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DOE OSTI2020

Nature Versus Nurture: A Bayesian Framework for Assessing Apparent Correlations between Planetary Orbital Properties and Stellar Ages

Many exoplanets have orbital characteristics quite different from those seen in our own solar system, including planets locked in orbital resonances and planets on orbits that are elliptical or highly inclined from their host star’s spin axis. It is debated whether the wide variety in system architecture is primarily due to differences in formation conditions (nature) or due to evolution over time (nurture). Identifying trends between planetary and stellar properties, including stellar age, can help distinguish between these competing theories and offer insights as to how planets form and evolve. However, it can be challenging to determine whether observed trends between planetary properties and stellar age are driven by the age of the system—pointing to evolution over time being an important factor—or other parameters to which the age may be related, such as stellar mass or stellar temperature. The situation is complicated further by the possibilities of selection biases, small number statistics, uncertainties in stellar age, and orbital evolution timescales that are typically much shorter than the range of observed ages. Here, we develop a Bayesian statistical framework to assess the robustness of such observed correlations and to determine whether they are indeed due to evolutionary processes, are more likely to reflect different formation scenarios, or are merely coincidental. We apply this framework to reported trends between stellar age and 2:1 orbital resonances, spin–orbit misalignments, and hot Jupiters’ orbital eccentricities. We find strong support for the nurture hypothesis only in the final case.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1980

Failure detection system design methodology

The design of a failure detection and identification system consists of designing a robust residual generation process and a high performance decision making process. The design of these two processes are examined separately. Residual generation is based on analytical redundancy. Redundancy relations that are insensitive to modelling errors and noise effects are important for designing robust residual generation processes. The characterization of the concept of analytical redundancy in terms of a generalized parity space provides a framework in which a systematic approach to the determination of robust redundancy relations are developed. The Bayesian approach is adopted for the design of high performance decision processes. The FDI decision problem is formulated as a Bayes sequential decision problem. Since the optimal decision rule is incomputable, a methodology for designing suboptimal rules is proposed. A numerical algorithm is developed to facilitate the design and performance evaluation of suboptimal rules.

Chow, E. Y.↗

NASA NTRS2020

Data Processing for High-Contrast Imaging with the James Webb Space Telescope

The James Webb Space Telescope (JWST) will probe circumstellar environments at an unprecedented sensitivity.However, the performance of high-contrast imaging instruments is limited by the residual light from the star at close separations (<2-3”), where the incidence of exoplanets increases rapidly. There is currently no solution to get rid of the residual light down to the photon noise level at those separations, which may prevent some crucial discoveries. JWST’s debut is planned for October 2021 for a baseline mission lifetime of only five years. Thus,it is crucial to find a solution to this problem before its launch. We are further developing and implementing an innovative approach of post-processing built on a Bayesian framework that provides a more robust determination of faint astrophysical structures around a bright source. This approach uses a model of high-contrast imaging instrument that takes advantage of prior information, such as data from wavefront sensing (WFS) operations on JWST, to estimate simultaneously instrumental aberrations and the circumstellar environment. With this approach, our goal is to further improve the contrast gain over the contrast that can be achieved with JWST instruments, starting with NIRCam imaging and coronagraphic imaging. This work will pave the way for the future space-based high-contrast imaging instruments such as the Nancy Grace Roman Space Telescope Coronagraph Instrument (Roman CGI). This technique will be crucial to make the best use of the telemetry data that will be collected during the CGI operations.

