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DOE OSTI2025

HAMscope: a snapshot Hyperspectral Autofluorescence Miniscope for real-time molecular imaging

We introduce HAMscope, a compact, snapshot hyperspectral autofluorescence miniscope that enables real-time, label-free molecular imaging in a wide range of biological systems. By integrating a thin polymer diffuser into a widefield miniscope, HAMscope spectrally encodes each frame and employs a probabilistic deep learning framework to reconstruct 30-channel hyperspectral stacks (452-703 nm) or directly infer molecular composition maps from single images. A scalable multi-pass U-Net architecture with transformer-based attention and per pixel uncertainty estimation enables high spatio-spectral fidelity (mean absolute error ∼0.0048) at video rates. While initially demonstrated in plant systems, including lignin, chlorophyll, and suberin imaging in intact poplar and cork tissues, the platform is readily adaptable to other applications such as neural activity mapping, metabolic profiling, and histopathology. We show that the system generalizes to out-of-distribution tissue types and supports direct molecular mapping without the need for spectral unmixing. HAMscope establishes a general framework for compact, uncertainty-aware spectral imaging that combines minimal optics with advanced deep learning, offering broad utility for real-time biochemical imaging across neuroscience, environmental monitoring, and biomedicine.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Evolving Metrics for Resource Adequacy Assessment

Resource adequacy analysis quantifies the likelihood of capacity shortfall on a power system in a probabilistic manner. Using a combination of statistical techniques and power system fundamentals, the analysis typically evaluates hundreds or thousands of stochastic random samples (replications) of varying load, generator outages, variable renewable energy availability, and other aspects of power system uncertainty. In this range of uncertainty, there are - at times - periods where the power system's available resources are insufficient to meet system demand, referred to as a shortfall event. Today's power systems' rapidly evolving generation mix is changing the types of data needed by system planners and regulators, which can often render traditional resource adequacy metrics insufficient for ensuring resource adequacy for tomorrow's grid. In this paper we provide a critical assessment of traditional measures of shortfall risk in power systems, discussing their shortcomings and how they compare to metrics used in other domains. From this analysis we propose four steps forward for improving power system resource adequacy risk metrics in the future.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗

NASA NTRS2015

Dynamic Simulation Probabalistic Risk Assessment Model for an Enceladus Sample Return Mission

Enceladus, a moon of Saturn, has geyser-like jets that spray plumes of material into orbit. These jets could enable a free-flying spacecraft to collect samples and return them to Earth for study to determine if they contain the building blocks of life. The Office of Planetary Protection at NASA requires containment of any unsterilized samples and prohibits destructive impact of the spacecraft upon return to Earth, with a sample release probability of less than 1 in 1,000,000 as a recommended goal. This paper describes a probabilistic risk assessment model that uses dynamic simulation techniques to capture the physics-based, time- and state-dependent interactions between the sample return system and the environment, which drive the risk of sample release. The dynamic approach uses a Monte Carlo-style simulation to integrate the many phases and sources of risk for a sample return mission. The model is used to assess the achievability of the planetary protection reliability goal. This is accomplished by performing sensitivity studies assessing the impact of modeling assumptions to identify where uncertainties drive the risk. These results, in turn, are used to examine the feasibility of meeting key design and performance parameters that are needed to achieve the reliability goal for a given architecture with existing technologies.

Dynamic Simulation↗

NASA NTRS2010

Applying Monte Carlo Simulation to Launch Vehicle Design and Requirements Verification

This paper is focused on applying Monte Carlo simulation to probabilistic launch vehicle design and requirements verification. The approaches developed in this paper can be applied to other complex design efforts as well. Typically the verification must show that requirement "x" is met for at least "y" % of cases, with, say, 10% consumer risk or 90% confidence. Two particular aspects of making these runs for requirements verification will be explored in this paper. First, there are several types of uncertainties that should be handled in different ways, depending on when they become known (or not). The paper describes how to handle different types of uncertainties and how to develop vehicle models that can be used to examine their characteristics. This includes items that are not known exactly during the design phase but that will be known for each assembled vehicle (can be used to determine the payload capability and overall behavior of that vehicle), other items that become known before or on flight day (can be used for flight day trajectory design and go/no go decision), and items that remain unknown on flight day. Second, this paper explains a method (order statistics) for determining whether certain probabilistic requirements are met or not and enables the user to determine how many Monte Carlo samples are required. Order statistics is not new, but may not be known in general to the GN&C community. The methods also apply to determining the design values of parameters of interest in driving the vehicle design. The paper briefly discusses when it is desirable to fit a distribution to the experimental Monte Carlo results rather than using order statistics.

