Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “MCMC”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 109 records · Page 6

Calibration verification for stochastic agent-based disease spread models

Accurate disease spread modeling is crucial for identifying the severity of outbreaks and planning effective mitigation efforts. To be reliable when applied to new outbreaks, model calibration techniques must be robust. However, current methods frequently forgo calibration verification (a stand-alone process evaluating the calibration procedure) and instead use overall model validation (a process comparing calibrated model results to data) to check calibration processes, which may conceal errors in calibration. In this work, we develop a stochastic agent-based disease spread model to act as a testing environment as we test two calibration methods using simulation-based calibration, which is a synthetic data calibration verification method. The first calibration method is a Bayesian inference approach using an empirically-constructed likelihood and Markov chain Monte Carlo (MCMC) sampling, while the second method is a likelihood-free approach using approximate Bayesian computation (ABC). Simulation-based calibration suggests that there are challenges with the empirical likelihood calculation used in the first calibration method in this context. These issues are alleviated in the ABC approach. Despite these challenges, we note that the first calibration method performs well in a synthetic data model validation test similar to those common in disease spread modeling literature. We conclude that stand-alone calibration verification using synthetic data may benefit epidemiological researchers in identifying model calibration challenges that may be difficult to identify with other commonly used model validation techniques.

60 APPLIED LIFE SCIENCES↗

Official data release for Bayes 2022 paper, arXiv:2311.07835

Official data release to accompany the first NOvA Bayesian results paper, https://arxiv.org/abs/2311.07835. The included `README.md` below describes the contents more fully, but in short, included here are: * A `README.md` describing the files * Four `.root` files containing marginal posterior densities in neutrino oscillation parameters, and associated 1D and 2D credible regions derived from them * One `.root` file containing a `TTree` with Markov Chain Monte Carlo samples, which can be used to recreate the posteriors above. **Please use the URL below to download this large (2GB) file** https://mod.fnal.gov/cwsmod/n/nova_docdb_ext/arxiv-2311.07835.data-release.mcmcsamples.root * One Jupyter notebook giving extensive examples how the MCMC samples above can be used

Collaboration, NOvA↗

Hyporheic-zone Processes and Stream Oxygen Dynamics: Insights from a Multiscale Reactive Transport Model: Modeling Archive

This archive contains the data and Python scripts required to reproduce the analyses and figures in the study: Gomez-Velez, J. D., Rathore, S. S., Cohen, M. J., & Painter, S. L. (2025). Hyporheic-zone Processes and Stream Oxygen Dynamics: Insights from a Multiscale Reactive Transport Model. Submitted to Water Resources Research. The analysis utilizes the subgrid model Advection Dispersion Equation with Lagrangian Subgrids (ADELS) implemented in the Advanced Terrestrial Simulator (ATS; https://amanzi.github.io/ats/stable/). In this case, the ATS and Amanzi versions are (1) ATS version 1.5.1_f5ba18f8 and (2) Amanzi version 1.6-dev_53444cca4. The repository includes a Jupyter Notebook and the necessary data (Pandas DataFrames stored as pickle files) to generate the figures for the manuscript. Additionally, it contains Python scripts to create ATS input files, run the ATS simulations, and post-process the results. Finally, it provides routines for parameter estimation using the Single-Station Metabolism (SSM) model with the Differential Evolution Adaptive Metropolis (DREAM) Markov Chain Monte Carlo (MCMC) algorithm with ZS enhancements (DREAM-ZS).

54 ENVIRONMENTAL SCIENCES↗

High-dimensional maximum-entropy phase space tomography

Reconstructing 4D or 6D phase space distributions from 1D or 2D measurements is a challenging inverse problem encountered in particle accelerators. Entropy maximization is an established method to incorporate prior information in the reconstruction, but it is typically infeasible in high-dimensional spaces. In this paper, I review two recent approaches to high-dimensional entropy maximization. The first approach utilizes differentiable simulations and a class of generative models known as normalizing flows, whereas the second approach employs the method of Lagrange multipliers and Markov Chain Monte Carlo (MCMC) sampling. My aim is to provide a short explanation of each method using a common notation. I conclude by mentioning several unsolved problems in phase space tomography.

