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Ab initio has been used as a label in nuclear theory for over two decades. Its meaning has evolved and broadened over the years. We present our interpretation, briefly review its historical use, and discuss its present-day relation to theoretical uncertainty quantification.
Radiography is an important tool for the interrogation of dynamic experiments in the fields of dynamic properties of materials, and in condensed matter, high explosive, and high-energy-density physics. Multi-modal radiography advances the hypothesis that combining the information delivered by multiple radiographic modalities can lead to more constrained (improved) “reconstruction” of the scene than can be obtained from a single probe. We identify four modalities: multi-probe, time sequence, multi-view, and multi-messenger. Multi-probe radiography is a promising candidate for a next-generation dynamic radiographic facility. High-energy X-rays are the most frequently used probe for dynamic radiography, although recent developments show the utility of proton (pRad), electron (eRad), and neutron probe beams. Because each probing species interacts with material in the radiographic scene through quantitatively different mechanisms, each returns independent information about the scene, which can add extra constraints to the reconstruction process. How to conduct detailed, quantitative “co-analysis” of multiple data streams remains an area of active research. Multi-beam, short-pulse, laser-generated probes offer sufficient dose, an appropriate spectrum, and appropriate spatio-temporal resolution to produce high-quality dynamic radiographs. This paper reports on technology development to advance the state of the art of multi-modal/multi-probe radiography and the pursuit of both deterministic and inferential (AI/ML assisted) co-analysis methodologies to produce more constrained reconstructions from multi-modal data.
A major challenge in many machine learning tasks is that the model expressive power depends on model size. Low-rank tensor methods are an efficient tool for handling the curse of dimensionality in many large-scale machine learning models. The major challenges in training a tensor learning model include how to process the high-volume data, how to determine the tensor rank automatically, and how to estimate the uncertainty of the results. While existing tensor learning focuses on a specific task, this paper proposes a generic Bayesian framework that can be employed to solve a broad class of tensor learning problems such as tensor completion, tensor regression, and tensorized neural networks. We develop a low-rank tensor prior for automatic rank determination in nonlinear problems. Our method is implemented with both stochastic gradient Hamiltonian Monte Carlo (SGHMC) and Stein Variational Gradient Descent (SVGD). We compare the automatic rank determination and uncertainty quantification of these two solvers. We demonstrate that our proposed method can determine the tensor rank automatically and can quantify the uncertainty of the obtained results. We validate our framework on tensor completion tasks and tensorized neural network training tasks.
To establish confidence in the results of computerized physics models, a key regulatory requirement is to develop a scientifically defendable process. The methods employed for confidence, characterization, and consolidation, or C3, are statistically involved and are often accessible only to avid statisticians. This manuscript serves as a pedagogical presentation of the C3 process to all stakeholders—including researchers, industrial practitioners, and regulators—to impart an intuitive understanding of the key concepts and mathematical methods entailed by C3. The primary focus is on calculation of tolerance limits, which is the overall goal of the C3 process. Tolerance limits encode the confidence in the calculation results as communicated to the regulator. Understanding the C3 process is especially critical today, as the nuclear industry is considering more innovative ways to assess new technologies, including new reactor and fuel concepts, via an integrated approach that optimally combines modeling and simulation and minimal targeted validation experiments. This manuscript employs intuitive, analytical, numerical, and visual representations to explain how tolerance limits may be calculated for a wide range of configurations, and it also describes how their values may be interpreted. Various verification tests have been developed to test the calculated tolerance limits and to help delineate their values. The manuscript demonstrates the calculation of tolerance limits for TSURFER, a computer code developed by the Oak Ridge National Laboratory for criticality safety applications. The goal is to evaluate the tolerance limit for TSURFER-determined criticality biases to support the determination of upper, subcritical limits for regulatory purposes.