Jewell, Jeffrey B.↗

DOE OSTI2016

BAYESIAN ESTIMATION OF THERMONUCLEAR REACTION RATES

The problem of estimating non-resonant astrophysical S -factors and thermonuclear reaction rates, based on measured nuclear cross sections, is of major interest for nuclear energy generation, neutrino physics, and element synthesis. Many different methods have been applied to this problem in the past, almost all of them based on traditional statistics. Bayesian methods, on the other hand, are now in widespread use in the physical sciences. In astronomy, for example, Bayesian statistics is applied to the observation of extrasolar planets, gravitational waves, and Type Ia supernovae. However, nuclear physics, in particular, has been slow to adopt Bayesian methods. We present astrophysical S -factors and reaction rates based on Bayesian statistics. We develop a framework that incorporates robust parameter estimation, systematic effects, and non-Gaussian uncertainties in a consistent manner. The method is applied to the reactions d(p, γ ){sup 3}He, {sup 3}He({sup 3}He,2p){sup 4}He, and {sup 3}He( α , γ ){sup 7}Be, important for deuterium burning, solar neutrinos, and Big Bang nucleosynthesis.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Model-Form Epistemic Uncertainty Quantification for Modeling with Differential Equations: Application to Epidemiology

Modeling real-world phenomena to any degree of accuracy is a challenge that the scientific research community has navigated since its foundation. Lack of information and limited computational and observational resources necessitate modeling assumptions which, when invalid, lead to model-form error (MFE). The work reported herein explored a novel method to represent model-form uncertainty (MFU) that combines Bayesian statistics with the emerging field of universal differential equations (UDEs). The fundamental principle behind UDEs is simple: use known equational forms that govern a dynamical system when you have them; then incorporate data-driven approaches – in this case neural networks (NNs) – embedded within the governing equations to learn the interacting terms that were underrepresented. Utilizing epidemiology as our motivating exemplar, this report will highlight the challenges of modeling novel infectious diseases while introducing ways to incorporate NN approximations to MFE. Prior to embarking on a Bayesian calibration, we first explored methods to augment the standard (non-Bayesian) UDE training procedure to account for uncertainty and increase robustness of training. In addition, it is often the case that uncertainty in observations is significant; this may be due to randomness or lack of precision in the measurement process. This uncertainty typically manifests as “noisy” observations which deviate from a true underlying signal. To account for such variability, the NN approximation to MFE is endowed with a probabilistic representation and is updated using available observational data in a Bayesian framework. By representing the MFU explicitly and deploying an embedded, data-driven model, this approach enables an agile, expressive, and interpretable method for representing MFU. In this report we will provide evidence that Bayesian UDEs show promise as a novel framework for any science-based, data-driven MFU representation; while emphasizing that significant advances must be made in the calibration of Bayesian NNs to ensure a robust calibration procedure.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Robust Spectral Unmixing of Sparse Multispectral Lidar Waveforms using Gamma Markov Random Fields

Here, this paper presents a new Bayesian spectral un-mixing algorithm to analyse remote scenes sensed via sparse multispectral Lidar measurements. To a first approximation, in the presence of a target, each Lidar waveform consists of a main peak, whose position depends on the target distance and whose amplitude depends on the wavelength of the laser source considered (i.e, on the target reflectivity). Besides, these temporal responses are usually assumed to be corrupted by Poisson noise in the low photon count regime. When considering multiple wavelengths, it becomes possible to use spectral information in order to identify and quantify the main materials in the scene, in addition to estimation of the Lidar-based range profiles. Due to its anomaly detection capability, the proposed hierarchical Bayesian model, coupled with an efficient Markov chain Monte Carlo algorithm, allows robust estimation of depth images together with abundance and outlier maps associated with the observed 3D scene. The proposed methodology is illustrated via experiments conducted with real multispectral Lidar data acquired in a controlled environment. The results demonstrate the possibility to unmix spectral responses constructed from extremely sparse photon counts (less than 10 photons per pixel and band).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

The dark matter halo masses of elliptical galaxies as a function of observationally robust quantities

