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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

An Optimization-Based Framework to Define the Probabilistic Design Space of Pharmaceutical Processes with Model Uncertainty

To increase manufacturing flexibility and system understanding in pharmaceutical development, the FDA launched the quality by design (QbD) initiative. Within QbD, the design space is the multidimensional region (of the input variables and process parameters) where product quality is assured. Given the high cost of extensive experimentation, there is a need for computational methods to estimate the probabilistic design space that considers interactions between critical process parameters and critical quality attributes, as well as model uncertainty. In this paper we propose two algorithms that extend the flexibility test and flexibility index formulations to replace simulation-based analysis and identify the probabilistic design space more efficiently. The effectiveness and computational efficiency of these approaches is shown on a small example and an industrial case study.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

A Probabilistic Approach to Fitting Period–luminosity Relations and Validating Gaia Parallaxes

Pulsating stars, such as Cepheids, Miras, and RR Lyrae stars, are important distance indicators and calibrators of the “cosmic distance ladder,” and yet their period–luminosity–metallicity (PLZ) relations are still constrained using simple statistical methods that cannot take full advantage of available data. To enable optimal usage of data provided by the Gaia mission, we present a probabilistic approach that simultaneously constrains parameters of PLZ relations and uncertainties in Gaia parallax measurements. We demonstrate this approach by constraining PLZ relations of type ab RR Lyrae stars in near-infrared W 1 and W 2 bands, using Tycho- Gaia Astrometric Solution (TGAS) parallax measurements for a sample of ≈100 type ab RR Lyrae stars located within 2.5 kpc of the Sun. The fitted PLZ relations are consistent with previous studies, and in combination with other data, deliver distances precise to 6% (once various sources of uncertainty are taken into account). To a precision of 0.05 mas (1 σ ), we do not find a statistically significant offset in TGAS parallaxes for this sample of distant RR Lyrae stars (median parallax of 0.8 mas and distance of 1.4 kpc). With only minor modifications, our probabilistic approach can be used to constrain PLZ relations of other pulsating stars, and we intend to apply it to Cepheid and Mira stars in the near future.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2005

Probabilistic Risk Assessment for Concurrent, Conceptual Design of Space Missions

NASA is expanding its capability to perform PRA. This capability gives insight into the links of a suggested design and drives the refinement of the design by identifying optimal areas for investments. Clearly, it is more viable and less expensive to refine a design at the time that it is being conceived. Hence the utility of conducting PRA at the conceptual design phase. Concurrent engineering teams greatly reduce the design time and costs. However, there is currently no standardized means for building probabilistic risk models to assess risks associated with a design produced by such teams. The capability to produce a consistent and valid risk metric associated with such designs would greatly enhance the value of such design teams. This paper explains the experimental results obtained to date from building probabilistic risk models for sample studies conducted at the concurrent engineering design team at the Jet Propulsion Laboratory (TeamX).

conceptual designs↗
NASA NTRS2014

Exact and Approximate Probabilistic Symbolic Execution

Probabilistic software analysis seeks to quantify the likelihood of reaching a target event under uncertain environments. Recent approaches compute probabilities of execution paths using symbolic execution, but do not support nondeterminism. Nondeterminism arises naturally when no suitable probabilistic model can capture a program behavior, e.g., for multithreading or distributed systems. In this work, we propose a technique, based on symbolic execution, to synthesize schedulers that resolve nondeterminism to maximize the probability of reaching a target event. To scale to large systems, we also introduce approximate algorithms to search for good schedulers, speeding up established random sampling and reinforcement learning results through the quantification of path probabilities based on symbolic execution. We implemented the techniques in Symbolic PathFinder and evaluated them on nondeterministic Java programs. We show that our algorithms significantly improve upon a state-of- the-art statistical model checking algorithm, originally developed for Markov Decision Processes.

Symbolic Execution↗
NASA NTRS2019

TURBOMAT: A Probabilistic Turbomachinery Aeroelastic Analysis Tool

An integration of aeroelastic analysis procedures with probabilistic analysis methods enables us to design safe reliable engines with quantified reliability. Towards this goal, a graphical user interface (GUI) based tool that integrates the codes Aeroelastic analysis of propfans (ASTROP2) and Numerical Evaluation of Stochastic Structures Under Stress (NESSUS) is developed. The tool entitled TURBOMachinery Aeroelastic Analysis Tool (TURBOMAT), is developed utilizing the MATrix Laboratory (Matlab) Guide (Graphical User Interface Development) tool box. TURBOMAT provides a user friendly computational environment for rapid assessment of Turbomachinery blades flutter characteristics, subjected to uncertain loading conditions with variability in material and aerodynamic properties. The tool is seen as an education tool for new students and young engineers starting their careers in structural Aeroelasticity who want to learn and understand aeroelastic aspects of turbomachinery components, fans, compressors and turbines, including uncertainties in loading and material properties.A typical fan blade configuration geometry was chosen to demonstrate the tool. The results are presented in the form of probabilistic density function (PDF), the cumulative distribution function (CDF) and sensitivity factors. Both first order fast probability integration (FPI) and the Monto Carlo (MC) techniques are used in the analysis and compared. The tool enabled us to quantify blade flutter reliability as well as the ranking of uncertain variables and their importance to blade flutter response.