The description of the stellar interior of compact stars remains as a big challenge for the nuclear astrophysics community. The consolidated knowledge is restricted to density regions around the saturation of hadronic matter ρ 0 =2.8 × 10 14 g cm -3 , regimes where our nuclear models are successfully applied. As one moves towards higher densities and extreme conditions up to the quark/gluons deconfinement, little can be said about the microphysics of the equation of state (EoS). Here, we employ a Markov Chain Monte Carlo (MCMC) strategy to access the variability at high density regions of polytropic piecewise models for neutron star (NS) EoS or possible hybrid stars, i.e., a NS with a small quark-matter core. With a fixed description of the hadronic matter for low density, below the nuclear saturation density, we explore a variety of models for the high density regimes leading to stellar masses near to 2.5 M ⊙ , in accordance with the observations of massive pulsars. The models are constrained, including the observation of the merger of neutrons stars from VIRGO-LIGO and with the pulsar observed by NICER. In addition, we also discuss the possibility of the use of a Bayesian power regression model with heteroscedastic error. The set of EoS from the Laser Interferometer Gravitational-Wave Observatory (LIGO) was used as input and treated as the data set for the testing case.
The dwarf planet (136108) Haumea has an intriguing combination of unique physical properties: near-breakup spin, two regular satellites, and an unexpectedly compact family. While these properties point toward formation by a collision, there is no self-consistent and reasonably probable formation hypothesis that can connect the unusually rapid spin and low relative velocities of Haumea family members (“Haumeans”). We explore and test the proposed formation hypotheses (catastrophic collision, graze-and-merge, and satellite collision) in detail. We flexibly parameterize the properties of the collision (e.g., the collision location) and use simple models for the unique three-dimensional velocity ejection field expected from each model to generate simulated families. These are then compared to the observed Kuiper Belt objects using Bayesian parameter inference, including a mixture model that robustly allows for interlopers from the background population. After testing our methodology, we find that the best match to the observed Haumeans is an essentially isotropic ejection field with a typical velocity of 150 m s{sup −1}. The graze-and-merge formation hypothesis—in which Haumeans are shed due to excess angular momentum—is clearly disfavored because the observed Haumeans are not oriented in a plane. The satellite collision model is also disfavored. Including these new constraints, we present a detailed discussion of the formation hypotheses, including variations, some of which are tested. Some new hypotheses are proposed (a cratering collision and a collision where Haumea’s upper layers are “missing”) and scrutinized. We do not identify a satisfactory formation hypothesis, but we do propose several avenues of additional investigation. In the process of these analyses, we identify many new candidate Haumeans and dynamically confirm seven of them as consistent with the observed family. We also confirm that Haumeans have a shallow size distribution and discuss implications for the discovery and identification of new Haumeans.
The problem of estimating certain distributions over {0, 1} d is considered here. The distribution represents a quantum system of d qubits, where there are non-trivial dependencies between the qubits. A maximum entropy approach is adopted to reconstruct the distribution from exact moments or observed empirical moments. The Robbins Monro algorithm is used to solve the intractable maximum entropy problem, by constructing an unbiased estimator of the un-normalized target with a sequential Monte Carlo sampler at each iteration. In the case of empirical moments, this coincides with a maximum likelihood estimator. A Bayesian formulation is also considered in order to quantify uncertainty a posteriori. Several approaches are proposed in order to tackle this challenging problem, according to recently developed methodologies. In particular, unbiased estimators of the gradient of the log posterior are constructed and used within a provably convergent Langevin-based Markov chain Monte Carlo method. The methods are illustrated on classically simulated output from quantum simulators.
A viewgraph presentation on the review of Bayesian approach to Cosmic Microwave Background (CMB) analysis, numerical implementation with Gibbs sampling, a summary of application to WMAP I and work in progress with generalizations to polarization, foregrounds, asymmetric beams, and 1/f noise is given.