Hanson, John M.↗

DOE OSTI2022

Learning Stochastic Parametric Differentiable Predictive Control Policies

We present a scalable unsupervised learning-based method for obtaining explicit control policies for model predictive control problems for stochastic linear systems with additive uncertainties subject to nonlinear chance constraints. We call the proposed method stochastic parametric differentiable predictive control (SP-DPC), which extends the recently proposed deterministic DPC policy optimization algorithm. We formulate the SP-DPC as a deterministic approximation to the stochastic parametric constrained optimal control problem via independent sampling of the problem's parameters and uncertainties. This formulation allows us to directly compute the policy gradients via automatic differentiation of the problem's value function, evaluated over sampled parameters and uncertainties. In particular, the computed expectation of the problem's value function is backpropagated through the finite-time closed-loop system rollouts parametrized by a known nominal system dynamics model and neural control policy. We also provide theoretical probabilistic guarantees on closed-loop stability and chance constraints satisfaction for systems controlled by learned neural policies. We demonstrate the computational efficiency and scalability of the proposed policy optimization algorithm in three numerical examples, including systems with a large number of states or subject to nonlinear constraints.

Drgona, Jan↗

NASA NTRSDate not supplied

Accounting for Point Estimate Uncertainty in Space Systems Reliability and Risk Analysis

Understanding and accounting for uncertainty in risk analysis is a critical step in the management and communication of risk in engineered systems. The component and system-level analysis to determine the probability of a negative outcome and its consequence is often quantified by a point estimate. Many Program and Enterprise decisions involving technical concerns and issues rely on reliability engineering activities to produce quantified risk analysis to inform the decision making process. At NASA, it is common to use a Probabilistic Risk Analysis (PRA) to inform the overall risk to Loss of Mission or Loss of Crew that involves integration across all spacecraft subsystem fault trees to produce an overall probability of mission failure. The point estimate is an estimate of this overall probability and is an immediate result of a fault tree model. It is the result of a model where the probability of each event is taken to be equal to its mean. The value provides an approximation of the overall mean without running any uncertainty calculations (e.g., no sampling). Using only the point estimate can lead to a false sense of precision and the point estimate may not match the resulting mean when uncertainty is taken into consideration. This paper will explore five conditions that can cause the PRA model mean to diverge from the point estimate and will provide engineers and managers insight into the importance of understanding uncertainty in the elements of PRA models.

Paul J Collier↗

DOE OSTI2023

Stochastic modeling and statistical calibration with model error and scarce data

This paper introduces a procedure to assess the predictive accuracy of stochastic models subject to model error and sparse data. Model error is introduced as uncertainty on the coefficients of appropriate polynomial chaos expansions (PCE). The error associated with finite sample size allows us to conceive of these coefficients as statistics of the data that we describe as random variables whose influence on output quantities of interest is evaluated through the extended polynomial chaos expansion (EPCE). A Bayesian data assimilation scheme is introduced to update these expansions by considering the resulting nested chaos expansion as a hierarchical probabilistic model. Stochastic models of quantities of interest (QoI) are thus constructed and efficiently evaluated. Here, the Metropolis–Hastings Markov chain Monte Carlo procedure is used to sample the posterior. Two illustrative analytical and numerical problems are used to demonstrate the proposed approach.

Bayesian inference↗

DOE OSTI2024

Probabilistic projections of the Amery Ice Shelf catchment, Antarctica, under conditions of high ice-shelf basal melt

