the characterization of such heterogeneities, we develop a novel supervised machine learning (ML) model that provides insight about the recoverability of statistical medium properties from elastic waveform data and succeeds despite cycle-skipping and other challenges well known from elastic waveform inversion. We demonstrate the approach using random media generated by superimposing self-affine random variations on homogeneous and layered background structures. After training on sparsely-recorded, high-frequency waveforms from hundreds of different random medium realizations, we show the ability of our ML model to recover correlation lengths and other statistical properties of interest to near-surface and crustal seismology, among other fields. For frequency passbands and spatial offsets encountered in seismology, Gaussian correlation lengths and the amplitude of the random variations relative to the background model are recovered even in challenging scenarios involving unknown medium parameters, complex crustal structures, and low signal-to-noise ratio. In comparison, von Kármán correlation lengths, which are related to larger-wavelength variations of the medium than Gaussian correlation lengths, are not as well recovered. These results provide one of the first and most systematic investigations of the recoverability of statistical properties of heterogeneities below the resolution limit of deterministic seismic tomography, and suggest practical ML strategies for high-frequency waveform seismology.

58 GEOSCIENCES↗

FALCON: Framework for Anomaly Detection in Industrial Control Systems

Industrial Control Systems (ICS) are used to control physical processes in critical infrastructure. These systems are used in a wide variety of operations such as water treatment, power generation and distribution, and manufacturing. While the safety and security of these systems are of serious concern, recent reports have shown an increase in targeted attacks aimed at manipulating physical processes to cause catastrophic consequences. This trend emphasizes the need for algorithms and tools that provide resilient and smart attack detection mechanisms to protect ICS. In this paper, we propose an anomaly detection framework for ICS based on a deep neural network. The proposed methodology uses dilated convolution and long short-term memory (LSTM) layers to learn temporal as well as long term dependencies within sensor and actuator data in an ICS. The sensor/actuator data are passed through a unique feature engineering pipeline where wavelet transformation is applied to the sensor signals to extract features that are fed into the model. Additionally, this paper explores four variations of supervised deep learning models, as well as an unsupervised support vector machine (SVM) model for this problem. The proposed framework is validated on Secure Water Treatment testbed results. This framework detects more attacks in a shorter period of time than previously published methods.

97 - MATHEMATICS AND COMPUTING↗

Machine Learning Correlation of Electron Micrographs and ToF-SIMS for the Analysis of Organic Biomarkers in Mudstone

The spatial distribution of organics in geological samples can be used to determine when and how these organics were incorporated into the host rock. Mass spectrometry (MS) imaging can rapidly collect a large amount of data, but ions produced are mixed without discrimination, resulting in complex mass spectra that can be difficult to interpret. Here, we apply unsupervised and supervised machine learning (ML) to help interpret spectra from time-of-flight-secondary ion mass spectrometry (ToF-SIMS) of an organic-carbon-rich mudstone of the Middle Jurassic of England (UK). It was previously shown that the presence of sterane molecular biomarkers in this sample can be detected via ToF-SIMS (Pasterski, M. J. et al., Astrobiology 2023, 23, 936). We use unsupervised ML on scanning electron microscopy–electron dispersive spectroscopy (SEM-EDS) measurements to define compositional categories based on differences in elemental abundances. We then test the ability of four ML algorithms─k-nearest neighbors (KNN), recursive partitioning and regressive trees (RPART), eXtreme gradient boost (XGBoost), and random forest (RF)─to classify the ToF-SIM spectra using (1) the categories assigned via SEM-EDS, (2) organic and inorganic labels assigned via SEM-EDS, and (3) the presence or absence of detectable steranes in ToF-SIMS spectra. In terms of predictive accuracy and balanced accuracy, KNN was the best performing model and RPART the worst. The feature importance, or the specific features of the ToF-SIM spectra used by the models to make classifications, cannot be determined for KNN, preventing posthoc model interpretation. Nevertheless, the feature importance extracted from the other models was useful for interpreting spectra. In conclusion, we determined that some of the organic ions used to classify biomarker containing spectra may be fragment ions derived from kerogen which is abundant in this mudstone sample.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Deep Learning Prediction of Interspecies Interactions from Self-organized Spatiotemporal Patterns of Co-evolving Organisms

