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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 469 records · Page 26

Applying Machine Learning and Bayesian Inference to Identify and Locate Moving Anthropogenic Sources Using Distributed Acoustic Sensing Data

Distributed acoustic sensing (DAS) systems, which use existing telecommunication fibers, offer high‐resolution capabilities ideal for recording anthropogenic sources. However, the complexity of urban environments and the large amount of data recorded by DAS require automated methods to efficiently detect and categorize anthropogenic sources. Here, we evaluate how well three machine learning models (k‐nearest neighbor [k‐NN], convolutional neural networks, and recurrent‐convolutional neural networks) can identify various anthropogenic sources recorded by DAS. Our findings reveal that both k‐NN and neural network methods perform well in high signal‐to‐noise ratio (SNR) settings. However, their accuracy decreases at SNRs <4. We also use Kalman filtering, a form of Bayesian inference, on backprojected locations of these sources to recover locations that generally fall within standard smartphone Global Positioning System errors. By combining machine learning and Kalman filter results, we calculate a multidimensional model of moving anthropogenic sources. These results demonstrate the potential of DAS data in urban seismology for accurately identifying and locating such sources. Depending on the research objectives, these sources can be further studied or filtered out to improve the quality of seismic data for earthquake studies. Such methods provide a valuable tool for urban seismology and seismic hazard analysis.

Luckie, Thomas William [Sandia National Laboratori↗

Short-term nodal load forecasting based on machine learning techniques

This paper introduces an advanced Short-term Nodal Load Forecasting (STNLF) method that forecasts nodal load profiles for the next day in power systems, based on the combined use of three machine learning techniques. Least Absolute Shrinkage and Selection Operator (LASSO) is employed to reduce the number of features for a single nodal load forecasting. Principal Component Analysis (PCA) is used to capture the features of historical loads in low-dimensional space compared to the original high-dimensional load space where features are barely possible to depict. Additionally, Bayesian Ridge Regression (BRR) is utilized to decide the parameters of the prediction model from a statistics perspective. Tests based on modified PJM load data demonstrate the effectiveness of the proposed STNLF method compared to the state-of-the-art General Regression Neural Network (GRNN) method. Moreover, the reliability of the day-ahead Unit Commitment (UC) solution is shown to have been improved, based on the forecasted load data using the proposed STNLF method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Robustness of Deep Learning Classification to Adversarial Input on GPUs: Asynchronous Parallel Accumulation Is a Source of Vulnerability

The ability of machine learning (ML) classification models to resist small, targeted input perturbations—known as adversarial attacks—is a key measure of their safety and reliability. We show that floating-point non associativity (FPNA) coupled with asynchronous parallel programming on GPUs is sufficient to result in misclassification, without any perturbation to the input. Additionally, we show that this misclassification is particularly significant for inputs close to the decision boundary and that standard adversarial robustness results may be overestimated up to 4.6 when not considering machine-level details. We first study a linear classifier, before focusing on standard Graph Neural Network (GNN) architectures and datasets used in robustness assessments. We develop a novel black-box attack using Bayesian optimization to discover external workloads that can change the instruction scheduling which bias the output of reductions on GPUs and reliably lead to misclassification. Motivated by these results, we present a new learnable permutation (LP) gradient-based approach to learning floating-point operation orderings that lead to misclassifications. The LP approach provides a worst-case estimate in a computationally efficient manner, avoiding the need to run identical experiments tens of thousands of times over a potentially large set of possible GPU states or architectures. Finally, using instrumentation-based testing, we investigate parallel reduction ordering across different GPU architectures under external background workloads, when utilizing multi-GPU virtualization, and when applying power capping. Our results demonstrate that parallel reduction ordering varies significantly across architectures under the first two conditions, substantially increasing the search space required to fully test the effects of this parallel scheduler-based vulnerability. These results and the methods developed here can help to include machine-level considerations into adversarial robustness assessments, which can make a difference in safety and mission critical applications.