Abstract. Antarctica's Lambert Glacier drains about one-sixth of the ice from the East Antarctic Ice Sheet and is considered stable due to the strong buttressing provided by the Amery Ice Shelf. While previous projections of the sea-level contribution from this sector of the ice sheet have predicted significant mass loss only with near-complete removal of the ice shelf, the ocean warming necessary for this was deemed unlikely. Recent climate projections through 2300 indicate that sufficient ocean warming is a distinct possibility after 2100. This work explores the impact of parametric uncertainty on projections of the response of the Lambert–Amery system (hereafter “the Amery sector”) to abrupt ocean warming through Bayesian calibration of a perturbed-parameter ice-sheet model ensemble. We address the computational cost of uncertainty quantification for ice-sheet model projections via statistical emulation, which employs surrogate models for fast and inexpensive parameter space exploration while retaining critical features of the high-fidelity simulations. To this end, we build Gaussian process (GP) emulators from simulations of the Amery sector at a medium resolution (4–20 km mesh) using the Model for Prediction Across Scales (MPAS)-Albany Land Ice (MALI) model. We consider six input parameters that control basal friction, ice stiffness, calving, and ice-shelf basal melting. From these, we generate 200 perturbed input parameter initializations using space filling Sobol sampling. For our end-to-end probabilistic modeling workflow, we first train emulators on the simulation ensemble and then calibrate the input parameters using observations of the mass balance, grounding line movement, and calving front movement with priors assigned via expert knowledge. Next, we use MALI to project a subset of simulations to 2300 using ocean and atmosphere forcings from a climate model for both low- and high-greenhouse-gas-emission scenarios. From these simulation outputs, we build multivariate emulators by combining GP regression with principal component dimension reduction to emulate multivariate sea-level contribution time series data from the MALI simulations. We then use these emulators to propagate uncertainty from model input parameters to predictions of glacier mass loss through 2300, demonstrating that the calibrated posterior distributions have both greater mass loss and reduced variance compared to the uncalibrated prior distributions. Parametric uncertainty is large enough through about 2130 that the two projections under different emission scenarios are indistinguishable from one another. However, after rapid ocean warming in the first half of the 22nd century, the projections become statistically distinct within decades. Overall, this study demonstrates an efficient Bayesian calibration and uncertainty propagation workflow for ice-sheet model projections and identifies the potential for large sea-level rise contributions from the Amery sector of the Antarctic Ice Sheet after 2100 under high-greenhouse-gas-emission scenarios.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Estimating building occupancy: a machine learning system for day, night, and episodic events

Building occupancy research increasingly emphasizes understanding the social and physical dynamics of how people occupy space. Opportunities in the open source domain including social media, Volunteered Geographic Information, crowdsourcing, and sensor data have proliferated, resulting in the exploration of building occupancy dynamics at varying spatiotemporal scales. At Oak Ridge National Laboratory, research into building occupancies through the development of a global learning framework that accommodates exploitation of open source authoritative sources, including governmental census and surveys, journal articles, real estate databases, and more, to report national and subnational building occupancies across the world continues through the Population Density Tables (PDT) project. This probabilistic learning system accommodates expert knowledge, experience, and open-source data to capture local, socioeconomic, and cultural information about human activity. It does so through a systematic process of data harmonization techniques in the development of observation models for over 50 building types to dynamically update baseline estimates and report probabilistic diurnal and episodic building occupancy estimates. This discussion will explore how PDT is implemented at scale and expanded based on the development of observation model classes and will explain how to interpret and spatially apply the reported probability occupancy estimates and uncertainty.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

GDSA Framework Development and Process Model Integration FY2022

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is disposal system modeling (Sassani et al. 2021). The SFWST Geologic Disposal Safety Assessment (GDSA) work package is charged with developing a disposal system modeling and analysis capability for evaluating generic disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2022 advances of the Geologic Disposal Safety Assessment (GDSA) performance assessment (PA) development groups of the SFWST Campaign. The common mission of these groups is to develop a geologic disposal system modeling capability for nuclear waste that can be used to assess probabilistically the performance of generic disposal options and generic sites. The modeling capability under development is called GDSA Framework (pa.sandia.gov). GDSA Framework is a coordinated set of codes and databases designed for probabilistically simulating the release and transport of disposed radionuclides from a repository to the biosphere for post-closure performance assessment. Primary components of GDSA Framework include PFLOTRAN to simulate the major features, events, and processes (FEPs) over time, Dakota to propagate uncertainty and analyze sensitivities, meshing codes to define the domain, and various other software for rendering properties, processing data, and visualizing results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Bayesian averaging for ground state masses of atomic nuclei in a Machine Learning approach

We present global predictions of the ground state mass of atomic nuclei based on a novel Machine Learning algorithm. We combine precision nuclear experimental measurements together with theoretical predictions of unmeasured nuclei. This hybrid data set is used to train a probabilistic neural network. In addition to training on this data, a physics-based loss function is employed to help refine the solutions. The resultant Bayesian averaged predictions have excellent performance compared to the testing set and come with well-quantified uncertainties which are critical for contemporary scientific applications. We assess extrapolations of the model’s predictions and estimate the growth of uncertainties in the region far from measurements.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS2010

JSC Safety and Mission Assurance Data Analysis Overview

These slides describe the data analysis methods that are used to determine inputs for probabilistic risk models supporting the Space Shuttle Program. Other applications can follow a similar path probably using different data sources. Statistical approaches are different and not addressed here. Topics included here: 1) Prior Distribution; 2) Likelihood Data; 3) Bayesian Updating; and 4) Uncertainty and Error. Note: This is a high-level discussion and is not intended to be a tutorial.