Microorganisms colonizing natural habits such as soils co-evolve to form specific spatial patterns through interspecies interactions. These self-organized patterns are a key ecological phenotype, which provides critical information on their interaction mechanisms. However, conventional network inference techniques that analyze species population data in bulk have yet to be extended to account for such spatial heterogeneity. Here we proposed supervised deep learning as a new network inference tool for predicting interspecies interactions from spatiotemporal patterns of microbial evolution. Due to lack of biological imaging data that can be used for training deep learning networks, we used in silico data generated from high-fidelity agent-based models to determine model structure and parameters. Even though networks were trained under simple configurations where interaction coefficients are assumed to be spatially invariant, we demonstrated that the resulting model can be utilized to successfully predict spatial variation of interactions in more complex domains (i.e., configured with a context-dependent mixture of interaction coefficients) as well as in simple domains without further training. In the further test against real biological data obtained through imaging experiments of a binary consortium (Pseudomonas fluorescens and a mutant of Escherichia coli), our model also predicted the dramatic shifts in interactions of the two organisms across different environmental contexts. Through various successful demonstrations in this work, the combined use of the agent-based model and machine learning algorithm provides a means to use new type of data - microscopic images - for extracting microbial interactions, therefore presenting itself as a useful tool for the analysis of more complex microbial community interactions.

Lee, Joon-Yong↗

Underground hydrogen storage leakage detection and characterization based on machine learning of sparse seismic data

Underground hydrogen storage (UHS) is considered as a scalable approach for massive storage and seasonal extraction of hydrogen (H 2 ). Although conventional leakage detection and characterization methods based on time-lapse seismic imaging and inversion generally apply to H 2 leakage detection problem, a high-fidelity yet cost effective geophysics approach is still missing to reliably inform leakage location and properties based on very sparse data. In response, we develop a novel supervised machine learning method to detect and characterize H 2 leakage from UHS. The input to our neural network are sparse time-lapse seismic waveforms, while the output from the neural network includes the spatial location and physical properties of a H 2 leakage. Here, we generate high-quality time-lapse waveforms using the elastic-wave equations to train the neural network. We train and validate our machine learning model and find that it attains high accuracy in using extremely sparse time-lapse seismic data to detect and characterize H 2 leakage. Our investigation is the first systematic study that focuses on applying machine learning to subsurface H 2 leakage detection and characterization and could potentially serve as a cost-effective geophysical tool for underground hydrogen leakage detection and characterization with high fidelity.

08 HYDROGEN↗

Distinguishing Orbiting and Infalling Dark Matter Particles with Machine Learning

Dark matter halos are typically defined as spheres that enclose some overdensity, but these sharp, somewhat arbitrary boundaries introduce nonphysical artifacts such as backsplash halos, pseudo-volution, and an incomplete accounting of halo mass. A more physically motivated alternative is to define halos as the collection of particles that are physically orbiting within their potential well. However, existing methods to classify particles as orbiting or infalling suffer from trade-offs between accuracy, computational cost, and generalizability across cosmologies. We present an efficient, yet accurate, supervised machine learning approach using decision trees. The classification is based on only the particle radii and velocities at two epochs. Compared to detailed analysis of particle trajectories, we find that our model matches the classification of 97% of particles. Consequently, we are able to quickly and accurately reproduce the density profiles of the orbiting and infalling components out to many virial radii. We demonstrate that our model generalizes to a significantly different cosmology that lies outside the training data set. We make publicly available both our final model and the code to train similar models.

79 ASTRONOMY AND ASTROPHYSICS↗

FY21 Progress Report: SRNL Analysis of ICCWR LCM and WAMS data for Corrosion and Cracking