Hoover, Austin [ORNL] (ORCID:0000000153136962)↗

Fast Emulation of Expensive Simulations using Approximate Gaussian Processes [Slides]

Nuclear Computational Low-Energy Initiative (NUCLEI) collaboration uses Density Functional Theory (DFT) simulations to predict the structure and binding energies of nuclei over a wide range of proton (Z) and neutron (N) numbers. The DFT simulations utilize a particular parameterization of a Skyrme energy density functional called UNEDF1 which depends on 12 free parameters that must be fit to data (M Kortelainen et al 2014). Fitting involves comparing (e.g.) predicted binding energies of nuclei to experimentally measured values. We use only binding energies as observables, but DFT with UNEDF1 will predict structure (shape) observables as well. In this work, assessing the capability of approximate GP emulators to balance emulator accuracy with computational speed to facilitate improved UNEDF1 calibration. Sparse GPs are straightforward to train and accurate. Calibration is not straightforward with MCMC (using MH or HMC/NUTS). We produced reusable software for continuing and building on this work as well as accessing and using Darwin cluster compute resources

97 MATHEMATICS AND COMPUTING↗

Weak Gravitational Lensing of Low Surface Brightness Galaxies in the Dark Energy Year 3 Catalog

We present galaxy-galaxy lensing measurements of a sample of low surface brightness galaxies (LSBGs) drawn from the Dark Energy Survey Year 3 (Y3) data. LSBGs are diffuse galaxies with a surface brightness dimmer than the ambient night sky. Given their faintness, the use of standard observational techniques proves challenging. Weak gravitational lensing probes both the baryonic and dark matter content of galaxies, rendering it a powerful technique to estimate LSBG masses. The LSBG lens sample consists of 23, 790 total extended galaxies separated into red and blue color types at \(g-i\ge 0.60\) and \(g-i\le 0.60\), respectively. We use the Y3 \sc{metacalibration} shape catalog as the source sample, with a number density of \(5.59 \mathrm{gal}/\mathrm{arcmin}^2\). We measure the tangential shear around the lens galaxies across angular scales of \(0.25-400\) arcmin and find a signal-to-noise of 6.67 for red galaxies, 2.17 for blue galaxies, and 5.30 for the total sample. We fit a model built from two NFW profiles corresponding to the LSBG dark matter subhalo and host halo to the red LSBG shear measurements with an MCMC. We estimate the host halo mass at \(7.3 ^{+2.0}_{-1.6}\times 10^{12} M_\mathrm{\odot}\). We place a 95\% upper bound on the subhalo mass at \(3\times 10^{11} M_\mathrm{\odot}\). We utilize the lens sample photometry to obtain an estimate of the red LSBG stellar mass distribution. We compare the ratio between the stellar mass and the subhalo mass to the parameterized, satellite-specific SHMR. This work represents the first example of an attempted constraint on the masses of LSBGs using weak gravitational lensing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Trustworthy Physics-Informed Deep Learning for Predictive Scientific Computing

This project has developed powerful trustworthy physics-informed deep learning (TPiDL) models and methods to fundamentally enhance the scale and power of computational modeling in the scientific and engineering domains. Deep learning (DL) has radically advanced the state-of-the-art in machine learning, computer vision, natural language processing, and also scientific computing. Nevertheless, progress has been driven almost entirely by empirical observations, hacks, and tricks. Under the support of this project, the graph operator learning tools and advanced trustworthy physical informed neural networks have been developed. In addition, stochastic gradient replica-exchange Markov Chain Monte Carlo (MCMC) sampling algorithms have been designed to quantify the uncertainties and speed up the training of large-scale neural networks.

97 MATHEMATICS AND COMPUTING↗

Assessing and benchmarking the fidelity of posterior inference methods for astrophysics data analysis

In this era of large and complex astronomical survey data, interpreting, validating, and comparing inference techniques becomes increasingly difficult. This is particularly critical for emerging inference methods like Simulation-Based Inference (SBI), which offer significant speedup potential and posterior modeling flexibility, especially when deep learning is incorporated. We present a study to assess and compare the performance and uncertainty prediction capability of Bayesian inference algorithms – from traditional MCMC sampling of analytic functions to deep learning-enabled SBI. We focus on testing the capacity of hierarchical inference modeling in those scenarios. Before we extend this study to cosmology, we first use astrophysical simulation data to ensure interpretability. We demonstrate a probabilistic programming implementation of hierarchical and non-hierarchical Bayesian inference using simulations derived from the DeepBench software library, a benchmarking tool developed by our group that generates simple and controllable astrophysical objects from first principles. This study will enable astronomers and physicists to harness the inference potential of these methods with confidence.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Yttrium solid phase equation of state with uncertainty quantification

We discuss the development of an equation of state (EOS) for solid yttrium up to roughly 80 GPa. The EOS makes use of different experimental datasets, including measurements of the isobaric density, isobaric specific heat, room temperature isotherm, and principal shock Hugoniot. The fitting procedure is carried out using Markov Chain Monte Carlo (MCMC), where we fit model parameters for both the cold curve and ion thermal models simultaneously. The results show close agreement with experimental data and provide meaningful uncertainty estimates on the model parameters. This work serves as a first step towards a multiphase EOS for yttrium, which will include higher pressure solid phases (> 80 GPa), as well as modeling of the liquid phase.