Context. The assembly history of the stellar component of a massive elliptical galaxy is closely related to that of its dark matter halo. Measuring how the properties of galaxies correlate with their halo mass can therefore help to understand their evolution. Aims. We investigate how the dark matter halo mass of elliptical galaxies varies as a function of their properties, using weak gravitational lensing observations. To minimise the chances of biases, we focus on the following galaxy properties that can be determined robustly: the surface brightness profile and the colour. Methods. We selected 2409 central massive elliptical galaxies (log M*/M ⊙ ≳ 11.4) from the Sloan Digital Sky Survey spectroscopic sample. We first measured their surface brightness profile and colours by fitting Sérsic models to photometric data from the Kilo-Degree Survey (KiDS). We fitted their halo mass distribution as a function of redshift, rest-frame r-band luminosity, half-light radius, and rest-frame u - g colour, using KiDS weak lensing measurements and a Bayesian hierarchical approach. For the sake of robustness with respect to assumptions on the large-radii behaviour of the surface brightness, we repeated the analysis replacing the total luminosity and half-light radius with the luminosity within a 10 kpc aperture, L r, 10 , and the light-weighted surface brightness slope, Γ 10 . Results. We did not detect any correlation between the halo mass and either the half-light radius or colour at fixed redshift and luminosity. Using the robust surface brightness parameterisation, we found that the halo mass correlates weakly with L r,10 and anti-correlates with Γ 10 . At fixed redshift, L r, 10 and Γ 10 , the difference in the average halo mass between galaxies at the 84th percentile and 16th percentile of the colour distribution is 0.00 ± 0.11 dex. Conclusion. Our results indicate that the average star formation efficiency of massive elliptical galaxies has little dependence on their final size or colour. This suggests that the origin of the diversity in the size and colour distribution of these objects lies with properties other than the halo mass.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Bayesian State-Space Modeling Framework for Understanding and Predicting Golden Eagle Movements Using Telemetry Data

Predicting raptor movements through a wind power plant under given atmospheric and topographical conditions is a crucial first step in the overall goal of quantifying the risk of turbine-related collisions and mortalities. Extracting behavioral traits of golden eagles (Aquila chrysaetos) from telemetry data requires the fusion of noisy and sparse movement data (location, heading, velocity) with a stochastic mathematical representation of the eagles' decision-making processes. In this study, we framed this problem in a Bayesian state-space framework where both observations and decision-making are assumed to be stochastic processes connected through hidden states (mode of flight, intent), and the unknown model parameters are assumed to be random variables that are calibrated using the available telemetry data. This framework allowed for rigorous consideration of underlying uncertainties while allowing for both data and prior biological knowledge to contribute to a probabilistic and predictive agent-based movement model. We implemented and applied the Bayesian framework to understand movement behavior of 23 GPS-tagged golden eagles travelling in the western US for years 2019 and 2020. Our preliminary findings show that the Bayesian state-space framework provides a robust inverse modeling apparatus to decode eagle behavioral characteristics from telemetry data. This study was primarily aimed at verifying and validating the framework with selected golden eagle tracks (both long- and short-ranged), with future research aimed at extending the framework to include multi-mode flight, consideration of atmospheric data and uplift mechanisms, eagle-to-eagle interaction, and eagle-to-turbine interaction.

Bayesian modeling↗

DOE OSTI2025

Persistent Sampling: Enhancing the Efficiency of Sequential Monte Carlo

Sequential Monte Carlo (SMC) samplers are powerful tools for Bayesian inference but suffer from high computational costs due to their reliance on large particle ensembles for accurate estimates. We introduce persistent sampling (PS), an extension of SMC that systematically retains and reuses particles from all prior iterations to construct a growing, weighted ensemble. By leveraging multiple importance sampling and resampling from a mixture of historical distributions, PS mitigates the need for excessively large particle counts, directly addressing key limitations of SMC such as particle impoverishment and mode collapse. Crucially, PS achieves this without additional likelihood evaluations-weights for persistent particles are computed using cached likelihood values. This framework not only yields more accurate posterior approximations but also produces marginal likelihood estimates with significantly lower variance, enhancing reliability in model comparison. Furthermore, the persistent ensemble enables efficient adaptation of transition kernels by leveraging a larger, decorrelated particle pool. Experiments on high-dimensional Gaussian mixtures, hierarchical models, and non-convex targets demonstrate that PS consistently outperforms standard SMC and related variants, including recycled and waste-free SMC, achieving substantial reductions in mean squared error for posterior expectations and evidence estimates, all at reduced computational cost. PS thus establishes itself as a robust, scalable, and efficient alternative for complex Bayesian inference tasks.

