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At least 127 records · Page 7

Simulation-based optimal Bayesian experimental design for nonlinear systems

The optimal selection of experimental conditions is essential to maximizing the value of data for inference and prediction, particularly in situations where experiments are time-consuming and expensive to conduct. We propose a general mathematical framework and an algorithmic approach for optimal experimental design with nonlinear simulation-based models; in particular, we focus on finding sets of experiments that provide the most information about targeted sets of parameters. Our framework employs a Bayesian statistical setting, which provides a foundation for inference from noisy, indirect, and incomplete data, and a natural mechanism for incorporating heterogeneous sources of information. An objective function is constructed from information theoretic measures, reflecting expected information gain from proposed combinations of experiments. Polynomial chaos approximations and a two-stage Monte Carlo sampling method are used to evaluate the expected information gain. Stochastic approximation algorithms are then used to make optimization feasible in computationally intensive and high-dimensional settings. These algorithms are demonstrated on model problems and on nonlinear parameter inference problems arising in detailed combustion kinetics.

97 MATHEMATICS AND COMPUTING↗

Estimation of process steady state with autoregressive models and Bayesian inference

To improve efficiency, separations engineers will typically design process circuits containing recirculating streams, which mix one or more of the process outputs with the feed material. Doing so can improve efficiency, but will cause a delay in the system reaching steady state conditions until the recirculating load mass flows stabilize. In testing separation circuits, engineers will often test a variety of factors and complete an analysis from sample results. Knowledge of if a process is at steady state, as well as the steady state conditions of a process, is essential for a valid techno-economic analysis. However, the definition of process steady state is often poorly defined, or does not include uncertainty quantification. If the performance of a process operating under two different sets of conditions are compared, an engineer who does not test for steady state or quantify steady state conditions risks producing a faulty analysis. In this work, a Bayesian statistical method for testing if all streams are at steady state is further motivated and then derived. Then after testing for steady state, the same model is used with a prior distribution that enforces a steady state assumption to estimate steady state conditions. Further, these methods were validated in a solvent extraction pilot plant where steady state conditions for all outflows were inferred with uncertainty quantification. Analysis is completed with functions available to the reader as part of the BayesMassBal (V 1.1.0) software package written in R.

01 COAL, LIGNITE, AND PEAT↗

Bayesian Evaluation Including Covariance Matrices of Neutron-induced Reaction Cross Sections of {sup 181}Ta

A new evaluation of neutron-induced reactions on {sup 181}Ta using a consistent procedure based on Bayesian statistics is presented. Starting point of the evaluation is the description of nuclear reactions via nuclear models implemented in TALYS 1.4. A retrieval of experimental data was performed and covariance matrices of the experiments were generated from an extensive study of the corresponding literature. All reaction channels required for a transport file up to 200 MeV have been considered and the covariance matrices of cross section uncertainties for the most important channels are determined. The evaluation has been performed in one step including all available experimental data. A comparison of the evaluated cross sections and spectra with experimental data and available evaluations is performed. In general the evaluated cross section reflect our best knowledge and give a fair description of the observables. However, there are few deviations from expectation which clearly indicate the impact of the prior and the need to account for model defects. Using the results of the evaluation a complete ENDF-file similarly to those of the TENDL library is generated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Phenomenological constraints on the bulk viscosity of QCD

While small at very high temperature, the bulk viscosity of Quantum Chromodynamics is expected to grow in the confinement region. Although its precise magnitude and temperature-dependence in the cross-over region is not fully understood, recent theoretical and phenomenological studies provided evidence that the bulk viscosity can be sufficiently large to have measurable consequences on the evolution of the quark-gluon plasma. In this study, a Bayesian statistical analysis is used to establish probabilistic constraints on the temperature-dependence of bulk viscosity using hadronic measurements from RHIC and LHC.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Reweighting the Sivers function with jet data from STAR