36 MATERIALS SCIENCE↗

Analyzing rotational bands in odd-mass nuclei using effective field theory and Bayesian methods

We recently developed an Effective Field Theory (EFT) for rotational bands in odd-mass nuclei. Here we use EFT expressions to perform a Bayesian analysis of data on the rotational energy levels of 99 Tc, 155,157 Gd, 159 Dy, 167,169 Er, 167,169 Tm, 183 W, 235 U and 239 Pu. The error model in our Bayesian analysis includes both experimental and EFT truncation uncertainties. It also accounts for the fact that low-energy constants (LECs) at even and odd orders are expected to have different sizes. We use Markov Chain Monte Carlo (MCMC) sampling to explore the joint posterior of the EFT and error-model parameters and show both the LECs and the breakdown scale can be reliably determined. We extract the LECs up to fourth order in the EFT and find that, provided we correctly account for EFT truncation errors in our likelihood, results for lower-order LECs are stable as we go to higher orders. LEC results are also stable with respect to the addition of higher-energy data. We extract the expansion parameter for all the nuclei listed above and find a clear correlation between the extracted and the expected value of the inverse breakdown scale, W, based on the single-particle and vibrational energy scales. However, the W that actually determines the convergence of the EFT expansion is markedly smaller than would be naively expected based on those scales.

EFT↗

TIC 168789840: A Sextuply Eclipsing Sextuple Star System

We report the discovery of a sextuply eclipsing sextuple star system from TESS data, TIC 168789840, also known as TYC 7037-89-1, the first known sextuple system consisting of three eclipsing binaries. The target was observed in Sectors 4 and 5 during Cycle 1, with lightcurves extracted from TESS Full Frame Image data. It was also previously observed by the WASP survey and ASAS-SN. The system consists of three gravitationally bound eclipsing binaries in a hierarchical structure of an inner quadruple system with an outer binary subsystem. Follow-up observations from several different observatories were conducted as a means of determining additional parameters. The system was resolved by speckle interferometry with a 0.″42 separation between the inner quadruple and outer binary, inferring an estimated outer period of ∼2 kyr. It was determined that the fainter of the two resolved components is an 8.217 day eclipsing binary, which orbits the inner quadruple that contains two eclipsing binaries with periods of 1.570 days and 1.306 days. Markov Chain Monte Carlo (MCMC) analysis of the stellar parameters has shown that the three binaries of TIC 168789840 are “triplets,” as each binary is quite similar to the others in terms of mass, radius, and T {sub eff}. As a consequence of its rare composition, structure, and orientation, this object can provide important new insight into the formation, dynamics, and evolution of multiple star systems. Future observations could reveal if the intermediate and outer orbital planes are all aligned with the planes of the three inner eclipsing binaries.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Probing Physics beyond the Standard Model through Combined Analyses of Next-generation Type Ia Supernova, Cosmic Microwave Background, and Baryon Acoustic Oscillation Surveys

Observations of Type Ia supernovae (SNe Ia), which probe the late Universe, together with baryon acoustic oscillations (BAO) and the cosmic microwave background (CMB), which probe the intermediate and early epochs, provide complementary constraints on the expansion history of the Universe. In this work, we forecast constraints on dark energy and other extensions to the standard cosmological model by combining the SN Ia sample expected from the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST), data from current and forthcoming CMB surveys, and BAO measurements from the Dark Energy Spectroscopic Instrument (DESI). For the CMB, we use temperature, polarization, and lensing power spectra (TT/EE/TE/ϕϕ) from the South Pole Telescope, the planned Advanced Simons Observatory, and a CMB-S4–like experiment. We derive constraints on ΛCDM and its extensions involving the dark energy equation-of-state parameters (w 0 , w a ) and the sum of neutrino masses ∑m ν using a Markov Chain Monte Carlo (MCMC) sampling framework. We find that the LSST Year 3 SN Ia sample can improve upon the DES Year 5 dark energy constraints by a factor of 2−2.5×, with the gains driven primarily by the significantly higher SN Ia density in the LSST sample. Similarly, DESI-DR3 shows up to a 1.8× improvement on dark energy parameters over DR2, driven largely by the substantial increase in the low-redshift sample. Combining CMB with LSST-Y3-SN Ia and DESI-DR3-BAO yields σ(w 0 ) = 0.028 and σ(w a ) = 0.11 for w 0 w a CDM cosmology with the results being largely independent of the CMB dataset. The constraints weaken by 10%–30% when freeing ∑m ν and spatial curvature. Moreover, the joint analysis of the three datasets can enable a 2σ–3σ detection of ∑m ν .

