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At least 1,333 records · Page 74

Sparsifying priors for Bayesian uncertainty quantification in model discovery

We propose a probabilistic model discovery method for identifying ordinary differential equations governing the dynamics of observed multivariate data. Our method is based on the sparse identification of nonlinear dynamics (SINDy) framework, where models are expressed as sparse linear combinations of pre-specified candidate functions. Promoting parsimony through sparsity leads to interpretable models that generalize to unknown data. Instead of targeting point estimates of the SINDy coefficients, we estimate these coefficients via sparse Bayesian inference. The resulting method, uncertainty quantification SINDy (UQ-SINDy), quantifies not only the uncertainty in the values of the SINDy coefficients due to observation errors and limited data, but also the probability of inclusion of each candidate function in the linear combination. UQ-SINDy promotes robustness against observation noise and limited data, interpretability (in terms of model selection and inclusion probabilities) and generalization capacity for out-of-sample forecast. Sparse inference for UQ-SINDy employs Markov chain Monte Carlo, and we explore two sparsifying priors: the spike and slab prior, and the regularized horseshoe prior. UQ-SINDy is shown to discover accurate models in the presence of noise and with orders-of-magnitude less data than current model discovery methods, thus providing a transformative method for real-world applications which have limited data.

97 MATHEMATICS AND COMPUTING↗

Constraining physical models at gigabar pressures

High-energy-density (HED) experiments in convergent geometry are able to test physical models at pressures beyond hundreds of millions of atmospheres. The measurements from these experiments are generally highly integrated and require unique analysis techniques to procure quantitative infor mation. This work describes a methodology to constrain the physics in convergent HED experiments by adapting the methods common to many other fields of physics. As an example, a mechanical model of an imploding shell is constrained by data from a thin-shelled direct-drive exploding-pusher experiment on the OMEGA Laser System using Bayesian inference, resulting in the reconstruction of the shell dynamics and energy transfer during the implosion. The model is tested by analyzing synthetic data from a 1-D hydrodynamics code and is sampled using a Markov chain Monte Carlo to generate the posterior distributions of the model parameters. As a result, the goal of this work is to demonstrate a general methodology that can be used to draw conclusions from a wide variety of HED experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

SU-F-T-132: Variable RBE Models Predict Possible Underestimation of Vaginal Dose for Anal Cancer Patients Treated Using Single-Field Proton Treatments

Purpose: Anal cancer patients treated using a posterior proton beam may be at risk of vaginal wall injury due to the increased linear energy transfer (LET) and relative biological effectiveness (RBE) at the beam distal edge. We investigate the vaginal dose received. Methods: Five patients treated for anal cancer with proton pencil beam scanning were considered, all treated to a prescription dose of 54 Gy(RBE) over 28–30 fractions. Dose and LET distributions were calculated using the Monte Carlo simulation toolkit TOPAS. In addition to the standard assumption of a fixed RBE of 1.1, variable RBE was considered via the application of published models. Dose volume histograms (DVHs) were extracted for the planning treatment volume (PTV) and vagina, the latter being used to calculate the vaginal normal tissue complication probability (NTCP). Results: Compared to the assumption of a fixed RBE of 1.1, the variable RBE model predicts a dose increase of approximately 3.3 ± 1.7 Gy at the end of beam range. NTCP parameters for the vagina are incomplete in the current literature, however, inferring value ranges from the existing data we use D{sub 50} = 50 Gy and LKB model parameters a=1–2 and m=0.2–0.4. We estimate the NTCP for the vagina to be 37–48% and 42–47% for the fixed and variable RBE cases, respectively. Additionally, a difference in the dose distribution was observed between the analytical calculation and Monte Carlo methods. We find that the target dose is overestimated on average by approximately 1–2%. Conclusion: For patients treated with posterior beams, the vaginal wall may coincide with the distal end of the proton beam and may receive a substantial increase in dose if variable RBE models are applied compared to using the current clinical standard of RBE equal to 1.1. This could potentially lead to underestimating toxicities when treating with protons.