Shanmugavelu, Sanjif [Maxeler Technologies, a Groq↗

KMT-2016-BLG-1836Lb: A Super-Jovian Planet from a High-cadence Microlensing Field

We report the discovery of a super-Jovian planet in the microlensing event KMT-2016-BLG-1836, which was found by the Korea Microlensing Telescope Network (KMTNet) high-cadence observations (Γ~4 hr -1 ). The planet–host mass ratio q ~ 0.004. A Bayesian analysis indicates that the planetary system is composed of a super-Jovian M{ planet =2.2 -1.1 +1.9 M J planet orbiting an M or K dwarf, M{ host =0.49 -0.25 0.38 M ⊙ , at a distance of D L =7.1 -2.4} +0.8 kpc. The projected planet–host separation is 3.5 -0.9 +1.1 au, implying that the planet is located beyond the snow line of the host star. Future high-resolution images can potentially strongly constrain the lens brightness and thus the mass and distance of the planetary system. Without considering detailed detection efficiency, selection, or publication biases, we find a potential mass-ratio desert at -3.7 ≲ log q ≲ -3.0 for the 31 published KMTNet planets.

79 ASTRONOMY AND ASTROPHYSICS↗

Dislocation model for aseismic crustal deformation at Hollister, California

A model of crustal deformation during the interseismic phase is developed and applied (using the improved Bayesian inversion algorithm described by Jackson and Matsu'ura, 1985) to trilateration data for the USGS Hollister (CA) network. In the model, rigid blocks in motion relative to each other experience friction only in a brittle upper zone, while their ductile lower zones slide freely; the Hollister model comprises five blocks and nine rectangular fault patches. The data and results are presented in tables, graphs, and maps and characterized in detail. The model predicts steady block motion on time scales between 10 yr and 1 Myr, with net motion across the San Andreas/Calaveras fault system 38 + or - 3 mm/yr and brittle/ductile transition depths ranging from 0.4 to 11 km. Two San Andreas segments with higher probabilities of moderate-to-large earthquakes are identified.

Matsuura, Mitsuhiro↗

Evaluating the limitations of Bayesian metabolic control analysis

AbstractBayesian Metabolic Control Analysis (BMCA) has emerged as a promising framework for inferring metabolic control coefficients in data-limited scenarios by integrating Bayesian inference with linlog rate laws. However, its predictive accuracy and limitations remain underexplored. This study systematically evaluates BMCA’s ability to infer elasticity values, flux control coefficients (FCCs), and concentration control coefficients (CCCs) under varying data availability conditions using three synthetic metabolic network models. Our findings highlight the strengths and weaknesses of BMCA, guiding its application in metabolic engineering and emphasizing the need for methodological refinements.Author summaryUnderstanding how enzymes control metabolic pathways is crucial for optimizing biomanufacturing and synthetic biology applications. Bayesian Metabolic Control Analysis (BMCA) is a promising computational method that integrates Bayesian inference with metabolic control analysis to estimate key control parameters, even in cases with limited experimental data. However, the accuracy and limitations of BMCA remain unclear. In this study, we systematically evaluate BMCA using three synthetic metabolic networks to determine how different types of physiological data impact its predictive performance. We find that BMCA requires flux and enzyme concentration data for accurate predictions, while external metabolite concentrations contribute little. Additionally, BMCA fails to predict elasticity values beyond a magnitude of 1.5 and reliably infer allosteric regulation, even when strong regulatory interactions exist. In addition, BMCA does not accurately rank metabolic control points, which may limit its utility in identifying key enzymes in engineered pathways. Our work provides practical insights into when and how BMCA can be applied, guiding future research in metabolic modeling and control analysis.