Raghunathan, Srinivasan [University of California;↗

Model Calibration with Markov Chain Monte Carlo Tutorial

The purpose of this tutorial is to demonstrate how to use Markov chain Monte Carlo (MCMC) to calibrate a model. By calibration, we mean the selection of model parameters (and, when relevant, structures). A common goal in model development and diagnostics is calibration, or the identification of model structures and parameters which are consistent with data. While models can be calibrated through hand-tuning parameters or minimizing simple error metrics such as root-mean-square-error (RMSE), these approaches can underrepresent the probabilistic nature of the data-generating process, as well as the potential for multiple model configurations to be consistent with the data. Probabilistic uncertainty quantification, which is the topic of this notebook, can address these concerns. This tutorial is presented as an appendix to the e-book: Addressing Uncertainty in MultiSector Dynamics Research.

Markov chain Monte Carlo↗

Bayesian Spatially Varying Multi-Regularization Image Deblurring

Many scientific experiments such as those found in astronomy, geology, microbiology, and X-ray radiography require the use of high-energy instruments to capture images. Since blur and noise are inevitably present in any imaging system, the images must be \deblurred" to extract the full information content. Mathematically, image deblurring is an ill-posed inverse problem that requires regularization. The regularization, in turn, has a large effect on the deblurred image: different regularization strengths, and types, lead to drastically different reconstructions. Moreover, many images contain a mixture of smooth and sharp features which suggests the use of multi-regularization, i.e., varying the type of regularization (e.g. Tikhonov or total variation) across the image. We address these issues by formulating the image deblurring problem within a hierarchical Bayesian framework in which we spatially adapt the strength of the regularization and also vary the regularization type across the image. In this way, the image itself, along with corresponding regularization strength at each pixel, are described jointly by a posterior distribution which we can sample by Markov chain Monte Carlo (MCMC) methods. We illustrate our techniques on simplified test problems and apply them to high-energy X-ray images taken at the Nevada National Security Site. Numerical tests show that our new method is robustly applicable and increases the quality of the image reconstruction when compared to other (Bayesian) methods.

97 MATHEMATICS AND COMPUTING↗

Determining the bubble nucleation efficiency of low-energy nuclear recoils in superheated C$_3$F$_8$ dark matter detectors

The bubble nucleation efficiency of low-energy nuclear recoils in superheated liquids plays a crucial role in interpreting results from direct searches for weakly interacting massive particle (WIMP) dark matter. The PICO Collaboration presents the results of the efficiencies for bubble nucleation from carbon and fluorine recoils in superheated C$_3$F$_8$ from calibration data taken with 5 distinct neutron spectra at various thermodynamic thresholds ranging from 2.1 keV to 3.9 keV. Instead of assuming any particular functional forms for the nuclear recoil efficiency, a generalized piecewise linear model is proposed with systematic errors included as nuisance parameters to minimize model-introduced uncertainties. A Markov-Chain Monte-Carlo (MCMC) routine is applied to sample the nuclear recoil efficiency for fluorine and carbon at 2.45 keV and 3.29 keV thermodynamic thresholds simultaneously. The nucleation efficiency for fluorine was found to be $\geq 50\, \%$ for nuclear recoils of 3.3 keV (3.7 keV) at a thermodynamic Seitz threshold of 2.45 keV (3.29 keV), and for carbon the efficiency was found to be $\geq 50\, \%$ for recoils of 10.6 keV (11.1 keV) at a threshold of 2.45 keV (3.29 keV). Simulated data sets are used to calculate a p-value for the fit, confirming that the model used is compatible with the data. The fit paradigm is also assessed for potential systematic biases, which although small, are corrected for. Additional steps are performed to calculate the expected interaction rates of WIMPs in the PICO-60 detector, a requirement for calculating WIMP exclusion limits.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Decoding Golden Eagle Movement Behavior from High-Resolution, Variable-Rate Telemetry Data Through Bayesian Filtering