There is a wealth of cosmological information encoded in the spatial power spectrum of temperature anisotropies of the cosmic microwave background. The sky, when viewed in the microwave, is very uniform, with a nearly perfect blackbody spectrum at 2.7 degrees. Very small amplitude brightness fluctuations (to one part in a million!!) trace small density perturbations in the early universe (roughly 300,000 years after the Big Bang), which later grow through gravitational instability to the large-scale structure seen in redshift surveys... In this talk, I will discuss a Bayesian formulation of this problem; discuss a Gibbs sampling approach to numerically sampling from the Bayesian posterior, and the application of this approach to the first-year data from the Wilkinson Microwave Anisotropy Probe. I will also comment on recent algorithmic developments for this approach to be tractable for the even more massive data set to be returned from the Planck satellite.
Consistency-based diagnosis relies heavily on the assumption that discrepancies between model predictions and sensor observations can be detected accurately. When sources of uncertainty like sensor noise and model abstraction exist robust schemes have to be designed to make a binary decision on whether predictions are consistent with observations. This risks the occurrence of false alarms and missed alarms when an erroneous decision is made. Moreover when multiple sensors (with differing sensing properties) are available the degree of match between predictions and observations can be used to guide the search for fault candidates. In this paper we propose a novel approach to handle this problem using Bayesian networks. In the consistency- based diagnosis formulation, automatically generated Bayesian networks are used to encode a probabilistic measure of fit between predictions and observations. A Bayesian network inference algorithm is used to compute most probable fault candidates.
The building of the NASA Orbital Debris Engineering Model, whether ORDEM2000 or its recently updated version ORDEM2010, uses as its foundation a number of model debris populations, each truncated at a minimum object-size ranging from 10 micron to 1 m. This paper discusses the development of the ORDEM2010 model debris populations in LEO (low Earth orbit), focusing on centimeter (smaller than 10 cm) and millimeter size regimes. Primary data sets used in the statistical derivation of the cm- and mm-size model populations are from the Haystack radar operated in a staring mode. Unlike cataloged objects of sizes greater than approximately 10 cm, ground-based radars monitor smaller-size debris only in a statistical manner instead of tracking every piece. The mono-static Haystack radar can detect debris as small as approximately 5 mm at moderate LEO altitudes. Estimation of millimeter debris populations (for objects smaller than approximately 6 mm) rests largely on Goldstone radar measurements. The bi-static Goldstone radar can detect 2- to 3-mm objects. The modeling of the cm- and mm-debris populations follows the general approach to developing other ORDEM2010-required model populations for various components and types of debris. It relies on appropriate reference populations to provide necessary prior information on the orbital structures and other important characteristics of the debris objects. NASA's LEO-to-GEO Environment Debris (LEGEND) model is capable of furnishing such reference populations in the desired size range. A Bayesian statistical inference process, commonly adopted in ORDEM2010 model-population derivations, changes a priori distribution into a posteriori distribution and thus refines the reference populations in terms of data. This paper describes key elements and major steps in the statistical derivations of the cm- and mm-size debris populations and presents results. Due to lack of data for near 1-mm sizes, the model populations of 1- to 3.16-mm objects are an empirical extension from larger debris. The extension takes into account the results of micro-debris (from 10 micron to 1 mm) population modeling that is based on shuttle impact data, in the hope of making a smooth transition between micron and millimeter size regimes. This paper also includes a brief discussion on issues and potential future work concerning the analysis and interpretation of Goldstone radar data.
We consider in this work the probabilistic approach to model-based diagnosis when applied to electrical power systems (EPSs). Our probabilistic approach is formally well-founded, as it based on Bayesian networks and arithmetic circuits. We investigate the diagnostic task known as fault isolation, and pay special attention to meeting two of the main challenges . model development and real-time reasoning . often associated with real-world application of model-based diagnosis technologies. To address the challenge of model development, we develop a systematic approach to representing electrical power systems as Bayesian networks, supported by an easy-to-use speci.cation language. To address the real-time reasoning challenge, we compile Bayesian networks into arithmetic circuits. Arithmetic circuit evaluation supports real-time diagnosis by being predictable and fast. In essence, we introduce a high-level EPS speci.cation language from which Bayesian networks that can diagnose multiple simultaneous failures are auto-generated, and we illustrate the feasibility of using arithmetic circuits, compiled from Bayesian networks, for real-time diagnosis on real-world EPSs of interest to NASA. The experimental system is a real-world EPS, namely the Advanced Diagnostic and Prognostic Testbed (ADAPT) located at the NASA Ames Research Center. In experiments with the ADAPT Bayesian network, which currently contains 503 discrete nodes and 579 edges, we .nd high diagnostic accuracy in scenarios where one to three faults, both in components and sensors, were inserted. The time taken to compute the most probable explanation using arithmetic circuits has a small mean of 0.2625 milliseconds and standard deviation of 0.2028 milliseconds. In experiments with data from ADAPT we also show that arithmetic circuit evaluation substantially outperforms joint tree propagation and variable elimination, two alternative algorithms for diagnosis using Bayesian network inference.