The development of algorithms for machine learning and data analysis for the 3013 Surveillance Program is a collaborative effort by the Savannah River National Laboratory (SRNL) and the University of South Carolina (USC). For corrosion detection, Laser Confocal Microscope (LCM) or Wide Area 3D Measurement System (WAMS) data is extracted from large binary files, with software written to convert the data to physical attributes (e.g., height, color and grayscale values; all as functions of a location in a plane projection). A user-friendly Matlab Graphical User Interface (GUI) that reads data from either LCM or WAMS files was developed to integrate input data with software developed for processing and evaluation. The GUI can selectively download binary data, interrogate data attributes, label data, flag significant features, execute Machine Learning (ML) algorithms, output parameters for trained ML algorithms, report ML model accuracy with respect to labeled data, and generate graphical representations for various analyses. Features can be called out by user-specified thresholds, manual labeling or machine learning algorithms when they have been completed. The ability to rapidly label data is important because of the volume of data required for training machine learning algorithms. The GUI has the flexibility to allow addition of improved ML algorithms, methods for data visualization, and statistical computations. Statistical analyses via the GUI include areas of pits within a defined range of pit depths, correlations between Red-Green-Blue (RGB) or grayscale intensity and relative surface height, covariances between values associated with features, and feature histograms. The development of supervised machine learning algorithms, however, has been hindered by a lack of training data. The machine learning algorithms for crack identification are being refined but require improvements to the true positive rate for crack detection. This shortcoming is an artifact of the limited training data currently available, perhaps more so than the structure of the neural networks. At present, the best results are had from a consensus over an ensemble of randomly generated Deep Neural Network (DNN) or Convolutional Neural Network (CNN) algorithms. Although the consensus accuracy method has yielded optimum true positive and true negative rates in excess of 80%, additional validation testing is necessary. In addition to the suite of LCM data that was initially used, and which represents the majority of the work presented in this report, WAMS image data was also reviewed at a preliminary level. The review included a comparison between image resolution and dynamic range for each method. WAMS (ZON file) image data was found to have a pixel pitch of 3.69μm compared to 1 μm for the LCM (vk4 file) data, which implies a lower resolution for the WAMS images. Conversely, the ratio of dynamic range of the WAMS data to the LCM data was approximately 41:20 for height data, suggesting that information from WAMS should more accurately determine the depth of pits. At present, the significance of the greater dynamic range of the WAMS data relative to the LCM data has not yet been evaluated.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Identifying recharge sources and their impacts on a North Central New Mexico shallow aquifer using unsupervised machine learning

In this article, shallow aquifers are important but highly variable resources in arid to semi-arid regions. Limited shallow aquifer volume results in high sensitivity to recharge fluctuations, which can impact the local fauna and flora, and transport of contaminants in the aquifer or vadose zone. Aquifer response to external forcing (e.g., precipitation) is usually solved by estimating aquifer parameters and running physics-based models to match known fluctuations of hydraulic head. However, this technique is time and computationally expensive. Furthermore, high aquifer complexity decreases precision in physics-based models. Alternatively supervised machine learning is used to predict aquifer dynamics. However, these techniques rely on input data and struggle to interpret aquifer response for missing sources (i.e., snowpack data). To counter these problems, we propose an unsupervised machine learning technique (NMFk) to estimate the impact of different sources on aquifer recharge. NMFk is used to understand the influence of external forcing on shallow aquifer recharge in the Pajarito Plateau (Los Alamos, NM, USA). The results show how NMFk can be used to reduce the data dimension in a complex field dataset to three recharge signals that cause fluctuations within the field data. Here, the source signals are interpreted as rainfall, snowmelt, and a delayed aquifer response to the previous two signals. These results evidence how heterogeneous aquifers delimited by canyons incised into the Pajarito Plateau respond in similar ways to the source signals identified by NMFk. Furthermore, results show the importance of the local geology where faults act as sinks, and anthropogenic disturbances can facilitate infiltration amplifying the interpreted signal.

54 ENVIRONMENTAL SCIENCES↗

Deep Learning Approach for High-accuracy Electron Counting of Monolithic Active Pixel Sensor-type Direct Electron Detectors at Increased Electron Dose

Abstract Electron counting can be performed algorithmically for monolithic active pixel sensor direct electron detectors to eliminate readout noise and Landau noise arising from the variability in the amount of deposited energy for each electron. Errors in existing counting algorithms include mistakenly counting a multielectron strike as a single electron event, and inaccurately locating the incident position of the electron due to lateral spread of deposited energy and dark noise. Here, we report a supervised deep learning (DL) approach based on Faster region-based convolutional neural network (R-CNN) to recognize single electron events at varying electron doses and voltages. The DL approach shows high accuracy according to the near-ideal modulation transfer function (MTF) and detector quantum efficiency for sparse images. It predicts, on average, 0.47 pixel deviation from the incident positions for 200 kV electrons versus 0.59 pixel using the conventional counting method. The DL approach also shows better robustness against coincidence loss as the electron dose increases, maintaining the MTF at half Nyquist frequency above 0.83 as the electron density increases to 0.06 e−/pixel. Thus, the DL model extends the advantages of counting analysis to higher dose rates than conventional methods.