The reweighting procedure that using Bayesian statistics incorporates the information contained in a new data set, without the need of re-fitting, is applied to the quark Sivers function extracted from Semi-Inclusive Deep Inelastic Scattering (SIDIS) data. We exploit the recently published single spin asymmetry data for the inclusive jet production in polarized pp collisions from the STAR Collaboration at RHIC, which cover a much wider x region compared to SIDIS measurements. The reweighting method is extended to the case of asymmetric errors and the results show a remarkable improvement of the knowledge of the quark Sivers function.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Confronting the Challenge of Modeling Cloud and Precipitation Microphysics

In the atmosphere, microphysics refers to the microscale processes that affect cloud and precipitation particles and is a key linkage among the various components of Earth’s atmospheric water and energy cycles. The representation of microphysical processes in models continues to pose a major challenge leading to uncertainty in numerical weather forecasts and climate simulations. In this paper, the problem of treating microphysics in models is divided into two parts: i) how to represent the population of cloud and precipitation particles, given the impossibility of simulating all particles individually within a cloud, and ii) uncertainties in the microphysical process rates owing to fundamental gaps in knowledge of cloud physics. The recently-developed Lagrangian particle-based method is advocated as a way to address several conceptual and practical challenges of representing particle populations using traditional bulk and bin microphysics parameterization schemes. For addressing critical gaps in cloud physics knowledge, sustained investment for observational advances from laboratory experiments, new probe development, and next-generation instruments in space is needed. Greater emphasis on laboratory work, which has apparently declined over the past several decades relative to other areas of cloud physics research, is argued to be an essential ingredient for improving process-level understanding. More systematic use of natural cloud and precipitation observations to constrain microphysics schemes is also advocated. Because it is generally difficult to quantify individual microphysical process rates from these observations directly, this presents an inverse problem that can be viewed from the standpoint of Bayesian statistics. Following this idea, a probabilistic framework is proposed that combines elements from statistical and physical modeling. Besides providing rigorous constraint of schemes, there is an added benefit of quantifying uncertainty systematically. Finally, a broader hierarchical approach is proposed to accelerate improvements in microphysics schemes, leveraging the advances described in this paper related to process modeling (using Lagrangian particle-based schemes), laboratory experimentation, cloud and precipitation observations, and statistical methods.

54 ENVIRONMENTAL SCIENCES↗

Bayesian tomography of high-dimensional on-chip biphoton frequency combs with randomized measurements

Abstract Owing in large part to the advent of integrated biphoton frequency combs, recent years have witnessed increased attention to quantum information processing in the frequency domain for its inherent high dimensionality and entanglement compatible with fiber-optic networks. Quantum state tomography of such states, however, has required complex and precise engineering of active frequency mixing operations, which are difficult to scale. To address these limitations, we propose a solution that employs a pulse shaper and electro-optic phase modulator to perform random operations instead of mixing in a prescribed manner. We successfully verify the entanglement and reconstruct the full density matrix of biphoton frequency combs generated from an on-chip Si 3 N 4 microring resonator in up to an 8 × 8-dimensional two-qudit Hilbert space, the highest dimension to date for frequency bins. More generally, our employed Bayesian statistical model can be tailored to a variety of quantum systems with restricted measurement capabilities, forming an opportunistic tomographic framework that utilizes all available data in an optimal way.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Precision mass measurement of lightweight self-conjugate nucleus 80 Zr

Protons and neutrons in the atomic nucleus move in shells analogous to the electronic shell structures of atoms. The nuclear shell structure varies due to changes of the nuclear mean field with the number of neutrons N and protons Z, and these variations can be probed by measuring mass differences between nuclei. The N=Z=40 self-conjugate nucleus 80 Zr is of particular interest as its proton and neutron shell structures are expected to be very similar, and its ground state is highly deformed. Here, we provide evidence for the existence of a deformed double shell closure in 80Zr through high precision Penning trap mass measurements of 80-83 Zr. Our mass values show that 80Zr is significantly lighter, and thus more strongly bound than predicted. This can be attributed to the deformed shell closure at N=Z=40 and the large Wigner energy. A statistical Bayesian model mixing analysis employing several global nuclear mass models demonstrates difficulties with reproducing the observed mass anomaly using current theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A probabilistic graphical model foundation for enabling predictive digital twins at scale

