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At least 469 records · Page 26

Scalable Risk Assessment of Rare Events in Power Systems With Uncertain Wind Generation and Loads

Risk assessment of rare events has become increasingly important in power system planning and operation with the increasing integration of renewable energy and the presence of system uncertainties. However, quantifying the risk posed by rare events via the traditional method, i.e., Monte Carlo sampling (MCS), incurs substantial computational expense stemming from the vast ensemble of power flow simulations. To accelerate the assessment, this paper proposes a Deep Neural Network (DNN)-kernelized vector-valued Gaussian Process (VVGP) approach with excellent computational efficiency while maintaining high accuracy. Consequently, serving as a surrogate model for the power flow solver, the DNN-kernelized VVGP enables significantly faster but accurate risk assessment compared to the power flow solver. The developed surrogate model evaluates low-order N - k events that contain more than 90% instances by adeptly capturing the topological features while the high-order N - k events are assessed via a power flow solver, thereby striking a balance between computational efficiency and uncertainty quantification accuracy. Moreover, the model incorporates a Support Vector Machine (SVM) classifier to resample concerning low-probability tail events to counteract the biases potentially introduced during the DNN-kernelized VVGP evaluations. Simulations conducted on the modified IEEE 24-bus, 118-bus, and European 1354-bus systems demonstrate that the proposed method maintains the accuracy benchmark set by MCS while significantly reducing computational demands in large-scale power systems as compared to other state-of-the-art methods.

17 WIND ENERGY↗

GP-BayesOpInf

SAND2025-01851O GP-BayesOpInf is a software tool that uses algorithms to combine Gaussian process regression, principal component analysis, and linear Bayesian inference to produce a probabilistic reduced-order model for time-dependent systems. Numerical examples include the compressible Euler equations for an ideal gas, a heat diffusion process with a nonlinear reaction term, and a set of ordinary differential equations describing a compartmental model in epidemiology. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

Simulation of Inflated Pahoehoe Lava Flows

A new stochastic model simulates late-stage pahoehoe lobes where random processes dominate emplacement. The model prescribes probabilistic rules for determining where and when parcels of lava move within the lobe. Unlike a classical Brownian motion random walk, the model allows individual parcels to remain dormant, but fluid, for multiple time steps. The randomness of parcel volume transfers within the lobe interior as well as at the margins qualitatively reflects inflation processes observed in the field. The fraction of inflated volume to total volume increases with the total volume, with greater than 75% of the lobe volume contributed through inflation for typical lobes. The influence on planform shape and topographic cross-sectional profiles of total volume, source area and shape, topographic confinement, and sequential breakouts at the lobe margins, are all explored with the stochastic model. Each of these factors influences the overall lobe thickness and width. The model provides a means for assessing the relative importance of these processes through comparisons with field data. For the first time, Gaussian and parabolic functions are quantitatively fit to field measurements of pahoehoe lobes. Both functional forms provide adequate description of the cross-sectional flow shapes. When comparing simulated lobes to field data, sequential breakouts at the lobe margins are found to be an important process controlling the final topographic distribution of observed pahoehoe lobes.

modeling↗

Industrial battery operation and utilization in the presence of electrical load uncertainty using Bayesian decision theory

Behind the meter battery storage is becoming increasing popular in all sectors, though enthusiasm has recently lagged in the industrial sector. Even though there may be many factors contributing to this including lack of innovation, prohibitive costs, and undesirable rate structures, a difficulty arises in accounting for uncertainty of electrical load in industrial facilities while still attempting to utilize battery storage as much as possible all while trying to achieve fiscal profitability. Here this study utilizes Gaussian process regression and Bayesian decision theory to organize load data and quantify electrical load uncertainty to properly and effectively discharge industrial battery storage. The study employs a simulation model to set battery load setpoints for the span of the utility billing period according to the degree of risk aversion. This combination of economic analysis according to utility billing period and utilization of degree of risk aversion to make decisions on the uncertainty of the data has not before been applied to battery storage. The method resulted in an annual average reduction of peak demand by 3.8 % at the lowest amount of savings and lowest risk aversion. The highest risk aversion resulted in an annual average reduction of peak demand of 7.5 %. The maximum reduction of peak load in any month was 13.8 % in the month of December with a relatively high risk aversion. With a the highest amount risk aversion tested, the model reduced demand ten of the twelve months of the year.