Aeroelastic Analysis↗
NASA NTRSDate not supplied

Comparison of Artemis 2 and Artemis 5 Model Outcomes Using the Impact Probabilistic Risk Assessment Tool

BACKGROUND The Artemis campaign is a Moon exploration program with a series of six planned missions, five of which will be crewed. These five crewed missions will contain a single mission segment (space flight), or multiple mission segments involving space flight (Orion), lunar landing (LTV) and/or space habitat (Gateway). Each crewed segment faces the risk of unique medical conditions, necessitating medical sets/kits tailored to those specificities. To support and enable a data-driven and evidence-based decision-making process through out a mission’s life cycle, a software tool called IMPACT was developed. Using probabilistic risk assessment (PRA) methodologies, IMPACT (Informing Mission Planning via Analysis of Complex Tradespaces) is a novel tool built for analyzing the possibility of encountering complex medical risks during space flight, and for identifying the medical resources and capabilities needed to treat those potential at-risk medical conditions. This presentation will seek to compare IMPACT’s computational results upon potential complex space medical conditions (e.g., sprain/strain back or sleep disturbance) using IMPACT’s risk metrics and the associated optimized medical sets/kits between two Artemis missions: single segment Artemis 2 and multi-segmented Artemis 5. OVERVIEW By identifying potential medical conditions in space using input criteria such as crew quantity and composition, certain crew physical characteristics, mission duration and mission activities, IMPACT can produce analyses on the type of medical resources and capabilities needed to produce an optimized medical set/kit to address those medical conditions. IMPACT achieves this by performing hundreds of thousands of Monte Carlo simulations of missions to build aggregate pictures of medical risk. IMPACT’s risk metrics include loss of crew life (LOCL) – a measure of crew mortality due to medical conditions in space, return to definitive care (RTDC) – the need to perform crew evacuation, and task time lost (TTL) – a measure of the inability to perform activities due to crew disability. These risk metrics are applied to every medical condition identified by IMPACT’s computation analyses for every segment of the mission. Medical sets/kits are optimized to address these medical conditions but must fit within the stated Artemis Design Reference Mission (DRM) request for mass and volume physical size constraints. ANTICIPATED ANALYSIS AND CONCLUSION Using two Artemis missions, Artemis 2 and Artemis 5, IMPACT will provide the analyses for comparison of medical set/kit contents based upon mass and/or volume requirements and identify the at-risk medical conditions within both missions. This paper serves as an initial exploration of probabilistic risk assessment (PRA) medical risk calculations between two crewed Artemis missions and is not intended to be deemed the official medical response for the Artemis campaign.

probabilistic risk assessment↗
NASA NTRSDate not supplied

In-Depth Modeling and Simulation Analysis of Artemis Missions Using the Impact Probabilistic Risk Assessment Tool