A unifying mathematical formulation is needed to move from one-off digital twins built through custom implementations to robust digital twin implementations at scale. This work proposes a probabilistic graphical model as a formal mathematical representation of a digital twin and its associated physical asset. We create an abstraction of the asset–twin system as a set of coupled dynamical systems, evolving over time through their respective state spaces and interacting via observed data and control inputs. The formal definition of this coupled system as a probabilistic graphical model enables us to draw upon well-established theory and methods from Bayesian statistics, dynamical systems and control theory. The declarative and general nature of the proposed digital twin model make it rigorous yet flexible, enabling its application at scale in a diverse range of application areas. Here, we demonstrate how the model is instantiated to enable a structural digital twin of an unmanned aerial vehicle (UAV). The digital twin is calibrated using experimental data from a physical UAV asset. Its use in dynamic decision-making is then illustrated in a synthetic example where the UAV undergoes an in-flight damage event and the digital twin is dynamically updated using sensor data. The graphical model foundation ensures that the digital twin calibration and updating process is principled, unified and able to scale to an entire fleet of digital twins.

42 ENGINEERING↗

On a framework for generating PoD curves assisted by numerical simulations

The Probability of Detection (PoD) curve method has emerged as an important tool for the assessment of the performance of NDE techniques, a topic of particular interest to the nuclear industry where inspection qualification is very important. The conventional experimental means of generating PoD curves though, can be expensive, requiring large data sets (covering defects and test conditions), and equipment and operator time. Several methods of achieving faster estimates for PoD curves using physics-based modelling have been developed to address this problem. Numerical modelling techniques are also attractive, especially given the ever-increasing computational power available to scientists today. Here we develop procedures for obtaining PoD curves, assisted by numerical simulation and based on Bayesian statistics. Numerical simulations are performed using Finite Element analysis for factors that are assumed to be independent, random and normally distributed. PoD curves so generated are compared with experiments on austenitic stainless steel (SS) plates with artificially created notches. We examine issues affecting the PoD curve generation process including codes, standards, distribution of defect parameters and the choice of the noise threshold. We also study the assumption of normal distribution for signal response parameters and consider strategies for dealing with data that may be more complex or sparse to justify this. These topics are addressed and illustrated through the example case of generation of PoD curves for pulse-echo ultrasonic inspection of vertical surface-breaking cracks in SS plates.

36 MATERIALS SCIENCE↗

Bayesian calibration of strength parameters using hydrocode simulations of symmetric impact shock experiments of Al-5083

We report that predictive modeling of materials requires accurately parameterized constitutive models. Parameterizing models that describe dynamic strength and plasticity require experimentally probing materials in a variety of strain rate regimes. Some experimental protocols (e.g., plate impact) probe the constitutive response of a material using indirect measures such as free surface velocimetry. Manual efforts to parameterize constitutive models using indirect experimental measures often lead to non-unique optimizations without quantification of parameter uncertainty. This study uses a Bayesian statistical approach to find model parameters and to quantify the uncertainty of the resulting parameters. The technique is demonstrated by parameterizing the Johnson-Cook strength model for aluminum alloy 5083 by coupling hydrocode simulations and velocimetry measurements of a series of plate impact experiments. Simulation inputs and outputs are used to calibrate an emulator that mimics the outputs of the computationally intensive simulations. Varying the amount of experimental data available for emulator calibration showed clear differences in the degree of uncertainty and uniqueness of the resulting optimized Johnson-Cook parameters for Al-5083. The results of the optimization provided a numerical evaluation of the degree of confidence in model parameters and model performance. Lastly, given an understanding of the physical effects of certain model parameters, individual parameter uncertainty can be leveraged to quickly identify gaps in the physical domains covered by completed experiments.