25 ENERGY STORAGE↗

Uncertainty Aware Deep Learning for Particle Accelerators

Standard deep learning models for classification and regression applications are ideal for capturing complex system dynamics. However, their predictions can be arbitrarily inaccurate when the input samples are not similar to the training data. Implementation of distance aware uncertainty estimation can be used to detect these scenarios and provide a level of confidence associated with their predictions. In this paper, we present results from using Deep Gaussian Process Approximation (DGPA) methods for errant beam prediction at Spallation Neutron Source (SNS) accelerator (classification) and we provide an uncertainty aware surrogate model for the Fermi National Accelerator Lab (FNAL) Booster Accelerator Complex (regression).

Rajput, Kishansingh↗

Covariate Dependent Sparse Functional Data Analysis

This study proposes a method to incorporate covariate information into sparse functional data analysis. The method aims at cases where each subject has a limited number of longitudinal measurements and is associated with static covariates. This research is motivated by several use cases in practice. One representative example is void swelling, a nuclear-specific material degradation mechanism. Void swelling is affected by many covariates, including alloy composition and irradiation type. How to accurately model the complicated joint effects of such covariates on the swelling process is the key to mitigating the effect of swelling and ensuring safe operation. Unlike most of the existing methods, the proposed method can handle high-dimensional covariates with the informative covariate identification procedure and sparse and irregularly spaced measurements, that is, does not require complete or dense observations. The main innovation of the proposed method is that we model the variation coming from covariates and the variation left conditioned on covariates, such that the functional principal component analysis and Gaussian process can be conducted in a unified manner. Further, we also propose a systematic approach to identify important covariates in the hypothesis testing context. The methodology is demonstrated on applications in nuclear engineering and healthcare and simulation studies.

42 ENGINEERING↗

Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt

Abstract Atomistic modeling of chemically reactive systems has so far relied on either expensive ab initio methods or bond-order force fields requiring arduous parametrization. Here, we describe a Bayesian active learning framework for autonomous “on-the-fly” training of fast and accurate reactive many-body force fields during molecular dynamics simulations. At each time-step, predictive uncertainties of a sparse Gaussian process are evaluated to automatically determine whether additional ab initio training data are needed. We introduce a general method for mapping trained kernel models onto equivalent polynomial models whose prediction cost is much lower and independent of the training set size. As a demonstration, we perform direct two-phase simulations of heterogeneous H 2 turnover on the Pt(111) catalyst surface at chemical accuracy. The model trains itself in three days and performs at twice the speed of a ReaxFF model, while maintaining much higher fidelity to DFT and excellent agreement with experiment.

42 ENGINEERING↗

Astrophysical Constraints on the Symmetry Energy and the Neutron Skin of 208 Pb with Minimal Modeling Assumptions

The symmetry energy and its density dependence are crucial inputs for many nuclear physics and astrophysics applications, as they determine properties ranging from the neutron-skin thickness of nuclei to the crust thickness and the radius of neutron stars. Recently, PREX-II reported a value of 0.283 ± 0.071 fm for the neutron-skin thickness of 208 Pb, implying a slope parameter L = 106 ± 37 MeV, larger than most ranges obtained from microscopic calculations and other nuclear experiments. We use a nonparametric equation of state representation based on Gaussian processes to constrain the symmetry energy S 0 , L, and $R^{^{208}Pb}_{skin}$ directly from observations of neutron stars with minimal modeling assumptions. The resulting astrophysical constraints from heavy pulsar masses, LIGO/Virgo, and NICER clearly favor smaller values of the neutron skin and L, as well as negative symmetry incompressibilities. Finally, combining astrophysical data with PREX-II and chiral effective field theory constraints yields S 0 = $33.0^{+2.0}_{-1.8}$ MeV , L = $53^{+14}_{-15}$ MeV, and $R^{^{208}Pb}_{skin} = 0.17^{+0.04}_{-0.04}$ fm.