Abstract not provided.
We develop Microcanonical Hamiltonian Monte Carlo (MCHMC), a class of models that follow fixed energy Hamiltonian dynamics, in contrast to Hamiltonian Monte Carlo (HMC), which follows canonical distribution with different energy levels. MCHMC tunes the Hamiltonian function such that the marginal of the uniform distribution on the constant-energy-surface over the momentum variables gives the desired target distribution. We show that MCHMC requires occasional energy-conserving billiard-like momentum bounces for ergodicity, analogous to momentum resampling in HMC. We generalize the concept of bounces to a continuous version with partial direction preserving bounces at every step, which gives energy-conserving underdamped Langevin-like dynamics with non-Gaussian noise (MCLMC). MCHMC and MCLMC exhibit favorable scalings with condition number and dimensionality. We develop an efficient hyperparameter tuning scheme that achieves high performance and consistently outperforms NUTS HMC on several standard benchmark problems, in some cases by orders of magnitude.
The Monte Carlo method delivers an unbiased estimate of the probability of failure. However, the variance of the estimate depends on the number of evaluated samples. This number must be very large for estimations of a low probability of failure. If the evaluation of each sample is computationally expensive, the crude Monte Carlo simulation strategy is impracticable. Therefore, subset simulations are used to reduce the required number of evaluations. Subset simulations require a Markov Chain Monte Carlo sampler, such as the random walk Metropolis-Hastings algorithm. The algorithm, however, struggles with sampling in low-probability regions, especially if they are narrow. As a consequence, advanced Markov Chain Monte Carlo simulations have been developed. In particular, the Hamiltonian Monte Carlo method explores the target distribution rapidly. Driven by the idea of Hamiltonian dynamics, this sampler provides a non-random walk through the target distribution. The incorporation of subset simulation and Hamiltonian Monte Carlo methods has shown promising results for reliability analysis. One downside of the Hamiltonian Monte Carlo method is that gradient evaluations are computationally expensive, especially when dealing with high-dimensional problems and evaluating long trajectories. We show that integrating Hamiltonian neural networks in Hamiltonian Monte Carlo simulations significantly speeds up the sampling task. Furthermore, the enhancement of adaptive trajectory length within the Hamiltonian Monte Carlo results in the efficient proposal of the following states. Based on this recent enhancement, we provide a fast sampling strategy for subset simulations using Hamiltonian neural networks to replace the evaluation of the gradient and significantly speed up the Hamiltonian Monte Carlo simulation.