BACKGROUND The Artemis campaign is a Moon exploration program with a series of six planned missions, five of which will be crewed. These five crewed missions will contain a single mission segment (space flight), or multiple mission segments involving space flight (Orion), lunar landing (LTV) and/or space habitat (Gateway). Each crewed segment faces the risk of unique medical conditions, necessitating medical sets/kits tailored to those specificities. To support and enable a data-driven and evidence-based decision-making process through out a mission’s life cycle, a software tool called IMPACT was developed. Using probabilistic risk assessment (PRA) methodologies, IMPACT (Informing Mission Planning via Analysis of Complex Tradespaces) is a novel tool built for analyzing the possibility of encountering complex medical risks during space flight, and for identifying the medical resources and capabilities needed to treat those potential at-risk medical conditions. IMPACT achieves this by performing hundreds of thousands of Monte Carlo simulations of missions to build aggregate pictures of medical risk. During an extended simulation modeling phase, IMPACT generated analytical results for medical risks, and the medical resources and capabilities to address those risks, for every segment of every crewed Artemis mission. This presentation will highlight the reliability, consistency and validity of IMPACT’s computational modeling techniques and will showcase the library of analytical outcomes generated for the Artemis missions. OVERVIEW During the early stages of IMPACT’s design, architecture and technical requirements collection, “scenarios” (use cases) - achievement goals required for acceptance testing, were identified by stakeholders. IMPACT successfully completed the scenario testing requirements and undertook an extensive operational run phase utilizing a wide range of input combinations with a goal of delivering a cohesive, trustworthy, reliable, vast, and diverse body of evidence. The intent of these modeling runs was to validate consistency in output, ensure solidity of executable operations and to streamline processes by identifying areas requiring efficiency improvements. Using the many missions of Artemis, IMPACT ran variations of operational runs to assess the output for acceptable, as well as unusual characteristics. This rigorous long-term “shakedown” analysis was implemented to help build a collective body of evidence to aid in securing a high level of confidence, reliability, and validity in the output, whether from the applicational components of IMPACT, or the entirety of the operational process. ANTICIPATED ANALYSIS AND CONCLUSION This presentation will discuss the various categories of input criteria; the comparisons in the application of these input criteria to various Artemis missions; the preparation and collection of the body of evidence, and reliability of the computational modeling techniques. This paper serves as an initial analytical overview of IMPACT’s probabilistic risk assessment (PRA) medical risk outputs covering Artemis missions and is not intended to be deemed the official medical response for the Artemis campaign.

Crew Composition↗
NASA NTRSDate not supplied

Investigating Risks Due to Artemis EVA Tempo Via Probabilistic Risk Assessment

Spaceflight operations pose unique challenges to crew health, safety, and resource management. As space agencies and private companies continue to push the boundaries of human exploration, it is essential to understand the risks associated with Extravehicular Activities (EVAs) and develop strategies to mitigate them. The tempo at which EVAs are conducted – the total number and frequency of these activities – can have a profound impact on medical risks, resource consumption, and overall mission success. Probabilistic risk assessment (PRA) provides a powerful framework for evaluating complex systems and identifying potential hazards. Our work employs the Medical Extensible Dynamic Probabilistic Risk Assessment Tool (MEDPRAT) [1] to simulate mission events, occurrence and treatment of medical conditions, and track the utilization of resources. Coupled with the Evidence Library [2], a medical evidence base for exploration-class missions developed by the Exploration Medical Capability within NASA’s Human Research Program, we can estimate these risks with increased fidelity and optimize medical kit contents to meet specific mission requirements. This presentation provides a detailed examination of how EVA tempo influences medical risk estimates for a lunar surface design reference mission. A comprehensive analysis is conducted to assess the additional mass and volume burden imposed on medical kits required to maintain adequate levels of risk mitigation. Furthermore, we estimate the distribution of the number of successful EVAs completed based on the level of task impairment imposed by medical events and flight rules related to specific medical events, such as decompression sickness.

Modeling↗
DOE OSTI2020

Probabilistic Forecast of All-Sky Solar Radiation Using Enhanced WRF-Solar: Preprint

This study presents enhancements of the Weather Research and Forecasting model with solar extensions (WRF-Solar) to provide probabilistic forecasts of solar radiation. Our approach builds ensemble WRF-Solar runs by introducing stochastic perturbations of variables that produce the largest uncertainties in predicting surface irradiance and clouds. The key variables are identified using tangent linear sensitivity analysis of six physics packages responsible for all-sky irradiance variability. An optimal strategy to stochastically perturb the selected variables is developed and applied to WRF-Solar to generate ensemble members for day-ahead solar prediction. The National Solar Radiation Database (NSRDB) is used to validate the ensemble forecast at arbitrary locations on the model grid. Preliminary results indicate that the proposed technique can potentially produce WRF-Solar ensembles providing reliable information of solar prediction uncertainty. This study describes the implemented methodology and initial results as well as future research to improve ensemble-based probabilistic forecasts with WRF-Solar.

all-sky↗
DOE OSTI2022

Probabilistic Methods for Cyclical and Coupled Systems with Changing Failure Rates

Advancements in nuclear system designs with automated control features provide many benefits, but can lead to complex coupled systems and dynamic failure scenarios. This is especially true for microreactor designs where components are not expected to be replaced during the reactor’s lifetime. Hence, the life of the system, in addition to the safety, needs to be evaluated. Modeling these sequences of time-dependent events requires addressing cyclical processes and changing failure rates in ways that represent the actual system dynamics in contrast to a single sampling for a component’s time to failure. This research presents two distinct analytical methods for several failure distributions that evaluate a final time to failure used for different scenarios where the time to failure must be sampled multiple times. The first method is used when evaluating a component whose failure rate increases due to an outside event after the initial sampling but before the initially sampled time to failure. The second method is used when evaluating multiple identical components or a component that has been replaced with a new identical version before the second sampling. The two methods were implemented in a few representative case studies developed in the dynamic probabilistic risk assessment tool Event Modeling Risk Assessment using Linked Diagrams. Overall, this paper provides guidelines on how these approaches give a more realistic and accurate dynamic probabilistic risk assessment of complex systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Hybrid method of deterministic and probabilistic approaches for multigroup neutron transport problem