60 APPLIED LIFE SCIENCES↗

Constraining Physical Models at Gigabar Pressures

High-energy-density (HED) experiments in convergent geometry are able to test physical models at pressures beyond hundreds of millions of atmospheres. The measurements from these experiments are generally highly integrated and require unique analysis techniques to procure quantitative information. This work describes a methodology to constrain the physics in convergent HED experiments by adapting the methods common to many other fields of physics. As an example, a mechanical model of an imploding shell is constrained by data from a thin-shelled direct-drive exploding-pusher experiment on the OMEGA Laser System using Bayesian inference, resulting in the reconstruction of the shell dynamics and energy transfer during the implosion. The model is tested by analyzing synthetic data from a 1-D hydrodynamics code and is sampled using a Markov chain Monte Carlo to generate the posterior distributions of the model parameters. The goal of this work is to demonstrate a general methodology that can be used to draw conclusions from a wide variety of HED experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Estimating scalar turbulent fluxes with slow-response sensors in the stable atmospheric boundary layer

Conventional and recently developed approaches for estimating turbulent scalar fluxes under stable atmospheric conditions are evaluated, with a focus on gases for which fast sensors are not readily available. First, the relaxed eddy accumulation (REA) classical approach and a recently proposed mixing length parameterization, labeled A22, are tested against eddy-covariance computations. Using high-frequency measurements collected from two contrasting sites (the frozen tundra near Utqiaġvik, Alaska, and a sparsely vegetated grassland in Wendell, Idaho, during winter), it is shown that the REA and A22 models outperform the conventional Monin–Obukhov similarity theory (MOST) utilized widely to infer fluxes from mean gradients. Second, scenarios where slow trace gas sensors are the only viable option in field measurements are investigated using digital filtering applied to fast-response sensors to simulate their slow-response counterparts. With a filtered scalar signal, the observed filtered eddy-covariance fluxes are referred to here as large-eddy-covariance (LEC) fluxes. A virtual eddy accumulation (VEA) approach, akin to the REA model but not requiring a mechanical apparatus to separate the gas flows, is also formulated and tested. A22 outperforms VEA and LEC in predicting the observed unfiltered (total) eddy-covariance (EC) fluxes; however, VEA can still capture the LEC fluxes well. This finding motivates the introduction of a sensor response time correction into the VEA formulation to offset the effect of sensor filtering on the underestimated net averaged fluxes. The only needed parameter for this correction is the mean velocity at the instrument height, a surrogate of the advective timescale. The VEA approach is very suitable and simple to use with gas sensors of intermediate speed (∼ 0.5 to 1 Hz) and with conventional open- or closed-path setups.

58 GEOSCIENCES↗

Neural simulation-based inference approach for characterizing the Galactic Center γ-ray excess

The nature of the Fermi γ-ray Galactic Center Excess (GCE) has remained a persistent mystery for over a decade. Although the excess is broadly compatible with emission expected due to dark matter annihilation, an explanation in terms of a population of unresolved astrophysical point sources e.g., millisecond pulsars, remains viable. The effort to uncover the origin of the GCE is hampered in particular by an incomplete understanding of diffuse emission of Galactic origin. This can lead to spurious features that make it difficult to robustly differentiate smooth emission, as expected for a dark matter origin, from more “clumpy” emission expected from a population of relatively bright, unresolved point sources. Here, we use recent advancements in the field of simulation-based inference, in particular density estimation techniques using normalizing flows, in order to characterize the contribution of modeled components, including unresolved point source populations, to the GCE. Compared to traditional techniques based on the statistical distribution of photon counts, our machine learning-based method is able to utilize more of the information contained in a given model of the Galactic Center emission, and in particular can perform posterior parameter estimation while accounting for pixel-to-pixel spatial correlations in the γ-ray map. This makes the method demonstrably more resilient to certain forms of model misspecification. On application to Fermi data, the method generically attributes a smaller fraction of the GCE flux to unresolved point sources when compared to traditional approaches. We nevertheless infer such a contribution to make up a non-negligible fraction of the GCE across all analysis variations considered, with at least $38^{+9}_{-19}$% of the excess attributed to unresolved point sources in our baseline analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

β − decay of exotic P and S isotopes with neutron number near 28

β - decay of very neutron-rich isotopes of P and S, studied at the National Superconducting Cyclotron Laboratory (NSCL) using the Beta Counting Station (BCS) consisting of a Double Sided Strip Detector surrounded by clovers detectors for observing delayed γ transitions is reported here. β-decay half-lifes and delayed neutron emission probabilities were extracted for 42,43,44 P and 44,46 S by analyzing spatial and temporal correlations between implants and decay events in the Si detector with further coincidence with γ transitions. Detection of delayed γ rays allowed for the identification of negative parity 1p1h states in 42 S for the first time, also constraining the parent ( 42 P) spin/parity to 2 - or 3 - . For the most exotic isotope studied, 46 S, no strong γ transition was observed unlike lighter even-even S isotopes, thus implying the shift of Gamow Teller (GT) strength distribution to higher energies. In conclusion, comparison of experimental observations to detailed shell-model calculations using the SDPFSDG-MU interaction allowed us to infer the importance and role of First Forbidden (FF) β transitions as the neutron number approaches and then exceeds N = 28.