Shin, Janis (ORCID:0000000216572455)↗

Source localization for neutron imaging systems using convolutional neural networks

The nuclear imaging system at the National Ignition Facility (NIF) is a crucial diagnostic for determining the geometry of inertial confinement fusion implosions. The geometry is reconstructed from a neutron aperture image via a set of reconstruction algorithms using an iterative Bayesian inference approach. An important step in these reconstruction algorithms is finding the fusion source location within the camera field-of-view. Currently, source localization is achieved via an iterative optimization algorithm. In this paper, we introduce a machine learning approach for source localization. Specifically, we train a convolutional neural network to predict source locations given a neutron aperture image. We show that this approach decreases computation time by several orders of magnitude compared to the current optimization-based source localization while achieving similar accuracy on both synthetic data and a collection of recent NIF deuterium–tritium shots.

47 OTHER INSTRUMENTATION↗

Source localization for neutron imaging systems using convolutional neural networks

The nuclear imaging system at the National Ignition Facility (NIF) is a crucial diagnostic for determining the geometry of inertial confinement fusion implosions. The geometry is reconstructed from a neutron aperture image via a set of reconstruction algorithms using an iterative Bayesian inference approach. An important step in these reconstruction algorithms is finding the fusion source location within the camera field-of-view. Currently, source localization is achieved via an iterative optimization algorithm. In this paper, we introduce a machine learning approach for source localization. Specifically, we train a convolutional neural network to predict source locations given a neutron aperture image. We show that this approach decreases computation time by several orders of magnitude compared to the current optimization-based source localization while achieving similar accuracy on both synthetic data and a collection of recent NIF deuterium–tritium shots.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Machine-learning-based inversion of nuclear responses

A microscopic description of the interaction of atomic nuclei with external electroweak probes is required for elucidating aspects of short-range nuclear dynamics and for the correct interpretation of neutrino oscillation experiments. Nuclear quantum Monte Carlo methods infer the nuclear electroweak response functions from their Laplace transforms. Inverting the Laplace transform is a notoriously ill-posed problem; and Bayesian techniques, such as maximum entropy, are typically used to reconstruct the original response functions in the quasielastic region. In this work, we present a physics-informed artificial neural network architecture suitable for approximating the inverse of the Laplace transform. Utilizing simulated, albeit realistic, electromagnetic response functions, we show that this physics-informed artificial neural network outperforms maximum entropy in both the low-energy transfer and the quasielastic regions, thereby allowing for robust calculations of electron scattering and neutrino scattering on nuclei and inclusive muon capture rates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Monte Carlo goodness-of-fit tests for degree corrected and related stochastic blockmodels

Abstract We construct Bayesian and frequentist finite-sample goodness-of-fit tests for three different variants of the stochastic blockmodel for network data. Since all of the stochastic blockmodel variants are log-linear in form when block assignments are known, the tests for the latent block model versions combine a block membership estimator with the algebraic statistics machinery for testing goodness-of-fit in log-linear models. We describe Markov bases and marginal polytopes of the variants of the stochastic blockmodel and discuss how both facilitate the development of goodness-of-fit tests and understanding of model behaviour. The general testing methodology developed here extends to any finite mixture of log-linear models on discrete data, and as such is the first application of the algebraic statistics machinery for latent-variable models.

Karwa, Vishesh↗

PINNSTRIPES (Physics-Informed Neural Network SurrogaTe for Rapidly Identifying Parameters in Energy Systems) [SWR-22-12]

Energy systems models typically take the form of complex partial differential equations which make multiple forward calculations prohibitively expensive. Fast and data-efficient construction of surrogate models is of utmost importance for applications that require parameter exploration such as design optimization and Bayesian calibration. In presence of a large number of parameters, surrogate models that capture correct dependencies may be difficult to construct with traditional techniques. The issue is addressed here with the formulation of the surrogate model constructed via Physics-Informed Neural Networks (PINN) which capture the dependence with respect to the parameters to estimate, while using a limited amount of data. Since forward evaluations of the surrogate model are cheap, parameter exploration is made inexpensive, even when considering a large number of parameters.

