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At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Bayesian estimation of Karhunen–Loève expansions; A random subspace approach

One of the most widely-used statistical procedures for dimensionality reduction of high dimensional random fields is Principal Component Analysis (PCA), which is based on the Karhunen-Lo eve expansion (KLE) of a stochastic process with finite variance. The KLE is analogous to a Fourier series expansion for a random process, where the goal is to find an orthogonal transformation for the data such that the projection of the data onto this orthogonal subspace is optimal in the L 2 sense, i.e, which minimizes the mean square error. In practice, this orthogonal transformation is determined by performing an SVD (Singular Value Decomposition) on the sample covariance matrix or on the data matrix itself. Sampling error is typically ignored when quantifying the principal components, or, equivalently, basis functions of the KLE. Furthermore, it is exacerbated when the sample size is much smaller than the dimension of the random field. In this paper, we introduce a Bayesian KLE procedure, allowing one to obtain a probabilistic model on the principal components, which can account for inaccuracies due to limited sample size. The probabilistic model is built via Bayesian inference, from which the posterior becomes the matrix Bingham density over the space of orthonormal matrices. We use a modified Gibbs sampling procedure to sample on this space and then build a probabilistic Karhunen-Lo eve expansions over random subspaces to obtain a set of low-dimensional surrogates of the stochastic process. We illustrate this probabilistic procedure with a finite dimensional stochastic process inspired by Brownian motion.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Lowering the computational barrier: Partially Bayesian neural networks for transparency in medical imaging AI

Deep Neural Networks (DNNs) can provide clinicians with fast and accurate predictions that are highly valuable for high-stakes medical decision-making, such as in brain tumor segmentation and treatment planning. However, these models largely lack transparency about the uncertainty in their predictions, potentially giving clinicians a false sense of reliability that may lead to grave consequences in patient care. Growing calls for Transparent and Responsible AI have promoted Uncertainty Quantification (UQ) to capture and communicate uncertainty in a systematic and principled manner. However, traditional Bayesian UQ methods remain prohibitively costly for large, million-dimensional tumor segmentation DNNs such as the U-Net. In this work, we discuss a computationally-efficient UQ approach via the partially Bayesian neural networks (pBNN). In pBNN, only a single layer, strategically selected based on gradient-based sensitivity analysis, is targeted for Bayesian inference. We illustrate the effectiveness of pBNN in capturing the full uncertainty for a 7.8-million parameter U-Net. We also demonstrate how practitioners and model developers can use the pBNN's predictions to better understand the model's capabilities and behavior.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Bayesian classification of falls risk

Background. Prior research in falls risk prediction often relies on qualitative and/or clinical methods. There are two challenges with these methods. First, qualitative methods typically use falls history to determine falls risk. Second, clinical methods do not quantify the uncertainty in the classification decision. In this paper, we propose using Bayesian classification to predict falls risk using vectors of gait variables shown to contribute to falls risk. Research Questions: (1) Using a vector of risk ratios for specific gait variables shown to contribute to falls risk, how can older adults be classified as low or high falls risk? and (2) how can the uncertainty in the classifier decision be quantified when using a vector of gait variables? Methods. Using a pressure sensitive walkway, biomechanical measurements of gait were collected from 854 adults over the age of 65. In our method, we first determine low and high falls risk labels for vectors of risk ratios using the k-means algorithm. Next, the posterior probability of low or high falls risk class membership is obtained from a two component Gaussian mixture model (GMM) of gait vectors, which enables risk assessment directly from the underlying biomechanics. We classify the gait vectors using a threshold based on Youden's J statistic. Results. Through a Monte Carlo simulation and an analysis of the receiver operating characteristic (ROC), we demonstrate that our Bayesian classifier, when compared to the k-means falls risk labels, achieves an accuracy greater than 96% at predicting low or high falls risk. Significance. Our analysis indicates that our approach based on a Bayesian framework and an individual's underlying biomechanics can predict falls risk while quantifying uncertainty in the classification decision.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Evolution of homologous recombination rates across bacteria