39 ≤ A ≤ 58↗

Modeling the influence of preferential flow on the spatial variability and time-dependence of mineral weathering rates

Inferences of weathering rates from laboratory and field observations suggest significant scale and time-dependence. Preferential flow induced by heterogeneity (manifest as permeability variations or discrete fractures) has been suggested as one potential mechanism causing scale/time-dependence. In this paper, we present a quantitative evaluation of the influence of preferential flow on weathering rates using reactive transport modeling. Simulations were performed in discrete fracture networks (DFNs) and correlated random permeability fields (CRPFs), and compared to simulations in homogeneous permeability fields. The simulations reveal spatial variability in the weathering rate, multidimensional distribution of reactions zones, and the formation of rough weathering interfaces and corestones due to preferential flow. In the homogeneous fields and CRPFs, the domain-averaged weathering rate is initially constant as long as the weathering front is contained within the domain, reflecting equilibrium-controlled behavior. The behavior in the CRPFs was influenced by macrodispersion, with more spread-out weathering profiles, an earlier departure from the initial constant rate and longer persistence of weathering. DFN simulations exhibited a sustained time-dependence resulting from the formation of diffusion-controlled weathering fronts in matrix blocks, which is consistent with the shrinking core mechanism. A significant decrease in the domain-averaged weathering rate is evident despite high remaining mineral volume fractions, but the decline does not follow a math formula dependence, characteristic of diffusion, due to network scale effects and advection-controlled behavior near the inflow boundary. Finally, the DFN simulations also reveal relatively constant horizontally averaged weathering rates over a significant depth range, challenging the very notion of a weathering front.

54 ENVIRONMENTAL SCIENCES↗

Toward Improving the Generation Quality of Autoregressive Slot VAEs

Unconditional scene inference and generation are challenging to learn jointly with a single compositional model. Despite encouraging progress on models that extract object-centric representations (“slots”) from images, unconditional generation of scenes from slots has received less attention. This is primarily because learning the multiobject relations necessary to imagine coherent scenes is difficult. We hypothesize that most existing slot-based models have a limited ability to learn object correlations. We propose two improvements that strengthen object correlation learning. The first is to condition the slots on a global, scene-level variable that captures higher-order correlations between slots. Second, we address the fundamental lack of a canonical order for objects in images by proposing to learn a consistent order to use for the autoregressive generation of scene objects. Specifically, we train an autoregressive slot prior to sequentially generate scene objects following a learned order. Ordered slot inference entails first estimating a randomly ordered set of slots using existing approaches for extracting slots from images, then aligning those slots to ordered slots generated autoregressively with the slot prior. Our experiments across three multiobject environments demonstrate clear gains in unconditional scene generation quality. Detailed ablation studies are also provided that validate the two proposed improvements.

MATHEMATICS AND COMPUTING↗

Thinking Bayesian for plasma physicists

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

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Bayesian Model Calibration for Extrapolative Prediction via Gibbs Posteriors

The current standard Bayesian approach to model calibration, which assigns a Gaussian process prior to the discrepancy term, often suffers from issues of unidentifiability and computational complexity and instability. When the goal is to quantify uncertainty in physical parameters for extrapolative prediction, then there is no need to perform inference on the discrepancy term. With this in mind, we introduce Gibbs posteriors as an alternative Bayesian method for model calibration, which updates the prior with a loss function connecting the data to the parameter. The target of inference is the physical parameter value which minimizes the expected loss. We propose to tune the loss scale of the Gibbs posterior to maintain nominal frequentist coverage under assumptions of the form of model discrepancy, and present a bootstrap implementation for approximating coverage rates. Our approach is highly modular, allowing an analyst to easily encode a wide variety of such assumptions. Furthermore, we provide a principled method of combining posteriors calculated from data subsets. We apply our methods to data from an experiment measuring the material properties of tantalum.