Karamanis, Minas↗

DOE OSTI2020

Interpreting High-resolution Spectroscopy of Exoplanets using Cross-correlations and Supervised Machine Learning

We present a new method for performing atmospheric retrieval on ground-based, high-resolution data of exoplanets. Our method combines cross-correlation functions with a random forest, a supervised machine-learning technique, to overcome challenges associated with high-resolution data. A series of cross-correlation functions are concatenated to give a “CCF-sequence” for each model atmosphere, which reduces the dimensionality by a factor of ∼100. The random forest, trained on our grid of ∼65,000 models, provides a likelihood-free method of retrieval. The precomputed grid spans 31 values of both temperature and metallicity, and incorporates a realistic noise model. We apply our method to HARPS-N observations of the ultra-hot Jupiter KELT-9b and obtain a metallicity consistent with solar (logM = − 0.2 ± 0.2). Our retrieved transit chord temperature (T=6000{sub −200}{sup +0}K) is unreliable as strong ion lines lie outside of the extent of the training set, which we interpret as being indicative of missing physics in our atmospheric model. We compare our method to traditional nested sampling, as well as other machine-learning techniques, such as Bayesian neural networks. We demonstrate that the likelihood-free aspect of the random forest makes it more robust than nested sampling to different error distributions, and that the Bayesian neural network we tested is unable to reproduce complex posteriors. We also address the claim in Cobb et al. 2019 that our random forest retrieval technique can be overconfident but incorrect. We show that this is an artifact of the training set, rather than of the machine-learning method, and that the posteriors agree with those obtained using nested sampling.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

SPEQTACLE: An automated generalized fuzzy C-means algorithm for tumor delineation in PET

Purpose: Accurate tumor delineation in positron emission tomography (PET) images is crucial in oncology. Although recent methods achieved good results, there is still room for improvement regarding tumors with complex shapes, low signal-to-noise ratio, and high levels of uptake heterogeneity. Methods: The authors developed and evaluated an original clustering-based method called spatial positron emission quantification of tumor—Automatic Lp-norm estimation (SPEQTACLE), based on the fuzzy C-means (FCM) algorithm with a generalization exploiting a Hilbertian norm to more accurately account for the fuzzy and non-Gaussian distributions of PET images. An automatic and reproducible estimation scheme of the norm on an image-by-image basis was developed. Robustness was assessed by studying the consistency of results obtained on multiple acquisitions of the NEMA phantom on three different scanners with varying acquisition parameters. Accuracy was evaluated using classification errors (CEs) on simulated and clinical images. SPEQTACLE was compared to another FCM implementation, fuzzy local information C-means (FLICM) and fuzzy locally adaptive Bayesian (FLAB). Results: SPEQTACLE demonstrated a level of robustness similar to FLAB (variability of 14% ± 9% vs 14% ± 7%, p = 0.15) and higher than FLICM (45% ± 18%, p < 0.0001), and improved accuracy with lower CE (14% ± 11%) over both FLICM (29% ± 29%) and FLAB (22% ± 20%) on simulated images. Improvement was significant for the more challenging cases with CE of 17% ± 11% for SPEQTACLE vs 28% ± 22% for FLAB (p = 0.009) and 40% ± 35% for FLICM (p < 0.0001). For the clinical cases, SPEQTACLE outperformed FLAB and FLICM (15% ± 6% vs 37% ± 14% and 30% ± 17%, p < 0.004). Conclusions: SPEQTACLE benefitted from the fully automatic estimation of the norm on a case-by-case basis. This promising approach will be extended to multimodal images and multiclass estimation in future developments.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