Bacteria are nonsexual organisms but are capable of exchanging DNA at diverse degrees through homologous recombination. Intriguingly, the rates of recombination vary immensely across lineages where some species have been described as purely clonal and others as “quasi-sexual.” However, estimating recombination rates has proven a difficult endeavor and estimates often vary substantially across studies. It is unclear whether these variations reflect natural variations across populations or are due to differences in methodologies. Consequently, the impact of recombination on bacterial evolution has not been extensively evaluated and the evolution of recombination rate—as a trait—remains to be accurately described. Here, we developed an approach based on Approximate Bayesian Computation that integrates multiple signals of recombination to estimate recombination rates. We inferred the rate of recombination of 162 bacterial species and one archaeon and tested the robustness of our approach. Our results confirm that recombination rates vary drastically across bacteria; however, we found that recombination rate—as a trait—is conserved in several lineages but evolves rapidly in others. Although some traits are thought to be associated with recombination rate (e.g., GC-content), we found no clear association between genomic or phenotypic traits and recombination rate. Overall, our results provide an overview of recombination rate, its evolution, and its impact on bacterial evolution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Mapping snow depth within a tundra ecosystem using multiscale observations and Bayesian methods

Abstract. This paper compares and integrates different strategies to characterize the variability of end-of-winter snow depth and its relationship to topography in ice-wedge polygon tundra of Arctic Alaska. Snow depth was measured using in situ snow depth probes and estimated using ground-penetrating radar (GPR) surveys and the photogrammetric detection and ranging (phodar) technique with an unmanned aerial system (UAS). We found that GPR data provided high-precision estimates of snow depth (RMSE = 2.9 cm), with a spatial sampling of 10 cm along transects. Phodar-based approaches provided snow depth estimates in a less laborious manner compared to GPR and probing, while yielding a high precision (RMSE = 6.0 cm) and a fine spatial sampling (4 cm × 4 cm). We then investigated the spatial variability of snow depth and its correlation to micro- and macrotopography using the snow-free lidar digital elevation map (DEM) and the wavelet approach. We found that the end-of-winter snow depth was highly variable over short (several meter) distances, and the variability was correlated with microtopography. Microtopographic lows (i.e., troughs and centers of low-centered polygons) were filled in with snow, which resulted in a smooth and even snow surface following macrotopography. We developed and implemented a Bayesian approach to integrate the snow-free lidar DEM and multiscale measurements (probe and GPR) as well as the topographic correlation for estimating snow depth over the landscape. Our approach led to high-precision estimates of snow depth (RMSE = 6.0 cm), at 0.5 m resolution and over the lidar domain (750 m × 700 m).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Comparison of statistical and deterministic frameworks of uncertainty quantification

Two different approaches to the prediction problem are compared employing a realistic example— combustion of natural gas—with 102 uncertain parameters and 76 quantities of interests. One approach, termed bound-to-bound data collaboration (abbreviated to B2B), deploys semidefinite programming algorithms where the initial bounds on unknowns are combined with initial bounds of experimental data to produce new uncertainty bounds for the unknowns that are consistent with the data and, finally, deterministic uncertainty bounds for prediction in new settings. The other approach is statistical and Bayesian, referred to as BCP (for Bayesian calibration and prediction). It places prior distributions on the unknown parameters and on the parameters of the measurement error distributions and produces posterior distributions for model parameters and posterior distributions for model predictions in new settings. The predictions from the two approaches are consistent; a very large degree of overlap exists between B2B bounds and the support of the BCP predictive distribution. Interpretation and comparison of the results is closely connected with assumptions made about the model and experimental data and how they are used in both settings. As a result, the principal conclusion is that use of both methods protects against possible violations of assumptions in the BCP approach and conservative specifications and predictions using B2B.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A systematic strategy for estimating hERG block potency and its implications in a new cardiac safety paradigm

Introduction: hERG block potency is widely used to calculate a drug's safety margin against its torsadogenic potential. Previous studies are confounded by use of different patch clamp electrophysiology protocols and a lack of statistical quantification of experimental variability. Since the new cardiac safety paradigm being discussed by the International Council for Harmonisation promotes a tighter integration of nonclinical and clinical data for torsadogenic risk assessment, a more systematic approach to estimate the hERG block potency and safety margin is needed. Methods: A cross-industry study was performed to collect hERG data on 28 drugs with known torsadogenic risk using a standardized experimental protocol. A Bayesian hierarchical modeling (BHM) approach was used to assess the hERG block potency of these drugs by quantifying both the inter-site and intra-site variability. A modeling and simulation study was also done to evaluate protocol-dependent changes in hERG potency estimates. Results: A systematic approach to estimate hERG block potency is established. The impact of choosing a safety margin threshold on torsadogenic risk evaluation is explored based on the posterior distributions of hERG potency estimated by this method. The modeling and simulation results suggest any potency estimate is specific to the protocol used. Discussion: This methodology can estimate hERG block potency specific to a given voltage protocol. The relationship between safety margin thresholds and torsadogenic risk predictivity suggests the threshold should be tailored to each specific context of use, and safety margin evaluation may need to be integrated with other information to form a more comprehensive risk assessment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Bayesian inference for plasmonic nanometrology