36 MATERIALS SCIENCE↗

Learning robust parameter inference and density reconstruction in flyer plate impact experiments

Estimating physical parameters or material properties from experimental observations is a common objective in many areas of physics and material science. In many experiments, especially in shock physics, radiography is the primary means of observing the system of interest. However, radiography does not provide direct access to key state variables, such as density, which prevents the application of traditional parameter estimation approaches. Here we focus on flyer plate impact experiments on porous materials, and resolving the underlying parameterized equation of state (EoS) and crush porosity model parameters given radiographic observation(s). We use machine learning as a tool to demonstrate with high confidence that using only high impact velocity data does not provide sufficient information to accurately infer both EoS and crush model parameters, even with fully resolved density fields or a dynamic sequence of images. We thus propose an observable data set consisting of low and high impact velocity experiments/simulations that capture different regimes of compaction and shock propagation, and proceed to introduce a generative machine learning approach which produces a posterior distribution of physical parameters directly from radiographs. We demonstrate the effectiveness of the approach in estimating parameters from simulated flyer plate impact experiments, and show that the obtained estimates of EoS and crush model parameters can then be used in hydrodynamic simulations to obtain accurate and physically admissible density reconstructions. Finally, we examine the robustness of the approach to model mismatches, and find that the learned approach can provide useful parameter estimates in the presence of out-of-distribution radiographic noise and previously unseen physics, thereby promoting a potential breakthrough in estimating material properties from experimental radiographic images.

97 MATHEMATICS AND COMPUTING↗

Solving Stochastic Inverse Problems for Property–Structure Linkages Using Data-Consistent Inversion and Machine Learning

Determining process–structure–property linkages is one of the key objectives in material science, and uncertainty quantification plays a critical role in understanding both process–structure and structure–property linkages. In this work, we seek to learn a distribution of microstructure parameters that are consistent in the sense that the forward propagation of this distribution through a crystal plasticity finite element model matches a target distribution on materials properties. This stochastic inversion formulation infers a distribution of acceptable/consistent microstructures, as opposed to a deterministic solution, which expands the range of feasible designs in a probabilistic manner. Furthermore, to solve this stochastic inverse problem, we employ a recently developed uncertainty quantification framework based on push-forward probability measures, which combines techniques from measure theory and Bayes’ rule to define a unique and numerically stable solution. This approach requires making an initial prediction using an initial guess for the distribution on model inputs and solving a stochastic forward problem. To reduce the computational burden in solving both stochastic forward and stochastic inverse problems, we combine this approach with a machine learning Bayesian regression model based on Gaussian processes and demonstrate the proposed methodology on two representative case studies in structure–property linkages.

36 MATERIALS SCIENCE↗

Explaining the trends and variability in the United States tornado records using climate teleconnections and shifts in observational practices

The annual frequency of tornadoes during 1950–2018 across the major tornado-impacted states were examined and modeled using anthropogenic and large-scale climate covariates in a hierarchical Bayesian inference framework. Anthropogenic factors include increases in population density and better detection systems since the mid-1990s. Large-scale climate variables include El Niño Southern Oscillation (ENSO), Southern Oscillation Index (SOI), North Atlantic Oscillation (NAO), Pacific Decadal Oscillation (PDO), Arctic Oscillation (AO), and Atlantic Multi-decadal Oscillation (AMO). The model provides a robust way of estimating the response coefficients by considering pooling of information across groups of states that belong to Tornado Alley, Dixie Alley, and Other States, thereby reducing their uncertainty. The influence of the anthropogenic factors and the large-scale climate variables are modeled in a nested framework to unravel secular trend from cyclical variability. Population density explains the long-term trend in Dixie Alley. The step-increase induced due to the installation of the Doppler Radar systems explains the long-term trend in Tornado Alley. NAO and the interplay between NAO and ENSO explained the interannual to multi-decadal variability in Tornado Alley. PDO and AMO are also contributing to this multi-time scale variability. SOI and AO explain the cyclical variability in Dixie Alley. This improved understanding of the variability and trends in tornadoes should be of immense value to public planners, businesses, and insurance-based risk management agencies.

54 ENVIRONMENTAL SCIENCES↗

H{sub 2}CO Distribution and Formation in the TW HYA Disk

H{sub 2}CO is one of the most readily detected organic molecules in protoplanetary disks. Yet its distribution and dominant formation pathway(s) remain largely unconstrained. To address these issues, we present ALMA observations of two H{sub 2}CO lines (3{sub 12}--2{sub 11} and 5{sub 15}--4{sub 14}) at 0.″5 (∼30 au) spatial resolution toward the disk around the nearby T Tauri star TW Hya. Emission from both lines is spatially resolved, showing a central depression, a peak at 0.″4 radius, and a radial decline at larger radii with a bump at ∼1″, near the millimeter continuum edge. We adopt a physical model for the disk and use toy models to explore the radial and vertical H{sub 2}CO abundance structure. We find that the observed emission implies the presence of at least two distinct H{sub 2}CO gas reservoirs: (1) a warm and unresolved inner component (<10 au), and (2) an outer component that extends from ∼15 au to beyond the millimeter continuum edge. The outer component is further constrained by the line ratio to arise in a more elevated disk layer at larger radii. The inferred H{sub 2}CO abundance structure agrees well with disk chemistry models, which predict efficient H{sub 2}CO gas-phase formation close to the star, and cold H{sub 2}CO grain surface formation, through H additions to condensed CO, followed by non-thermal desorption in the outer disk. The implied presence of active grain surface chemistry in the TW Hya disk is consistent with the recent detection of CH{sub 3}OH emission, and suggests that more complex organic molecules are formed in disks, as well.