To comply with the international planetary protection policy set forth by the Committee on Space Research and NASA Agency level requirements, spacecraft destined to biologically sensitive planetary bodies have to minimize terrestrial biological contamination. Analysis, testing and inspection are the standard forward verification activities that are used to demonstrate compliance with the biological contamination requirements. For testing of spacecraft surface areas, a swab or wipe sample is collected from surfaces prior to last access and subsequently processed in the lab using NASA Approved Planetary Protection Methods for Culture Based Assays. Raw data resulting from this assay is then statistically treated employing a mathematical paradigm stemming from the 1970’s Viking Lander Project to generate the bioburden density and total microbial bioburden present. This standard approach arbitrarily accounts for error and provides an upper conservative bound as it reports the maximum number of spores estimated to be present on flight hardware surfaces. A bioburden density estimate factors in the following variables: the observed bioburden count, representative volume processed, sampling efficiencies. Notably, to account for error in the approach, a 0 observed count is arbitrarily changed to a count of 1 for each hardware grouping. The data generated by spacecraft bioburden verification campaigns in the past have resulted in <80% of wipes and <90% of swabs containing a bioburden count of 0. As such, having a robust and well documented statistical approach for dealing with the probability of low incident rates is necessary to be able to estimate spacecraft bioburden. Being able to statistically describe the bioburden distribution and associated confidence level is a gamechanger for the development of bioburden allocations during mission design and will allow for tighter management of risk throughout spacecraft build. Thus, Empirical Bayes statistical approach was evaluated to estimate the microbial bioburden on spacecraft to mitigate the aforementioned mathematical concerns and provide a probabilistic bioburden distribution of the flight hardware surface. For application of this approach to performing bioburden calculations, a range of non-informative prior assumptions on hardware surfaces are explored for Bayesian analyses while informative priors using posterior distributions from prior assays are utilized for Empirical Bayes analyses. Several non-informative priors are currently under investigation to assess fitness including use of these priors to serve as a foundation to build off of NASA specification values or a basis of risk to account for unknowns during the integration and testing process. Informative priors under consideration are generated using sampled bioburden values from hardware originating within like processing environments (e.g. vendor cleaning process or similar assembly process), temporal spacecraft status events as a prediction for hardware cleanliness of future samples, and heritage system bioburden actuals to predict allocation for subsequent missions. Informative priors and probabilistic bioburden distributions are then validated using data sets from the Mars Exploration Rover, Mars Science Laboratory, and InSight missions. Using Empirical Bayes approach to generate a probabilistic bioburden distribution as demonstrated through mission use cases provides a valid approach for use in the end-to-end requirements verification process.
Quantum state tomography (QST) allows for the reconstruction of quantum states through measurements and some inference technique under the assumption of repeated state preparations. Bayesian inference provides a promising platform to achieve both efficient QST and accurate uncertainty quantification, yet is generally plagued by the computational limitations associated with long Markov chains. In this work, we present a novel Bayesian QST approach that leverages modern distributed parallel computer architectures to efficiently sample a D-dimensional Hilbert space. Using a parallelized preconditioned Crank–Nicholson Metropolis–Hastings algorithm, we demonstrate our approach on simulated data and experimental results from IBM Quantum systems up to four qubits, showing significant speedups through parallelization. Although highly unorthodox in pooling independent Markov chains, our method proves remarkably practical, with validation ex post facto via diagnostics like the intrachain autocorrelation time. We conclude by discussing scalability to higher-dimensional systems, offering a path toward efficient and accurate Bayesian characterization of large quantum systems.
We investigate the use of approximate Bayesian neural networks (BNNs) in modeling hundreds of time delay gravitational lenses for Hubble constant (H 0 ) determination. Here, our BNN was trained on synthetic Hubble Space Telescope quality images of strongly lensed active galactic nuclei with lens galaxy light included. The BNN can accurately characterize the posterior probability density functions (PDFs) of model parameters governing the elliptical power-law mass profile in an external shear field. We then propagate the BNN-inferred posterior PDFs into an ensemble H 0 inference, using simulated time delay measurements from a plausible dedicated monitoring campaign. Assuming well-measured time delays and a reasonable set of priors on the environment of the lens, we achieve a median precision of 9.3% per lens in the inferred H 0 . A simple combination of a set of 200 test lenses results in a precision of 0.5 km s –1 Mpc –1 (0.7%), with no detectable bias in this H 0 recovery test. The computation time for the entire pipeline—including the generation of the training set, BNN training and H0 inference—translates to 9 minutes per lens on average for 200 lenses and converges to 6 minutes per lens as the sample size is increased. Being fully automated and efficient, our pipeline is a promising tool for exploring ensemble-level systematics in lens modeling for H 0 inference.