Here, we introduce a Bayesian method for the characterization of plasmonic nanoparticles, which is applicable to both near- and far-field problems. Designed to combine data generated from any photon-plasmon interaction experiment with physically motivated theoretical models, our approach leverages state-of-the-art Markov chain Monte Carlo sampling techniques and returns parameter estimates on nanometric scales. Simulated spectral data sets, describing resonant scattering of photons from ellipsoidal and toroidal nanoparticles, are explored as concrete examples of our approach, with the resulting Bayesian estimates showing excellent agreement with the ground truth, even under conditions of high statistical noise. By incorporating Bayes factors into the method as well, we reveal how model selection can determine which one of competing geometric shapes better explains the observed data. Our comprehensive nanometrology procedure can be tailored to a variety of light-particle interaction models, and its reliance on Bayesian inference furnishes automatic uncertainty quantification. In addition to applicability to a host of plasmonic configurations such as nanoparticle dimers, trimers, and array studies, it is proposed that the presented analysis can be extended to the quantum regime, where nonclassical photon statistics may provide additional insight for inference of scatterer properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Scalable measurement error mitigation via iterative bayesian unfolding

Measurement errors are a significant obstacle to achieving scalable quantum computation. To counteract systematic readout errors, researchers have developed postprocessing techniques known as measurement error mitigation methods. However, these methods face a tradeoff between scalability and returning nonnegative probabilities. In this paper, we present a solution to overcome this challenge. Our approach focuses on iterative Bayesian unfolding, a standard mitigation technique used in high-energy physics experiments, and implements it in a scalable way. We demonstrate our method on experimental Greenberger-Horne-Zeilinger state preparation on up to 127 qubits and on the Bernstein-Vazirani algorithm on up to 26 qubits. Compared to state-of-the-art methods (such as M3), our implementation guarantees valid probability distributions, returns comparable or better-mitigated results, and does so without a noticeable time and memory overhead. Published by the American Physical Society 2024

Pokharel, Bibek (ORCID:0000000342841353)↗
DOE OSTI2016

BAYESIAN SEMI-BLIND COMPONENT SEPARATION FOR FOREGROUND REMOVAL IN INTERFEROMETRIC 21 cm OBSERVATIONS

In this paper, we present a new Bayesian semi-blind approach for foreground removal in observations of the 21 cm signal measured by interferometers. The technique, which we call H i Expectation–Maximization Independent Component Analysis (HIEMICA), is an extension of the Independent Component Analysis technique developed for two-dimensional (2D) cosmic microwave background maps to three-dimensional (3D) 21 cm cosmological signals measured by interferometers. This technique provides a fully Bayesian inference of power spectra and maps and separates the foregrounds from the signal based on the diversity of their power spectra. Relying only on the statistical independence of the components, this approach can jointly estimate the 3D power spectrum of the 21 cm signal, as well as the 2D angular power spectrum and the frequency dependence of each foreground component, without any prior assumptions about the foregrounds. This approach has been tested extensively by applying it to mock data from interferometric 21 cm intensity mapping observations under idealized assumptions of instrumental effects. We also discuss the impact when the noise properties are not known completely. As a first step toward solving the 21 cm power spectrum analysis problem, we compare the semi-blind HIEMICA technique to the commonly used Principal Component Analysis. Under the same idealized circumstances, the proposed technique provides significantly improved recovery of the power spectrum. This technique can be applied in a straightforward manner to all 21 cm interferometric observations, including epoch of reionization measurements, and can be extended to single-dish observations as well.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

High-Dimensional Bayesian Optimization via Semi-Supervised Learning with Optimized Unlabeled Data Sampling

We introduce a novel semi-supervised learning approach, named Teacher-Student Bayesian Optimization (TSBO ), integrating the teacher-student paradigm into BO to minimize expensive labeled data queries for the first time. TSBO incorporates a teacher model, an unlabeled data sampler, and a student model. The student is trained on unlabeled data locations generated by the sampler, with pseudo labels predicted by the teacher. The interplay between these three components implements a unique selective regularization to the teacher in the form of student feedback. This scheme enables the teacher to predict high-quality pseudo labels, enhancing the generalization of the GP surrogate model in the search space. To fully exploit TSBO , we propose two optimized unlabeled data samplers to construct effective student feedback that well aligns with the objective of Bayesian optimization. Furthermore, we quantify and leverage the uncertainty of the teacher-student model for the provision of reliable feedback to the teacher in the presence of risky pseudo-label predictions. TSBO demonstrates significantly improved sample-efficiency in several global optimization tasks under tight labeled data budgets. The implementation is available at https://github.com/reminiscenty/TSBO-Official.