Roelant, Henk↗

NASA NTRS2023

Efficient Calibration of Expensive Computational Models

Accounting for uncertainty when calibrating expensive computational models is a common challenge faced by scientists and engineers. Often Bayesian techniques are adopted to estimate a probability density function over the model parameters given noisy empirical data. The methods used to perform this type of probabilistic calibration are computationally prohibitive in that they require a large number of evaluations of the expensive model. In these cases, surrogate modeling -- that is, using a fast-to-evaluate, lower fidelity stand-in for the original computational model -- may be the only option to alleviate this computational burden. However, the upfront cost of generating training data to build a surrogate model can itself be expensive. As such, it is important to be judicious when selecting training points at which the full-fidelity model is evaluated. Here, an active learning approach is proposed that enables efficient selection of training points using approximate samples of the calibrated parameter probability density function. In this way, the training points can be concentrated in regions where the calibration algorithm requires high model accuracy.

active learning↗

DOE OSTI2025

Improving the Quasi‐Biennial Oscillation via a Surrogate‐Accelerated Multi‐Objective Optimization

Accurate simulation of the quasi-biennial oscillation (QBO) is challenging due to uncertainties in representing convectively generated gravity waves. We develop an end-to-end uncertainty quantification workflow that calibrates these gravity wave processes in E3SM for a realistic QBO. Central to our approach is a domain knowledge-informed, compressed representation of high-dimensional spatio-temporal wind fields. By employing a parsimonious statistical model that learns the fundamental frequency from complex observations, we extract interpretable and physically meaningful quantities capturing key attributes. Building on this, we train a probabilistic surrogate model that approximates the fundamental characteristics of the QBO as functions of critical physics parameters governing gravity wave generation. Leveraging the Karhunen–Loève decomposition, our surrogate efficiently represents these characteristics as a set of orthogonal features, capturing cross-correlations among multiple physics quantities evaluated at different pressure levels and enabling rapid surrogate-based inference at a fraction of the computational cost of full-scale simulations. Finally, we analyze the inverse problem using a multi-objective approach. Our study reveals a tension between amplitude and period that constrains the QBO representation, precluding a single optimal solution. To navigate this, we quantify the bi-criteria trade-off and generate a set of Pareto optimal parameter values that balance the conflicting objectives. This integrated workflow improves the fidelity of QBO simulations and offers a versatile template for uncertainty quantification in complex geophysical models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Accelerated basis adaptation in homogeneous chaos spaces

Polynomial chaos expansions (PCE) provide an efficient approach to uncertainty quantification (UQ) and have been adapted to diverse applications across the spectrum of science and engineering. For situations involving large stochastic parameterizations, the curse of dimensionality renders PCE-based methods computationally prohibitive. A basis adaptation approach for PCE was proposed by Tipireddy and Ghanem (2014) which transforms the input random variables through an isometry such that sufficient probabilistic characterization of specific quantities of interest (QoI) is concentrated in an algebraic manifold embedded in the linear span of the dominant transformed variables. While quite versatile, that original version of the PCE basis adaptation exhibited slow convergence for a number of problems of practical significance. In the present paper, we propose two novel methods to accelerate the convergence of the original basis adaptation approach, thus expanding its reach while also providing insight into its performance. In the first method, information gained from a pilot PCE representation is used to correct the mean and Gaussian coefficients in the adapted space. By taking advantages of probabilistic information in higher dimensional adaptation gleaned from an initial adaptation, the second method updates the rotation matrix used to identify the dominant transformed variables. In this manner, the new rotation matrix concentrates even more probabilistic information in its first few dimensions. These two method can be combined to achieve even better performance, the combined method is referred to as sequentially optimized adaptation method. Here, the methods are demonstrated on an analytical test function and a model of a space structure with several sub-components and a non-smooth quantity of interest representing the maximum acceleration over time. Both methods achieve accelerated convergence of the basis adaptation approach with negligible additional costs.