79 ASTRONOMY AND ASTROPHYSICS↗

Self-focusing of cosh-Gaussian laser beam and its effect on the excitation of ion-acoustic wave and stimulated Brillouin backscattering in collisionless plasma

An analytical and numerical study has been carried out for self-focusing of an intense cosh-Gaussian laser beam in collisionless plasma and its impact on the excitation of ion-acoustic wave and stimulated Brillouin backscattering process. The analytical model has been developed under Wentzel–Kramers–Brillouin and paraxial ray approximations. The nonlinearities of ponderomotive force on electron and the relativistic oscillation of the electron mass have been used in this study. The nonlinear differential equations have been set up for the beam width parameters of the main beam, ion-acoustic wave, backscattered wave and back reflectivity of stimulated Brillouin scattering (SBS). These equations have been solved numerically for different values of decentred parameter (b), relative plasma density (ω{sub p0}/ω{sub 0}) and incident laser intensity (a). The results have been compared with only relativistic nonlinearity and Gaussian profile of laser beam. The focusing of laser beam, ion-acoustic wave and scattered wave are found to be strong under relativistic-ponderomotive regime compared to only relativistic regime. Further, it is observed that focusing/intensity of main laser beam, ion acoustic wave and SBS back reflectivity increases with increasing the values of b and ω{sub p0}/ω{sub 0}. Itis also found that back reflectivity of SBS process gets suppressed with the increase in the value of a. This study may be useful in laser induced fusion scheme where back scattering of SBS plays very important role.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A hydrodynamic approach to cosmology - Texture-seeded cold dark matter and hot dark matter cosmogonies

Hydrodynamical simulations of galaxy formation in a texture-seeded cosmology are presented, with attention given to Omega = 1 galaxies dominated by both hot dark matter (HDM) and cold dark matter (CDM). The simulations include both gravitational and hydrodynamical physics with a detailed treatment of collisional and radiative thermal processes, and use a cooling criterion to estimate galaxy formation. Background radiation fields and Zel'dovich-Sunyaev fluctuations are explicitly computed. The derived galaxy mass function is well fitted by the observed Schechter luminosity function for a baryonic M/L of 3 and total M/L of 60 in galaxies. In both HDM and CDM texture scenarios, the 'galaxies' and 'clusters' are significantly more strongly correlated than the dark matter due to physical bias processes. The slope of the correlation function in both cases is consistent with observations. In contrast to Gaussian models, peaks in the dark matter density distributrion are less correlated than average.

Cen, R. Y.↗

Detailed examination of astrophysical constraints on the symmetry energy and the neutron skin of 208 Pb with minimal modeling assumptions

We report the symmetry energy and its density dependence are pivotal for many nuclear physics and astrophysics applications, as they determine properties ranging from the neutron-skin thickness of nuclei to the crust thickness and the radius of neutron stars. Recently, PREX-II reported a value of 0.283 ± 0.071 fm for the neutron-skin thickness of 208 Pb, $R^{^{208}Pb}_{skin}$, implying a symmetry-energy slope parameter L of 106 ± 37 MeV, larger than most ranges obtained from microscopic calculations and other nuclear experiments. We use a nonparametric equation of state representation based on Gaussian processes to constrain the symmetry energy S 0 , L, and $R^{^{208}Pb}_{skin}$ directly from observations of neutron stars with minimal modeling assumptions. The resulting astrophysical constraints from heavy pulsar masses, LIGO/Virgo, and NICER favor smaller values of the neutron skin and L, as well as negative symmetry incompressibilities. Combining astrophysical data with chiral effective field theory (χEFT) and PREX-II constraints yields S 0 = 33.0$^{+2.0}_{-1.8}$ MeV, L = 53$^{+14}_{-15}$ MeV, and $R^{^{208}Pb}_{skin}$ = 0.17 $^{+0.04}_{-0.04}$ fm. We also examine the consistency of several individual χEFT calculations with astrophysical observations and terrestrial experiments. We find that there is only mild tension between χ EFT, astrophysical data, and PREX-II's $R^{^{208}Pb}_{skin}$ measurement (p value = 12.3%) and that there is excellent agreement between χEFT, astrophysical data, and other nuclear experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗

Equivalent linearization for fatigue life estimates of a nonlinear structure

An analysis is presented of the suitability of the method of equivalent linearization for estimating the fatigue life of a nonlinear structure. Comparisons are made of the fatigue life of a nonlinear plate as predicted using conventional equivalent linearization and three other more accurate methods. The excitation of the plate is assumed to be Gaussian white noise and the plate response is modeled using a single resonant mode. The methods used for comparison consist of numerical simulation, a probabalistic formulation, and a modification of equivalent linearization which avoids the usual assumption that the response process is Gaussian. Remarkably close agreement is obtained between all four methods, even for cases where the response is significantly linear.

Miles, R. N.↗

Equivalent linearization for fatigue life estimates of a nonlinear structure

An analysis is presented of the suitability of the method of equivalent linearization for estimating the fatigue life of a nonlinear structure. Comparisons are made of the fatigue life of a nonlinear plate as predicted using conventional equivalent linearization and three other more accurate methods. The excitation of the plate is assumed to be Gaussian white noise and the plate response is modeled using a single resonant mode. The methods used for comparison consist of numerical simulation, a probabilistic formulation, and a modification of equivalent linearization which avoids the usual assumption that the response process is Gaussian. Remarkably close agreement is obtained between all four methods, even for cases where the response is significantly linear.

Miles, R. N.↗

Co-orchestration of multiple instruments to uncover structure–property relationships in combinatorial libraries

The rapid growth of automated and autonomous instrumentation brings forth opportunities for the co-orchestration of multimodal tools that are equipped with multiple sequential detection methods or several characterization techniques to explore identical samples. This is exemplified by combinatorial libraries that can be explored in multiple locations via multiple tools simultaneously or downstream characterization in automated synthesis systems. In co-orchestration approaches, information gained in one modality should accelerate the discovery of other modalities. Correspondingly, an orchestrating agent should select the measurement modality based on the anticipated knowledge gain and measurement cost. Herein, we propose and implement a co-orchestration approach for conducting measurements with complex observables, such as spectra or images. The method relies on combining dimensionality reduction by variational autoencoders with representation learning for control over the latent space structure and integration into an iterative workflow via multi-task Gaussian Processes (GPs). This approach further allows for the native incorporation of the system's physics via a probabilistic model as a mean function of the GPs. We illustrate this method for different modes of piezoresponse force microscopy and micro-Raman spectroscopy on a combinatorial Sm-BiFeO3 library. However, the proposed framework is general and can be extended to multiple measurement modalities and arbitrary dimensionality of the measured signals.

47 OTHER INSTRUMENTATION↗

Machine learning-assisted profiling of a kinked ladder polymer structure using scattering

Ladder polymers consisting of fused rings in the backbone have very limited conformational freedom, which results in very different properties from traditional linear polymers. However, accurately determining their size and chain conformations from solution scattering remains a challenge. Their chain conformations of kinked ladder polymers are largely governed by the structures and relative orientations or configurations of the repeat units, unlike conventional polymer chains whose bending angles between repeat units follow a unimodal Gaussian distribution. Meanwhile, traditional scattering models for polymer chains do not account for these unique structural features. This work introduces a novel approach that integrates machine learning with Monte Carlo simulations to construct a model that can describe the geometry of a type of kinked CANAL ladder polymers. We first develop a Monte Carlo simulation model for sampling the configuration space of CANAL ladder polymers, where each repeat unit is modeled as a biaxial segment. Then, we establish a machine learning-assisted scattering analysis framework based on Gaussian Process Regression. Finally, we conduct small-angle neutron scattering experiments on a CANAL ladder polymer solution to apply our approach. Our method uncovers structural features of such ladder polymers that conventional methods fail to capture.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗

The Atacama Cosmology Telescope: DR6 power spectrum foreground model and validation

We discuss the model of astrophysical emission at millimeter wavelengths used to characterize foregrounds in the multi-frequency power spectra of the Atacama Cosmology Telescope (ACT) Data Release 6 (DR6), expanding on Louis et al. (2025) (2503.14452). We detail several tests to validate the capability of the DR6 parametric foreground model to describe current observations and complex simulations, and show that cosmological parameter constraints are robust against model extensions and variations. We demonstrate consistency of the model with pre-DR6 ACT data and observations from Planck and the South Pole Telescope. We evaluate the implications of using different foreground templates and extending the model with new components and/or free parameters. In all scenarios, the DR6 ΛCDM and ΛCDM+N eff cosmological parameters shift by less than 0.5σ relative to the baseline constraints. Some foreground parameters shift more; we estimate their systematic uncertainties associated with modeling choices. From our constraint on the kinematic Sunyaev-Zel'dovich power, we obtain a conservative limit on the duration of reionization of Δz rei < 4.4, assuming a reionization midpoint consistent with optical depth measurements and a minimal low-redshift contribution, with varying assumptions for this component leading to tighter limits. Finally, we analyze realistic non-Gaussian, correlated microwave sky simulations containing Galactic and extragalactic foreground fields, built independently of the DR6 parametric foreground model. Processing these simulations through the DR6 power spectrum and likelihood pipeline, we recover the input cosmological parameters of the underlying cosmic microwave background field, a new demonstration for small-scale CMB analysis. These tests validate the robustness of the ACT DR6 foreground model and cosmological parameter constraints.

CMBR experiments↗

Thinking Bayesian for plasma physicists

Bayesian statistics offers a powerful technique for plasma physicists to infer knowledge from the heterogeneous data types encountered. To explain this power, a simple example, Gaussian Process Regression, and the application of Bayesian statistics to inverse problems are explained. The likelihood is the key distribution because it contains the data model, or theoretic predictions, of the desired quantities. By using prior knowledge, the distribution of the inferred quantities of interest based on the data given can be inferred. Because it is a distribution of inferred quantities given the data and not a single prediction, uncertainty quantification is a natural consequence of Bayesian statistics. The benefits of machine learning in developing surrogate models for solving inverse problems are discussed, as well as progress in quantitatively understanding the errors that such a model introduces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Near-Infrared Spectroscopy can Predict Anatomical Abundance in Corn Stover

Feedstock heterogeneity is a key challenge impacting the deconstruction and conversion of herbaceous lignocellulosic biomass to biobased fuels, chemicals, and materials. Upstream processing to homogenize biomass feedstock streams into their anatomical components via air classification allows for a more tailored approach to subsequent mechanical and chemical processing. Here, we show that differing corn stover anatomical tissues respond differently to pretreatment and enzymatic hydrolysis and therefore, a one-size-fits-all approach to chemical processing biomass is inappropriate. To inform on-line downstream processing, a robust and high-throughput analytical technique is needed to quantitatively characterize the separated biomass. Predictive correlation of near-infrared spectra to biomass chemical composition is such a technique. Here, we demonstrate the capability of models developed using an “off-the-shelf,” industrially relevant spectrometer with limited spectral range to make strong predictions of both cell wall chemical composition and the relative abundance of anatomical components of the corn stover, the latter for the first time ever. Gaussian process regression (GPR) yields stronger correlations (average R 2 v = 88% for chemical composition and 95% for anatomical relative abundance) than the more commonly used partial least squares (PLS) regression (average R 2 v = 84% for chemical composition and 92% for anatomical relative abundance). In nearly all cases, both GPR and PLS outperform models generated using neural networks. These results highlight the potential for coupling NIRS with predictive models based on GPR due to the potential to yield more robust correlations.

09 BIOMASS FUELS↗