Yin, Yuxuan↗
DOE OSTI2023

Bayesian Inference with Latent Hamiltonian Neural Networks (L-HNNs)

When sampling for Bayesian inference, one popular approach is to use Hamiltonian Monte Carlo (HMC) and the No-U-Turn Sampler (NUTS). However, HMC and NUTS can require numerous numerical gradients of the target density and can prove slow in practice. We propose Hamiltonian neural networks (HNNs) with HMC and NUTS for solving Bayesian inference problems [1, 2]. Once trained, HNNs do not require gradients of the target density while sampling. Moreover, they satisfy important properties such as perfect time reversibility and Hamiltonian conservation, making them well suited for use within HMC and NUTS because stationarity can be shown. We also propose an HNN extension called latent HNNs (L-HNNs), which predict latent variable outputs. Compared to HNNs, L-HNNs offer improved expressivity and a reduction in integration errors. Finally, we propose employing L-HNNs in NUTS with an online error monitoring scheme to prevent degeneracy of the sampling in regions of low probability density. We demonstrate L-HNNs in NUTS with online error monitoring by using several example cases involving complex, heavy-tailed, and high local curvature probability densities. Overall, L-HNNs in NUTS with online error monitoring satisfactorily inferred these probability densities. Compared to traditional NUTS, L-HNNs in NUTS with online error monitoring improved the effective sample size (ESS) per gradient by an order of magnitude.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

More Data Needed for Failure Rate Estimation, Validation, and Uncertainty Reduction

Current Environmental Control and Life Support System (ECLSS) development and test activities are not generating data fast enough to provide statistically-supportable precise Orbital Replacement Unit (ORU) failure rate estimates for future missions. Accurate and precise failure rate estimates are critical for missions beyond Low Earth Orbit (LEO) because current risk mitigation approaches – namely regular resupply and rapid abort capabilities – will not be available. Safe operations will depend on mission planners’ ability to accurately forecast spares demand and efficiently provide the necessary resources. However, even after more than a decade of operations on board the International Space Station (ISS), a significant amount of uncertainty remains in failure rate estimates. Uncertain or inaccurate failure rates result in increased risk and spares mass for future missions. A Bayesian failure rate estimation approach, such as the one currently implemented by the ISS Program, can help reduce uncertainty by incorporating engineering judgement into failure rate estimates. However, experience on the ISS and with other complex systems shows that these prior failure rate estimates are often inaccurate. In addition, prior failure rate estimates are typically point values; some level of uncertainty must be added to convert these into probability distributions for Bayesian updating, and there are several potential methods for doing so. Due to the low rate of data collection, these subjective (and often inaccurate) prior estimates currently have a strong influence on the end result. This paper examines the challenges associated with failure rate estimation, validation, and uncertainty reduction in the context of ECLSS development for beyond-LEO missions. A variety of techniques for generating and updating Bayesian priors are discussed and evaluated using both real-world and simulated data. Potential solutions for improving failure rate estimation, including testing additional units, are analyzed and discussed, and a set of recommendations are provided for next-generation system development activities.

Supportability↗
DOE OSTI2024

Rapid assessment of the creep rupture life of metals: A model enabling experimental design

Prediction of the creep rupture life of engineering metals is critical for qualification and design of new materials. The use of long-term creep tests and the need to quantify the performance variability in a priori similar systems hinder the rapid creep assessment of a given material. Therefore, it is essential to develop methods that can extrapolate the long-term performance of alloys and the associated variability from short-term experiments. To this end, this study introduces a new model which enables the estimation of the rupture life of a material for a given stress and temperature. This model relies on two components. First, a new relation for the minimum creep rate (MCR) of materials is introduced. It includes a stress dependent stress exponent allowing the model to capture the variation of MCR across a wide range of temperatures and stresses. Second, employing the Monkman-Grant (MG) law, we establish a relation between stress, temperature and creep rupture life. Together, these two elements yield a new closed-form mathematical expression for the Larson Miller parameter as a function of stress and temperature. This expression captures the creep rupture time for many metals (Gr91, Copper, Gr122 and 347H) and compares favorably with alternate empirical approaches. The model is then used to assess the minimum duration of creep rates necessary to qualify the material up to 100000h. Furthermore, it is found that depending on the material system, creep tests as few as five limited to 5000 h for steels (Gr91, Gr122, 347H) and 100 h for copper are sufficient to model creep lifetimes. Finally, using a Bayesian inference-based approach to calibrate the model, we demonstrate that variability in rupture life can be captured via the quantification of the uncertainty in the model parameters and extrapolated from a limited number of short to moderately short creep tests; thereby paving the way for accelerated creep testing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Bayesian GAN-Based False Data Injection Attack Detection in Active Distribution Grids With DERs