Hassanaly, Malik↗

Radiation Source Localization Using Surrogate Models Constructed from 3-D Monte Carlo Transport Physics Simulations

Recent research has focused on the development of surrogate models for radiation source localization in a simulated urban domain. We employ the Monte Carlo N-Particle (MCNP) code to provide high- delity simulations of radiation transport within an urban domain. The model is constructed to employ a source location (x, y, z) as input and return the estimated count rate for a set of speci ed detector locations. Because MCNP simulations are computationally expensive, we develop e cient and accurate surrogate models of the detector responses. We construct surrogate models using Gaussian processes (GP) and neural networks (NN) that we train and verify using the MCNP simulations. The trained surrogate models provide an e cient framework for Bayesian inference and experimental design. We employ Delayed Rejection Adaptive Metropolis (DRAM), a Markov Chain Monte Carlo (MCMC) algorithm, to infer the location and intensity of an unknown source. The DRAM results yield a posterior probability distribution for the source's location conditioned on the observed detector count rates. The posterior distribution exhibits regions of high and low probability within the simulated environment identifying potential source locations. In this manner, we can quantify the source location to within at least one of these regions of high probability in the considered cases. Employing these methods, we are able to reduce the space of potential source locations by at least 60%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Investigating the effects of precise mass measurements of Ru and Pd isotopes on machine learning mass modeling

Atomic masses are a foundational quantity in our understanding of nuclear structure, astrophysics, and fundamental symmetries. The longstanding goal of creating a predictive global model for the binding energy of a nucleus remains a significant challenge, however, and prompts the need for precise measurements of atomic masses to serve as anchor points for model developments. We present precise mass measurements of neutron-rich Ru and Pd isotopes performed at the Californium Rare Isotope Breeder Upgrade facility at Argonne National Laboratory using the Canadian Penning Trap mass spectrometer. The masses of 108 Ru, 110 Ru, and 116 Pd were measured to a relative mass precision $\delta$⁢$m/m$ ≈ 10 -8 via the phase-imaging ion-cyclotron-resonance technique, and represent an improvement of approximately an order of magnitude over previous measurements. Further, these mass data were used in conjunction with the physically interpretable machine learning (PIML) model, which uses a mixture density neural network to model mass excesses via a mixture of Gaussian distributions. The effects of our new mass data on a Bayesian-updating of a PIML model are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Deriving cloud droplet number concentration from surface-based remote sensors with an emphasis on lidar measurements

Abstract. Given the importance of constraining cloud droplet number concentrations (Nd) in low-level clouds, we explore two methods for retrieving Nd from surface-based remote sensing that emphasize the information content in lidar measurements. Because Nd is the zeroth moment of the droplet size distribution (DSD), and all remote sensing approaches respond to DSD moments that are at least 2 orders of magnitude greater than the zeroth moment, deriving Nd from remote sensing measurements has significant uncertainty. At minimum, such algorithms require the extrapolation of information from two other measurements that respond to different moments of the DSD. Lidar, for instance, is sensitive to the second moment (cross-sectional area) of the DSD, while other measures from microwave sensors respond to higher-order moments. We develop methods using a simple lidar forward model that demonstrates that the depth to the maximum in lidar-attenuated backscatter (Rmax⁡) is strongly sensitive to Nd when some measure of the liquid water content vertical profile is given or assumed. Knowledge of Rmax⁡ to within 5 m can constrain Nd to within several tens of percent. However, operational lidar networks provide vertical resolutions of > 15 m, making a direct calculation of Nd from Rmax⁡ very uncertain. Therefore, we develop a Bayesian optimal estimation algorithm that brings additional information to the inversion such as lidar-derived extinction and radar reflectivity near the cloud top. This statistical approach provides reasonable characterizations of Nd and effective radius (re) to within approximately a factor of 2 and 30 %, respectively. By comparing surface-derived cloud properties with MODIS satellite and aircraft data collected during the MARCUS and CAPRICORN II campaigns, we demonstrate the utility of the methodology.