Quantum-Inspired Bayesian Sampling for Uncertainty Quantification and Machine Learning (Final Technical Report)

With increasing simulation and measurement data, machine learning and artificial intelligence have been widely used in computational decision-making of complex engineering systems. The resulting tools, such as uncertainty quantification solvers, reinforcement learning, and physics-informed machine learning, have achieved great success in critical DOE tasks such as material discovery and design, energy system modeling and control, and numerical weather and climate prediction. A core topic in scientific machine learning and artificial intelligence is Bayesian inference: given an observed data set, people want to estimate the posterior distribution of a (possibly large) number of hidden parameters. Due to the flexibility and weak assumptions, Bayesian sampling has been the mainstream Bayesian inference solvers despite the rapid progress of approximate Bayesian inference. Classical Bayesian sampling methods such as Markov-chain Monte Carlo suffer from a low-acceptance rate due to the random walk nature, therefore state-of-the-art techniques use Hamiltonian Monte Carlo and its variants to efficiently draw posterior samples in a high dimension. The key idea of Hamiltonian Monte Carlo and its variants is to simulate the Hamiltonian dynamics of a classical particle with a fixed mass, and their performance significantly degrades when the posterior distribution is highly spiky or has multiple modes. Leveraging the idea of quantum physics, this project has investigated new theory, algorithms and applications of Bayesian inference (especially Bayesian sampling). The main results include: (1) novel quantum-inspired Bayesian sampling methods that can lead to better accuracy for challenging multi-modal or spiky distributions, (2) more scalable machine learning framework leveraging tensor-compressed Bayesian inference, and (3) Bayesian and sampling approaches for verifying the robustness of continuous and binary neural networks.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

A Robust Estimate of Continental-Scale Terrestrial Carbon Sinks Using GOSAT XCO 2 Retrievals

Satellite XCO 2 retrievals could improve the estimates of surface carbon fluxes, but it remains unknown on what scales these estimates are robust. Here, we use the time-dependent Bayesian synthesis top-down method and prior net ecosystem exchanges (NEEs) from 12 terrestrial biosphere models (TBMs) to infer the monthly carbon fluxes of 51 land regions with constraints by GOSAT XCO 2 retrievals. We find that the uncertainty (standard deviation of 12 TBMs) reduction rates (uncertainty reduction rate (URR)) decrease significantly at decreasing spatial scales. On the continental-scale, the mean URR is about 57%, and the annual and seasonal cycle estimates of NEE are rather robust. The evaluation shows that the posterior CO 2 concentrations are significantly improved at the continental scale. Our study suggests that the GOSAT XCO 2 can only promise a robust continental-scale NEE estimate and improving the XCO 2 accuracy is an effective way to achieve robust estimates on smaller scales under current spatial coverage.

58 GEOSCIENCES↗

DOE OSTI2019

Modeling the Formation of the Family of the Dwarf Planet Haumea

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.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Artificial Intelligence Thermostat to Detect Faults

Residential air conditioners and heat pumps often experience faults due to inadequate maintenance, which can severely reduce efficiency or even cause system failure. Common issues include dirty or clogged air filters and refrigerant leaks. These problems degrade performance and increase energy use and operating costs. This study presents a smart thermostat with embedded artificial intelligence to detect such faults and alert homeowners when maintenance is needed. The thermostat uses low-cost measurements—including return-air temperature, relative humidity, supply-air temperature, outdoor-air temperature, and condenser subcooling—to identify abnormal operations. Because different faults produce distinct response patterns, tailored algorithms are developed to recognize characteristic fault signatures. The investigation is built on a detailed co-simulation platform that couples EnergyPlus with the DOE/ORNL Heat Pump Design Model (HPDM). EnergyPlus represents the building’s dynamic environment, while HPDM is a high-fidelity, hardware-based model that can simulate fault-free performance as well as a wide range of faults, including gradual degradation such as minor refrigerant leakage. This platform provides a virtual training and testing environment that helps distinguish fault-induced behavior from normal operation and supports development of robust diagnostic algorithms. Using this framework, a Dynamic Bayesian Network was developed to identify two common faults—gradual refrigerant charge loss and indoor airflow blockage—and the AI-embedded thermostat was verified through annual building simulations.