The recent advances in animal tracking technology have enabled the collection of a vast amount of in situ data regarding the movement of wildlife at high spatiotemporal resolution. These data are usually available at variable time resolutions and contains noise (error) originating from GPS fixes. Decoding movement characteristics, particularly of flying animals, from telemetry data while handling these factors is a challenging yet important task for conservation purposes. Typically, this task is broken into two subtasks: resampling, and model calibration. The resampling subtask converts the variable rate positional data into a constant time interval data, while the model calibration subtask uses the resampled data to tune time-invariant parameters of the proposed models. For telemetry data at high temporal resolutions (order of 1 second), it is very challenging to decouple noise from actual movements using interpolation-based resampling techniques. Any errors introduced during resampling can significantly alter the the calibration and prediction attributes of the movement model. We address this problem through a unified Bayesian state-space framework that can handle both the resampling and calibration tasks in a single step. In addition, we use the speed and heading of the bird from telemetry data to regularize the position information of the bird. We use a Kalman filtering approach to include these nonlinearly related motion parameters within the state space framework. We cross-validated to quantify how this inclusion affects the model performance in estimating true bird movements. The relationship between the true state of the bird and environmental and topographical covariates is then represented parametrically. These parameters are then tuned using stochastic sampling strategies like Markov Chain Monte Carlo (MCMC). We use the telemetry data collected from golden eagles in the western USA to demonstrate the applicability of this approach to build a predictive, probabilistic movement model. Our preliminary results show that this approach provides improved predictive performance in terms of capturing higher-order motion parameters such as angular and horizontal accelerations, which may have simpler and more direct relationships with environmental covariates than corresponding speeds. In this talk, we will demonstrate how this state-space approach benefits the prediction capabilities of a movement model in simulating golden eagle paths through a wind power plant in Wyoming given certain atmospheric conditions. The model outcomes are aimed at informing mitigation strategies that can minimize the potential for collisions of golden eagles with wind turbines.

Bayesian methods↗

Analysis of Three Body Decays in Quasi-Real Photoproduction

This thesis presents preliminary measurements of the moments of angular distribution for the K?K+ mesonic final state using a quasi-real, linearly polarised photon. Two of the main points of focus for this analysis were the development of the formalism for photoproduced vector-pseudoscalar decay and the tools by which the analysis was carried out. The formalism described how the moments of angular distribution could be extracted from the angular decay variables, and how they related to resonance decays in terms of partial waves. In extracting the moments, it was found that adapted Markov Chain Monte Carlo (MCMC) methods proved to be more effective in terms of extracting results from the data compared to the sole use of gradient descent based fitting algorithms. These measurements are complementary to other decay channels and production mechanisms, with the global aim of probing the existence of exotic mesons. Data from this analysis was taken by the CLAS collaboration at the Thomas Jefferson National Accelerator Facility (JLab) by scattering from a liquid hydrogen target using a 10.6 GeV electron. This work was done within the MesonEx program at CLAS12 that aims to map the spectrum of mesons, and in doing so, gain a greater understanding of Quantum ChromoDynamics (QCD) and the strong force.

Wishart, Robert↗

Weak Gravitational Lensing of Low Surface Brightness Galaxies in the DES Year 3 Catalog

We present galaxy-galaxy lensing measurements of a sample of low surface brightness galaxies (LSBGs) drawn from the Dark Energy Survey Year 3 (Y3) data. LSBGs are diffuse galaxies with a surface brightness dimmer than the ambient night sky. Given their faintness, the use of standard observational techniques proves challenging. Weak gravitational lensing probes both the baryonic and dark matter content of galaxies, rendering it a powerful technique to estimate LSBG masses. The LSBG lens sample consists of 23, 790 total extended galaxies separated into red and blue color types at \(g-i\ge 0.60\) and \(g-i\le 0.60\), respectively. We use the Y3 \metacal\ shape catalog as the source sample, with a number density of {\color{red}\(5.59 \mathrm{gal}/\mathrm{arcmin}^2\)}. We measure the tangential shear around the lens galaxies across angular scales of \(0.25-400\) arcmin and find a signal-to-noise of 6.67 for red galaxies, 2.17 for blue galaxies, and 5.30 for the total sample. W e fit a model built from two NFW profiles corresponding to the LSBG dark matter subhalo and host halo to the red LSBG shear measurements with an MCMC. We estimate the host halo mass at \(7.3 ^{+2.0}_{-1.6}\times 10^{12} M_\mathrm{\odot}\). We place a 95\% upper bound on the subhalo mass at \(2.8\times 10^{11} M_\mathrm{\odot}\). We utilize the lens sample photometry to obtain an estimate of the red LSBG stellar mass distribution. We compare the ratio between the stellar mass and the subhalo mass to the parameterized, satellite-specific SHMR \citep{Moster2010}. This work represents the first example of an attempted constraint on the masses of LSBGs using weak gravitational lensing.

79 ASTRONOMY AND ASTROPHYSICS↗