A hybrid method of deterministic and probabilistic methods is proposed to solve Boltzmann transport equation. The new method uses a deterministic method, Method of Characteristics (MOC), for the fast and thermal neutron energy ranges and a probabilistic method, Monte Carlo (MC), for the intermediate resonance energy range. The hybrid method, in case of continuous energy problem, will be able to take advantage of fast MOC calculation and accurate resonance self shielding treatment of MC method. As a proof of principle, this paper presents the hybrid methodology applied to a multigroup form of Boltzmann transport equation and confirms that the hybrid method can produce consistent results with MC and MOC methods. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Development of Concentration Ratios and Transfer Factors for Human and Ecological Probabilistic Performance Assessments - 19781

Human and ecological risk assessments utilize concentration ratios and transfer factors to calculate contaminant concentrations in plant and animal tissues in equilibrium with soil or water (concentration ratios) or based on an animal's contaminant intake from various media (transfer factors). These ratios and factors are used to evaluate human dose via food ingestion pathways and to evaluate ecological dose to an organism. In a probabilistic performance assessment, concentration ratio and transfer factor distributions are developed for every element, and these distributions are applied across the spatial and temporal domain of the assessment. As a result, it is necessary to scale the underlying data distributions by applying the central limit theorem to develop appropriate distributions of the mean for the temporal and spatial scale of the model. Herein we discuss the methodologies for identifying and ranking references, and how to develop statistical distributions of concentration ratios and transfer factors for probabilistic performance assessment models. We also discuss factors that could be pertinent to differences when selecting references and developing distributions for human versus ecological risk assessment scenarios. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Probabilistic Groundwater Modeling of the RDX Plume at Los Alamos National Laboratory to Support Risk Assessment - 20359

A plume of the contaminant hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) with concentrations greater than the New Mexico tap water drinking standard (9.66 ppb) is present in the regional aquifer near the southwestern boundary of Los Alamos National Laboratory (LANL). A risk assessment is performed for exposure to regional aquifer groundwater, with long-term predictions of RDX concentrations provided by a calibrated, probabilistic, numerical fate and transport model. The structure of the model is hierarchical, with the RDX Regional Aquifer (RA) groundwater model acting as the primary tool for analysis of downgradient RDX concentrations. The RA model is deeply informed by the conceptual site model (CSM) and is calibrated using site RDX concentration data and hydraulic head measurements, along with other analyses. The model is calibrated using data through December 2019. Where data are scarce other lines of evidence are used to inform inputs, including the multiphase RDX Vadose Zone (VZ) model and Pipe and Disk analytical screening tool. Model inputs are described with informative prior distributions using a robust approach to development that incorporates all available lines of evidence for every parameter used as an input to the RA model. Calibration is performed using a classical nonlinear optimization routine, which is then used to initialize a Bayesian calibration. The Bayesian calibration constrains the uncertainty in the classical calibration, ultimately providing posterior distributions for all model parameters. The challenges of the calibration include high-dimensional parameter space, including spatially heterogeneous hydraulic conductivities, comparatively sparse data, and low RDX concentrations. Posterior parameter distributions developed in the calibration process are then used for stochastic predictive model runs into the future. The result of the forward runs is spatially and temporally explicit estimates of head and concentration with uncertainty at all points in space and time. The probabilistic modeling approach presented here includes innovative computational and statistical methods that leverage high-performance computing (HPC) resources. It makes use of prior modeling work performed at the chromium plume site in the central LANL area, with extensive updates. The risk assessment will ultimately be used to support decision-making at the site, using multiple appropriately weighted sources of information, as well as uncertainty, sensitivity, and value-of-information analyses. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

On the applicability of probabilistic analyses to assess the structural reliability of materials and components for solid-oxide fuel cells

The applicability of probabilistic analyses to assess the structural reliability of materials and components for solid-oxide fuel cells (SOFC) is investigated by measuring the failure rate of Ni-YSZ when subjected to a temperature gradient and comparing it with that predicted using the Ceramics Analysis and Reliability Evaluation of Structures (CARES) code. The use of a temperature gradient to induce stresses was chosen because temperature gradients resulting from gas flow patterns generate stresses during SOFC operation that are the likely to control the structural reliability of cell components The magnitude of the predicted failure rate was found to be comparable to that determined experimentally, which suggests that such probabilistic analyses are appropriate for predicting the structural reliability of materials and components for SOFCs. Considerations for performing more comprehensive studies are discussed.