Advancements in information and communication technologies have revolutionized monitoring and control capabilities within smart grids. However, it also brings new vulnerabilities to data acquisition systems and state estimation functions, which attackers can subtly tamper with the measurement data through compromising the communication network. Moreover, the high penetration of renewable energy sources with the inherited characteristics of uncertainty and variability further complicates the design of effective intrusion detection systems. In this paper, a Bayesian deep learning-based approach is developed to detect cyber attacks and maintain the security of smart grids. Our method specifically addresses the prevalent issue of imbalanced data in real power systems, which arises from the predominance of normal system operations over compromised or attacked states. Employing a novel Bayesian GAN-based technique, our approach successfully discriminates between secure and compromised measurement data, even in scenarios with significant data imbalance. Furthermore, the proposed method accommodates various practical application factors, ensuring accurate intrusion detection despite the presence of measurement noise. The feasibility and effectiveness of the proposed detection mechanism are validated by testing on IEEE 13-node and 123-node test systems. Simulation results and comparisons with literature methods demonstrate the superiority of proposed cybersecurity solutions.

Bayesian GAN↗
DOE OSTI2024

Radiation image reconstruction and uncertainty quantification using a Gaussian process prior

We propose a complete framework for Bayesian image reconstruction and uncertainty quantification based on a Gaussian process prior (GPP) to overcome limitations of maximum likelihood expectation maximization (ML-EM) image reconstruction algorithm. The prior distribution is constructed with a zero-mean Gaussian process (GP) with a choice of a covariance function, and a link function is used to map the Gaussian process to an image. Unlike many other maximum a posteriori approaches, our method offers highly interpretable hyperparamters that are selected automatically with the empirical Bayes method. Furthermore, the GP covariance function can be modified to incorporate a priori structural priors, enabling multi-modality imaging or contextual data fusion. Lastly, we illustrate that our approach lends itself to Bayesian uncertainty quantification techniques, such as the preconditioned Crank–Nicolson method and the Laplace approximation. The proposed framework is general and can be employed in most radiation image reconstruction problems, and we demonstrate it with simulated free-moving single detector radiation source imaging scenarios. We compare the reconstruction results from GPP and ML-EM, and show that the proposed method can significantly improve the image quality over ML-EM, all the while providing greater understanding of the source distribution via the uncertainty quantification capability. Furthermore, significant improvement of the image quality by incorporating a structural prior is illustrated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Efficient Bayesian inference with latent Hamiltonian neural networks in No-U-Turn Sampling

When sampling for Bayesian inference, one popular approach in the computational field is to use Hamiltonian Monte Carlo (HMC) and specifically the No-U-Turn Sampler (NUTS), which automatically decides the end time of the Hamiltonian trajectory. However, HMC and NUTS can require numerous numerical gradients of the target density and can prove slow in practice when relying on computationally expensive forward models. We propose Latent Hamiltonian neural networks (L-HNNs) with HMC and NUTS for solving Bayesian inference problems. Once trained, L-HNNs do not require numerical gradients of the target density during sampling, and hence numerous evaluations of the forward computational model. Moreover, L-HNNs satisfy important properties such as perfect time reversibility and Hamiltonian conservation, making them well-suited for use within HMC and NUTS because stationarity can be shown. We also propose the integration of L-HNNs in an online error monitoring scheme, in which numerical gradients of the target density are used for a few samples whenever the L-HNNs prediction errors are large. This online error monitor scheme prevents sample degeneracy in regions of low probability density and ensures robust uncertainty quantification. We demonstrate L-HNNs in NUTS with online error monitoring on several analytical examples involving complex, heavy-tailed, and high-local-curvature probability densities. We then demonstrate the applicability of L-HNNs in NUTS to two computational case studies, namely the Allen-Cahn stochastic partial differential equation and an elliptic partial differential equation with 25 and 50 inference parameters, respectively. Overall, the L-HNNs in NUTS with online error monitoring satisfactorily inferred these probability densities. In conclusion, compared to traditional NUTS, L-HNNs in NUTS with online error monitoring required 1–2 orders of magnitude fewer numerical gradients of the target density and improved the effective sample size (ESS) per gradient (which is a measure of both the sampling quality and the computational expense) by an order of magnitude.

97 MATHEMATICS AND COMPUTING↗