36 MATERIALS SCIENCE↗

Analysis of differential scanning calorimetry data for aged plutonium

Differential scanning calorimetry data for samples of a 52 year old plutonium alloy with 3.3 at. % Ga that were heated beyond the melting point is analyzed using transition state theory to find activation energies for the δ to ε and ε to liquid phase transitions. A Bayesian statistical method involving a Gaussian process model is used to find mean values and confidence intervals for the activation energies. The activation energy for the δ to ε phase transition increases by 3.3 ± 3.8% per decade, relative to the case when all age related plutonium lattice point defects have been removed through annealing. The corresponding increase in activation energy for the ε to liquid transition is shown to be 7.1 ± 1.8% per decade. It is postulated that the change in activation energy with age for both phase transitions is caused, in part, by the accumulation of the same type of lattice point defects associated with the observed increase in elastic bulk modulus over time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NGC 6811: AN INTERMEDIATE-AGE CLUSTER IN THE KEPLER FIELD

NGC 6811 is one of the four open clusters located in the Kepler spacecraft field of view. We obtained UBVRI photometry of the cluster on six nights (four of them photometric) with the 1.08 m Hall and 1.83 m Perkins telescopes at Lowell Observatory. The mean photometric precision ranges from better than 0.01 mag in the V, B - V, V - R, and V - I indices among stars brighter than magnitude 15 to about 0.05 mag for U - B at magnitude 18. We followed a Bayesian statistical approach using the Markov Chain Monte Carlo algorithm to determine the cluster reddening, distance, age, and iron content from a maximum-likelihood fit to stellar isochrones. Using the Yale-Yonsei isochrones, we derived E(B - V) 0.066 {+-} 0.025, (m - M){sub V} = 10.13 {+-} 0.19, age = 1.06 {+-} 0.19 Gyr, and Z = 0.012 {+-} 0.004 ([Fe/H] = -0.18); with the Padova isochrones, we found E(B - V) = 0.081 {+-} 0.015, (m - M){sub V} = 10.31 {+-} 0.11, age = 0.94 {+-} 0.08 Gyr, and Z = 0.012 {+-} 0.002 ([Fe/H] = -0.20). The uncertainties include possible errors in the photometric zero points of {+-}0.01 mag, but do not include uncertainties in the models. Taking into account the differences between the two sets of models, we find the best estimate for the cluster parameters to be E(B - V) = 0.074 {+-} 0.024, (m - M){sub V} = 10.22 {+-} 0.18, age = 1.00 {+-} 0.17 Gyr, and Z = 0.012 {+-} 0.004 ([Fe/H] = -0.19).

79 ASTRONOMY AND ASTROPHYSICS↗

ON THE MASS DISTRIBUTION AND BIRTH MASSES OF NEUTRON STARS

We investigate the distribution of neutron star masses in different populations of binaries, employing Bayesian statistical techniques. In particular, we explore the differences in neutron star masses between sources that have experienced distinct evolutionary paths and accretion episodes. We find that the distribution of neutron star masses in non-recycled eclipsing high-mass binaries as well as of slow pulsars, which are all believed to be near their birth masses, has a mean of 1.28 M{sub Sun} and a dispersion of 0.24 M{sub Sun }. These values are consistent with expectations for neutron star formation in core-collapse supernovae. On the other hand, double neutron stars, which are also believed to be near their birth masses, have a much narrower mass distribution, peaking at 1.33 M{sub Sun }, but with a dispersion of only 0.05 M{sub Sun }. Such a small dispersion cannot easily be understood and perhaps points to a particular and rare formation channel. The mass distribution of neutron stars that have been recycled has a mean of 1.48 M{sub Sun} and a dispersion of 0.2 M{sub Sun }, consistent with the expectation that they have experienced extended mass accretion episodes. The fact that only a very small fraction of recycled neutron stars in the inferred distribution have masses that exceed {approx}2 M{sub Sun} suggests that only a few of these neutron stars cross the mass threshold to form low-mass black holes.