79 ASTRONOMY AND ASTROPHYSICS↗

Capabilities of multivariate Bayesian inference toward seismic hazard assessment

Multivariate Bayesian analysis can bring significant benefits to seismic hazard analysis: Its multivariate feature enables computing scalar and vector hazard without making any approximations; Correlations between intensity measures are implicitly modeled, permitting direct simulation of ground motion selection tools such as the conditional mean spectrum and the generalized conditioning intensity measure; and Its updating feature enables a seamless integration of new ground motion data into the hazard results. Here, we first develop a multivariate Bayesian ground motion model through the NGA-West2 database. The model functional form considers fault-type, magnitude, and distance dependencies, and also the linear and the rock intensity dependent site response. We use a hybrid Markov Chain Monte Carlo sampling to perform Bayesian inference consisting of Gibbs step and a multilevel Metropolis-Hastings step. We then perform several checks on the model and note that its performance is satisfactory. Finally, we illustrate the merits of this multivariate Bayesian analysis, which include: ground motion model updating with ground motion data recorded in the last four years not part of the NGA-West2 database; computation of scalar and vector seismic hazard using the un-updated and updated ground motion models for Los Angeles, CA; and simulation of the conditional mean spectrum under scalar and vector IM conditioning while accounting for different sources of aleatoric and epistemic uncertainties.

58 GEOSCIENCES↗

Selecting Appropriate Model Complexity: An Example of Tracer Inversion for Thermal Prediction in Enhanced Geothermal Systems

Abstract A major challenge in the inversion of subsurface parameters is the ill‐posedness issue caused by the inherent subsurface complexities and the generally spatially sparse data. Appropriate simplifications of inversion models are thus necessary to make the inversion process tractable and meanwhile preserve the predictive ability of the inversion results. In this study, we investigate the effect of model complexity on fracture aperture inversion and thermal performance prediction in a field‐scale EGS model. Principal component analysis was used to map the aperture field to a low‐dimensional latent space. The complexity of the inversion model was quantitatively represented by the percentage of total variance in the original aperture fields preserved by the latent space. Tracer, pressure and flow rate data were used to invert for fracture aperture through an ensemble‐based inversion method, and the inferred aperture field was used to predict thermal performance. With an over‐simplified aperture model, ensemble collapse occurred. The inverted aperture models failed to resolve necessary flow and transport features, leading to a biased thermal performance prediction. A complex aperture model involved excessive features and was prone to overinterpreting the inversion data. Both the tracer/pressure/flow rate data reproduction and thermal prediction showed significant uncertainties, making it difficult to properly estimate long‐term thermal performance. Fortunately, our results indicate that there exists an appropriate model complexity which can simultaneously match inversion data and predict thermal performance with an acceptable uncertainty. The quality of the fit of tracer data appears to be a useful indicator of such an appropriate model complexity.

15 GEOTHERMAL ENERGY↗

Normalizing flows for likelihood-free inference with fusion simulations

Fluid-based scrape-off layer transport codes, such as UEDGE, are heavily utilized in tokamak analysis and design, but typically require user-specified anomalous transport coefficients to match experiments. Determining the uniqueness of these parameters and the uncertainties in them to match experiments can provide valuable insights to fusion scientists. Here, we leverage recent work in the area of likelihood-free inference (‘simulation-based inference’) to train a neural network, which enables accurate statistical inference of the anomalous transport coefficients given experimental plasma profile input. UEDGE is treated as a black-box simulator and runs multiple times with anomalous transport coefficients sampled from priors, and the neural network is trained on these simulations to emulate the posterior. The neural network is trained as a normalizing flow model for density estimation, allowing it to accurately represent complicated, high-dimensional distribution functions. With a fixed simulation budget, we compare a single-round procedure to a multi-round approach that guides the training simulations toward a specific target observation. Finally, we discuss the future possibilities for use of amortized models, which train on a wide range of simulations and enable fast statistical inference for results during experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