Shen, Bo [ORNL] (ORCID:0000000336600393)↗

NASA NTRS2016

Uncertainty Estimates of Psychoacoustic Thresholds Obtained from Group Tests

Adaptive psychoacoustic test methods, in which the next signal level depends on the response to the previous signal, are the most efficient for determining psychoacoustic thresholds of individual subjects. In many tests conducted in the NASA psychoacoustic labs, the goal is to determine thresholds representative of the general population. To do this economically, non-adaptive testing methods are used in which three or four subjects are tested at the same time with predetermined signal levels. This approach requires us to identify techniques for assessing the uncertainty in resulting group-average psychoacoustic thresholds. In this presentation we examine the Delta Method of frequentist statistics, the Generalized Linear Model (GLM), the Nonparametric Bootstrap, a frequentist method, and Markov Chain Monte Carlo Posterior Estimation and a Bayesian approach. Each technique is exercised on a manufactured, theoretical dataset and then on datasets from two psychoacoustics facilities at NASA. The Delta Method is the simplest to implement and accurate for the cases studied. The GLM is found to be the least robust, and the Bootstrap takes the longest to calculate. The Bayesian Posterior Estimate is the most versatile technique examined because it allows the inclusion of prior information.

Rathsam, Jonathan↗

NASA NTRSDate not supplied

A Gaussian Process Enhancement to Linear Parameter Varying Models

Simulation and analysis for modern engineering systems now routinely requires the merging of multiple disciplines, physical-domains, time-scales, and data sets — all at ever increasing levels. These capabilities are especially needed in the domain of Advanced Air Mobility, where rapidly emerging vehicle designs are significantly more complex, while having to be both cost-effective and safe. To meet these engineering challenges, machine learning methods are an attractive option for merging models and data across multiple areas while providing uncertainty quantification and maintaining computational efficiency. This paper examines the use of Gaussian process machine learning to generalize and enhance the commonly used class of quasi-Linear Parameter Varying models for fast full-envelope simulation while also supporting control system design and analysis with model uncertainty. Gaussian process machine learning is selected because it: can fuse multiple data sets, enables an easy trade-off between data fitting and smoothing, provides model uncertainty quantification, scales well with increasing complexity, and does not generally require starting from a large training data set. To demonstrate the benefits of the approach, a robust stability analysis with Gaussian process uncertainty is shown for a NASA reference design of an electric quad-rotor air-taxi concept vehicle with motor parameter uncertainty.

Gaussian Process↗

DOE OSTI2022

BayesMT: A Probabilistic Bayesian Framework for the Seismic Moment Tensor

Moment tensors (MTs) have long been used in earthquake and explosion source analysis, and there has been a renewed interest in how they can inform us about the seismic source, particularly in the geophysical monitoring community due to its application in event identification and yield analysis. However, parameter uncertainties in seismic MT inversion are rarely available. The inverse procedure often does not quantify MT model errors such as event location, data noise and Earth model that are essential for estimating solution robustness. To address this need, we propose to adopt the Bayesian probabilistic framework to incorporate uncertainties in MT inversions. In this study, we present the theoretical background of a probabilistic Bayesian framework for MT inversion accounting for model and measurements errors and illustrate the implementation of the method using a synthetic example.

58 GEOSCIENCES↗