79 ASTRONOMY AND ASTROPHYSICS↗

A BAYESIAN METHOD FOR THE ANALYSIS OF THE DUST EMISSION IN THE FAR-INFRARED AND SUBMILLIMETER

We present a method, based on Bayesian statistics, to fit the dust emission parameters in the far-infrared and submillimeter wavelengths. The method estimates the dust temperature and spectral emissivity index, plus their relationship, properly taking into account the statistical and systematic uncertainties. We test it on three sets of simulated sources detectable by the Herschel Space Observatory in the PACS and SPIRE spectral bands (70-500 {mu}m), spanning over a wide range of dust temperatures. The simulated observations are a one-component interstellar medium and two two-component sources, both warm (H II regions) and cold (cold clumps (CCs)). We first define a procedure to identify the better model, then we recover the parameters of the model and measure their physical correlations by means of a Markov Chain Monte Carlo algorithm adopting multi-variate Gaussian priors. In this process, we assess the reliability of the model recovery and of parameter estimation. We conclude that the model and parameters are properly recovered only under certain circumstances and that false models may be derived in some cases. We applied the method to a set of 91 starless CCs in an interarm region of the Galactic plane with low star formation activity, observed by Herschel in the Hi-GAL survey. Our results are consistent with a temperature-independent spectral index.

79 ASTRONOMY AND ASTROPHYSICS↗

A BAYESIAN APPROACH TO DERIVING AGES OF INDIVIDUAL FIELD WHITE DWARFS

We apply a self-consistent and robust Bayesian statistical approach to determine the ages, distances, and zero-age main sequence (ZAMS) masses of 28 field DA white dwarfs (WDs) with ages of approximately 4-8 Gyr. Our technique requires only quality optical and near-infrared photometry to derive ages with <15% uncertainties, generally with little sensitivity to our choice of modern initial-final mass relation. We find that age, distance, and ZAMS mass are correlated in a manner that is too complex to be captured by traditional error propagation techniques. We further find that the posterior distributions of age are often asymmetric, indicating that the standard approach to deriving WD ages can yield misleading results.

79 ASTRONOMY AND ASTROPHYSICS↗

Upper limits to the magnetic field in central stars of planetary nebulae

More than about 20 central stars of planetary nebulae (CSPNs) have been observed spectropolarimetrically, yet no clear, unambiguous signal of the presence of a magnetic field in these objects has been found. We perform a statistical (Bayesian) analysis of all the available spectropolarimetric observations of CSPN to constrain the magnetic fields in these objects. Assuming that the stellar field is dipolar and that the dipole axis of the objects is oriented randomly (isotropically), we find that the dipole magnetic field strength is smaller than 400 G with 95% probability using all available observations. The analysis introduced allows integration of future observations to further constrain the parameters of the distribution, and it is general, so that it can be easily applied to other classes of magnetic objects. We propose several ways to improve the upper limits found here.

79 ASTRONOMY AND ASTROPHYSICS↗

UNSUPERVISED TRANSIENT LIGHT CURVE ANALYSIS VIA HIERARCHICAL BAYESIAN INFERENCE

Historically, light curve studies of supernovae (SNe) and other transient classes have focused on individual objects with copious and high signal-to-noise observations. In the nascent era of wide field transient searches, objects with detailed observations are decreasing as a fraction of the overall known SN population, and this strategy sacrifices the majority of the information contained in the data about the underlying population of transients. A population level modeling approach, simultaneously fitting all available observations of objects in a transient sub-class of interest, fully mines the data to infer the properties of the population and avoids certain systematic biases. We present a novel hierarchical Bayesian statistical model for population level modeling of transient light curves, and discuss its implementation using an efficient Hamiltonian Monte Carlo technique. As a test case, we apply this model to the Type IIP SN sample from the Pan-STARRS1 Medium Deep Survey, consisting of 18,837 photometric observations of 76 SNe, corresponding to a joint posterior distribution with 9176 parameters under our model. Our hierarchical model fits provide improved constraints on light curve parameters relevant to the physical properties of their progenitor stars relative to modeling individual light curves alone. Moreover, we directly evaluate the probability for occurrence rates of unseen light curve characteristics from the model hyperparameters, addressing observational biases in survey methodology. We view this modeling framework as an unsupervised machine learning technique with the ability to maximize scientific returns from data to be collected by future wide field transient searches like LSST.

79 ASTRONOMY AND ASTROPHYSICS↗