Materials Science↗

Large-scale genomic analyses with machine learning uncover predictive patterns associated with fungal phytopathogenic lifestyles and traits

Abstract Invasive plant pathogenic fungi have a global impact, with devastating economic and environmental effects on crops and forests. Biosurveillance, a critical component of threat mitigation, requires risk prediction based on fungal lifestyles and traits. Recent studies have revealed distinct genomic patterns associated with specific groups of plant pathogenic fungi. We sought to establish whether these phytopathogenic genomic patterns hold across diverse taxonomic and ecological groups from the Ascomycota and Basidiomycota, and furthermore, if those patterns can be used in a predictive capacity for biosurveillance. Using a supervised machine learning approach that integrates phylogenetic and genomic data, we analyzed 387 fungal genomes to test a proof-of-concept for the use of genomic signatures in predicting fungal phytopathogenic lifestyles and traits during biosurveillance activities. Our machine learning feature sets were derived from genome annotation data of carbohydrate-active enzymes (CAZymes), peptidases, secondary metabolite clusters (SMCs), transporters, and transcription factors. We found that machine learning could successfully predict fungal lifestyles and traits across taxonomic groups, with the best predictive performance coming from feature sets comprising CAZyme, peptidase, and SMC data. While phylogeny was an important component in most predictions, the inclusion of genomic data improved prediction performance for every lifestyle and trait tested. Plant pathogenicity was one of the best-predicted traits, showing the promise of predictive genomics for biosurveillance applications. Furthermore, our machine learning approach revealed expansions in the number of genes from specific CAZyme and peptidase families in the genomes of plant pathogens compared to non-phytopathogenic genomes (saprotrophs, endo- and ectomycorrhizal fungi). Such genomic feature profiles give insight into the evolution of fungal phytopathogenicity and could be useful to predict the risks of unknown fungi in future biosurveillance activities.

59 BASIC BIOLOGICAL SCIENCES↗

Anomaly Detection and Mitigation for Wide-Area Damping Control using Machine Learning

In an interconnected multi-area power system, wide-area measurement based damping controllers are used to damp out inter-area oscillations, which jeopardize grid stability and constrain the power flows below to their transmission capacity. The effect of wide-area damping control (WADC) significantly depends on both power and cyber systems. At the cyber system layer, an adversary can inflict the WADC process by compromising either measurement signals, control signals or both. Stealthy and coordinated cyber-attacks may bypass the conventional cybersecurity measures to disrupt the seamless operation of WADC. This paper proposes an anomaly detection (AD) algorithm using supervised Machine Learning and a model-based logic for mitigation. The proposed AD algorithm considers measurement signals (input of WADC) and control signals (output of WADC) as input to evaluate the type of activity such as normal, perturbation (small or large signal faults), attack and perturbation-and-attack. Upon anomaly detection, the mitigation module tunes the WADC signal and sets the control status mode as either wide-area mode or local mode. The proposed anomaly detection and mitigation (ADM) module works inline with the WADC at the control center for attack detection on both measurement and control signals and eliminates the need for ADMs at the geographically distributed actuators. Here, we consider coordinated and primitive data-integrity attack vectors such as pulse, ramp, relay-trip and replay attacks. The performance of the proposed ADM algorithms was evaluated under these attack vector scenarios on a testbed environment for 2-area 4-machine power system. The ADM module shows effective performance with 96:5% accuracy to detect anomalies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Using machine learning to predict the correlation of spectra using SDSS magnitudes as an improvement to the Locus Algorithm

The Locus Algorithm is a new technique to improve the quality of differential photometry by optimising the choices of reference stars. At the heart of this algorithm is a routine to assess how good each potential reference star is by comparing its SDSS magnitude values to those of the target star. In this way, the difference in wavelength-dependent effects of the Earth’s atmospheric scattering between target and reference can be minimised. This paper sets out a new way to estimate the quality of each reference star using machine learning. A random subset of stars from SDSS with spectra was chosen. For each one, a suitable reference star, also with a spectrum, was chosen. The correlation between the two spectra in the SDSS r band (between 550 nm and 700 nm) was taken to be the gold-standard measure of how well they match up for differential photometry. The five SDSS magnitude values for each of these stars were used as predictors. A number of supervised machine learning models were constructed on a training set of the stars and were each evaluated on a testing set. The model using Support Vector Regression had the best performance of these models. It was then tested on a final, hold-out, validation set of stars to get an unbiased measure of its performance. With an R 2 of 0.62, the SVR model presents enhanced performance for the Locus Algorithm technique.