Accelerated convergence↗

DOE OSTI2024

Data-driven projection pursuit adaptation of polynomial chaos expansions for dependent high-dimensional parameters

Uncertainty quantification (UQ) and inference involving a large number of parameters are valuable tools for problems associated with heterogeneous and non-stationary behaviors. The difficulty with these problems is exacerbated when these parameters are statistically dependent requiring statistical characterization over joint measures. Probabilistic modeling methodologies stand as effective tools in the realms of UQ and inference. Among these, polynomial chaos expansions (PCE), when adapted to low-dimensional quantities of interest (QoI), provide effective yet accurate approximations for these QoI in terms of an adapted orthogonal basis. These adaptation techniques have been cast as projection pursuits in Gaussian Hilbert space in what has been referred to as a projection pursuit adaptation (PPA) by Xiaoshu Zeng and Roger Ghanem (2023). The PPA method efficiently identifies an optimal low-dimensional space for representing the QoI and simultaneously evaluates an optimal PCE within that space. The quality of this approximation clearly depends on the size of the training dataset, which is typically a function of the adapted reduced dimension. Here, the complexity of the problem is thus mediated by the complexity of the low-dimensional quantity of interest and not the complexity of the high-dimensional parameter space.

Data-driven↗

DOE OSTI2021

Efficient Sampling of Complex Interdependent and Multiplex Networks

Efficient sampling of interdependent and multiplex infrastructure networks is critical for effectively applying failure and recovery algorithms in real-world settings, as well as to generate property-preserving reduced-order graph-based ensembles that address topological uncertainties. In this paper, we first explore the performance, i.e. the success in preserving graph properties, of graph sampling algorithms for interdependent and multiplex networks with synthetic and real-world graphs. We simulate sampling algorithms under different parameter settings. These settings include probabilistic graph generators, coupling patterns, and various performance metrics. Our results show that while Random Node and Random Walk sampling algorithms perform best for interdependent networks, Random Edge and Forest Fire sampling algorithms perform best for multiplex networks. Second, we propose and implement a novel similarity-based sampling algorithm for multiplex networks that samples only log(N) number of layers of an N-layer multiplex network while yielding computational savings with performance guarantees. Experimental results show that similarity sampling outperforms complete sampling of all layers while decreasing performance costs from a linear scale to a logarithmic one. Our results also indicate that similarity-based sampling outperforms complete sampling and random selection in nearly all scenarios when tested with real-world data.

Subasi, Omer↗

NASA NTRSDate not supplied

Assessment of Crew Time for Maintenance and Repair Activities for Lunar Surface Missions

NASA is currently evaluating different methods to predict how much time crewmembers will spend conducting repair and maintenance activities on future space missions. As mission scope and spacecraft architectures change, understanding how crew repair and maintenance timelines are impacted by mission operations and technology changes is vital for future mission planning. Past work has been done using historical International Space Station (ISS) data to accurately predict crew habitation and operation timelines, resulting in the development of NASA’s Exploration Crew Time Model (ECTM). However, understanding crew maintenance and repair requirements has posed a unique challenge due to the complexity of available datasets, the probabilistic nature of sub-system failures, and the impacts of reliability growth on failure rates. This paper presents a methodology to collect and condition empirical repair and maintenance time data from available datasets, to extrapolate from that data to estimate projected maintenance and repair times for a lunar Surface Habitat (SH), and to assess how uncertainty in repair time could impact utilization time on the lunar surface. NASA ISS maintenance and crew time data are logged into two central databases: the Maintenance Data Collection (MDC) and the Operations Planning Timeline Integration System (OPTimIS). Separately, each of these two datasets capture only portions of the complete set of data required to generate an accurate assessment of crew time spent on maintenance activities at a sub-system level. To create a more useful crew time estimate for maintenance timelines, the authors developed a methodology to capture relevant data from each set and combine and utilize that data by linking crew time requirements to specific components. The authors compare the failure logs in the MDC to crew activity logs pulled from OPTimIS and then process the data to estimate required repair time for each failure and repair event. The entire maintenance activity dataset is then categorized based on the class of failed component to ensure a significant sample size for each class and accurate crew time estimates for any components lacking relevant data. This resultant component repair time data can be used in the future to generate Mean Time to Repair (MTTR) estimates and confidence intervals for each class of component based on a probabilistic distribution of documented maintenance events. These improved MTTR values can then be applied to candidate element sub-system architectures, along with component Mean Time Between Failure (MTBF) data to generate distributions for potential required system crew repair time estimates for a given mission. The authors applied these modeling methods to a case study of a crewed mission to the planned SH and produced expected corrective maintenance crew time distributions. The results produced an expected corrective maintenance crew time at over 24 hours per mission, and a maintenance crew time distribution that reflects the importance of planning for sufficient maintenance requirements each mission. Repair time distributions can then be used to develop more accurate crew schedules and to assess potential available utilization time.

Crew Time↗