54 ENVIRONMENTAL SCIENCES↗

Model-Form Epistemic Uncertainty Quantification for Modeling with Differential Equations: Application to Epidemiology

Modeling real-world phenomena to any degree of accuracy is a challenge that the scientific research community has navigated since its foundation. Lack of information and limited computational and observational resources necessitate modeling assumptions which, when invalid, lead to model-form error (MFE). The work reported herein explored a novel method to represent model-form uncertainty (MFU) that combines Bayesian statistics with the emerging field of universal differential equations (UDEs). The fundamental principle behind UDEs is simple: use known equational forms that govern a dynamical system when you have them; then incorporate data-driven approaches – in this case neural networks (NNs) – embedded within the governing equations to learn the interacting terms that were underrepresented. Utilizing epidemiology as our motivating exemplar, this report will highlight the challenges of modeling novel infectious diseases while introducing ways to incorporate NN approximations to MFE. Prior to embarking on a Bayesian calibration, we first explored methods to augment the standard (non-Bayesian) UDE training procedure to account for uncertainty and increase robustness of training. In addition, it is often the case that uncertainty in observations is significant; this may be due to randomness or lack of precision in the measurement process. This uncertainty typically manifests as “noisy” observations which deviate from a true underlying signal. To account for such variability, the NN approximation to MFE is endowed with a probabilistic representation and is updated using available observational data in a Bayesian framework. By representing the MFU explicitly and deploying an embedded, data-driven model, this approach enables an agile, expressive, and interpretable method for representing MFU. In this report we will provide evidence that Bayesian UDEs show promise as a novel framework for any science-based, data-driven MFU representation; while emphasizing that significant advances must be made in the calibration of Bayesian NNs to ensure a robust calibration procedure.

97 MATHEMATICS AND COMPUTING↗

Latent map Gaussian processes for mixed variable metamodeling

Gaussian processes (GPs) are ubiquitously used in sciences and engineering as metamodels. Standard GPs, however, can only handle numerical or quantitative variables. Here we introduce latent map Gaussian processes (LMGPs) that inherit the attractive properties of GPs and are also applicable to mixed data which have both quantitative and qualitative inputs. The core idea behind LMGPs is to learn a continuous, low-dimensional latent space or manifold which encodes all qualitative inputs. To learn this manifold, we first assign a unique prior vector representation to each combination of qualitative inputs. We then use a low-rank linear map to project these priors on a manifold that characterizes the posterior representations. As the posteriors are quantitative, they can be directly used in any standard correlation function such as the Gaussian or Matern. Hence, the optimal map and the corresponding manifold, along with other hyperparameters of the correlation function, can be systematically learned via maximum likelihood estimation. Through a wide range of analytic and real-world examples, we demonstrate the advantages of LMGPs over state-of-the-art methods in terms of accuracy and versatility. In particular, we show that LMGPs can handle variable-length inputs, have an explainable neural network interpretation, and provide insights into how qualitative inputs affect the response or interact with each other. We also employ LMGPs in Bayesian optimization and illustrate that they can discover optimal compound compositions more efficiently than conventional methods that convert compositions to qualitative variables via manual featurization.

42 ENGINEERING↗

Ancilla-assisted process tomography of a deployed fiber link

We perform ancilla-assisted process tomography over a deployed 1.6 km fiber-optic link using Bayesian inference, confirming a stable, high-fidelity polarization channel. Overall, our approach should offer value for in situ analyses of entanglement networks.

Rahman, Arefur [Arizona State University]↗

Bayesian Tensor Decompositions for Scalable Supervised Learning of Scientific Data (Final Report)

In this document we highlight the detailed accomplishments and progress that we have made in this period. This progress seeks to address the three main objectives to provide new algorithms for quantifying uncertainty in low-multilinear-rank models and to leverage them for data analysis. These include: (1) develop probabilistic models for low-multilinear-rank functions; (2) develop a suite of Bayesian learning approaches to learn the probabilistic models from data; (3) apply the techniques on challenging problems arising in DOE-relevant applications.

97 MATHEMATICS AND COMPUTING↗