79 ASTRONOMY AND ASTROPHYSICS↗

Machine Learning-based Cyber-Physical Anomaly Detection in Wide Area Voltage Control Systems

Wide-area voltage control systems (WAVCS) are widely deployed in power grid to improve the voltage stability in transmission system using Flexible AC Transmission System (FACTS) devices. The WAVCS relies on wide-area measurement and control signals for closed-loop control of FACTS devices to improve the transient voltage stability in power grid in real-time. Since the WAVCS utilizes a cyber-layer communication during its normal operation, they are susceptible to cyber attacks from adversaries which can lead to a voltage collapse if the attacks go undetected and unmitigated. This paper proposes a supervised machine learning (ML)-based anomaly detection algorithm for detecting various stealthy cyber attacks in the context of WAVCS cybersecurity. In particular, a fuzzy logic-based wide-area controller, as proposed by the Bonneville Power Administration (BPA), is implemented on the Kundur’s four machine two-area system that is integrated with a static var compensator (SVC) to improve voltage profile on sensitive buses. Later, different types of data integrity attacks, including pulse and ramp attacks, are considered on the wide-area measurement and control signals to analyze the performance of the proposed anomaly detector. Our experimental evaluation shows a promising performance with a high true-positive rate (more than 99%) and low false-negative rate (less than 1%) while exhibiting a small prediction time.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Power Prediction of Airborne Wind Energy Systems Using Multivariate Machine Learning

Kites can be used to harvest wind energy at higher altitudes while using only a fraction of the material required for conventional wind turbines. In this work, we present the kite system of Kyushu University and demonstrate how experimental data can be used to train machine learning regression models. The system is designed for 7 kW traction power and comprises an inflatable wing with suspended kite control unit that is either tethered to a fixed ground anchor or to a towing vehicle to produce a controlled relative flow environment. A measurement unit was attached to the kite for data acquisition. To predict the generated tether force, we collected input–output samples from a set of well-designed experimental runs to act as our labeled training data in a supervised machine learning setting. We then identified a set of key input parameters which were found to be consistent with our sensitivity analysis using Pearson input–output correlation metrics. Finally, we designed and tested the accuracy of a neural network, among other multivariate regression models. The quality metrics of our models show great promise in accurately predicting the tether force for new input/feature combinations and potentially guide new designs for optimal power generation.

17 WIND ENERGY↗

Density of states prediction for materials discovery via contrastive learning from probabilistic embeddings

Abstract Machine learning for materials discovery has largely focused on predicting an individual scalar rather than multiple related properties, where spectral properties are an important example. Fundamental spectral properties include the phonon density of states (phDOS) and the electronic density of states (eDOS), which individually or collectively are the origins of a breadth of materials observables and functions. Building upon the success of graph attention networks for encoding crystalline materials, we introduce a probabilistic embedding generator specifically tailored to the prediction of spectral properties. Coupled with supervised contrastive learning, our materials-to-spectrum (Mat2Spec) model outperforms state-of-the-art methods for predicting ab initio phDOS and eDOS for crystalline materials. We demonstrate Mat2Spec’s ability to identify eDOS gaps below the Fermi energy, validating predictions with ab initio calculations and thereby discovering candidate thermoelectrics and transparent conductors. Mat2Spec is an exemplar framework for predicting spectral properties of materials via strategically incorporated machine learning techniques.

97 MATHEMATICS AND COMPUTING↗

HIGH-LOW FIDELITY THERMAL HYDRAULIC COUPLING USING AI/MACHINE LEARNING ALGORITHMS

The primary goal of the US Department of Energy (DOE) office of Nuclear Energy Integrated Energy Systems (IES) program is to develop the tools and framework for coupling multi-scale and multi-physical thermal and electrical energy usage and storage systems. High- and low-fidelity (high–low) coupling is a key feature of multi-scale, multi-component systems and has been an important focus of research in the nuclear energy community for the past two decades. An essential feature of demonstrating the capability to couple high-fidelity and low-fidelity systems for real-time applications are surrogate/reduced order models (ROM). For the purposes of this study, surrogate models are essentially Blackbox models, typically developed using supervised Machine learning (ML) algorithms. The surrogate models can be used to mimic the response of high-fidelity models to represent large historical datasets and coupled with more general low-fidelity system models distributed as Functional Mock-up Interface (FMI) or Functional Mock-up Units (FMU) modules. The example is demonstrated with Spallation Neutron Source (SNS) First Target Station flow loop data. The flow loop is a liquid mercury loop with a pump, piping, heat exchange, and internal heat generation in the target window. This work elucidates some of the potential benefits and future needs of developing tools for high–low system coupling of energy systems.

Williams, Wesley↗