Lara-Curzio, Edgar↗
DOE OSTI2023

Probabilistic partition of unity networks for high–dimensional regression problems

We explore the probabilistic partition of unity network (PPOU-Net) model in the context of high-dimensional regression problems and propose a general framework focusing on adaptive dimensionality reduction. With the proposed framework, the target function is approximated by a mixture of experts model on a low-dimensional manifold, where each cluster is associated with a fixed-degree polynomial. We present a training strategy that leverages the expectation maximization (EM) algorithm. During the training, we alternate between (i) applying gradient descent to update the DNN coefficients; and (ii) using closed-form formulae derived from the EM algorithm to update the mixture of experts model parameters. Under the probabilistic formulation, step (ii) admits the form of embarrassingly paralleliazable weighted least-squares solves. The PPOU-Nets consistently outperform the baseline fully-connected neural networks of comparable sizes in numerical experiments of various data dimensions. Here, we also explore the proposed model in applications of quantum computing, where the PPOU-Nets act as surrogate models for cost landscapes associated with variational quantum circuits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

A Classical-Quantum Hybrid Approach for Unsupervised Probabilistic Machine Learning

For training unsupervised probabilistic machine learning models, matrix computation and sample generation are the two key steps. While GPUs excel at matrix computation, they use pseudo-random numbers to generate samples. Contrarily, Adiabatic Quantum Processors (AQP) use quantum mechanical systems to generate samples accurately and quickly, but are not suited for matrix computation. We present a Classical-Quantum Hybrid Approach for training unsupervised probabilistic machine learning models, leveraging GPUs for matrix computations and the D-Wave quantum sampling library for sample generation. We compare this approach to classical and quantum approaches across four performance metrics. Our results indicate that while the hybrid approach–which uses one AQP and one GPU–outperforms quantum and one of the classical approaches, it performs comparably to the GPU approach, and is outperformed by the CPU approach, which uses 56 high-end CPUs. Lastly, we compare sampling on AQP versus sampling library and show that AQP performs better.

Date, Prasanna↗
DOE OSTI2021

A Sparse-Grid Probabilistic Scheme for Approximation of the Runaway Probability of Electrons in Fusion Tokamak Simulation

Runaway electrons (RE) generated during magnetic disruptions present a major threat to the safe operation of plasma nuclear fusion reactors. A critical aspect of understanding RE dynamics is to calculate the runaway probability, i.e., the probability that an electron in the phase space will runaway on, or before, a prescribed time. Such probability can be obtained by solving the adjoint equation of the underlying Fokker-Planck equation that controls the electron dynamics. In this effort, we present a sparse-grid probabilistic scheme for computing the runaway probability. The key ingredient of our approach is to represent the solution of the adjoint equation as a conditional expectation, such that discretizing the differential operator reduces to the approximation of a set of integrals. Adaptive sparse grid interpolation is utilized to approximate the map from the phase space to the runaway probability. The main novelties of this effort are the integration of the sparse-grid method into the probabilistic numerical scheme for computing escape probability, and the application of the proposed method in computing RE probabilities. Two numerical examples are given to illustrate that the proposed method can achieve O(Δt) convergence, and that the local anisotropic adaptive refinement strategy (M. Stoyanov, Adaptive sparse grid construction in a context of local anisotropy and multiple hierarchical parents. In: Sparse Grids and Applications-Miami 2016, Springer, Berlin, 2018, pp. 175–199) can effectively handle the sharp transition layer between the runaway and non-runaway regions.

Yang, Minglei↗
DOE OSTI2024

Denoising diffusion probabilistic models for generative alloy design

Inverse material design is an extremely challenging optimization task made difficult by, in part, the highly nonlinear relationship linking performance with composition. Quantitative approaches have improved significantly owing to advances in high throughput experimentation and computational thermodynamics. However, existing physics-based tools are mostly forward models; input a chemistry and obtain a prediction. More recently the materials community has leveraged advances in the machine learning community to establish novel inverse design frameworks. Very recently denoising diffusion probabilistic models have been shown to be extremely powerful generators producing synthetic data of various modalities e.g. images, text, audio, tables, etc.. In this work a novel framework for alloy design and optimization is proposed leveraging these class of models. Five key generative tasks are demonstrated (1) unconditional generation (2) composition conditioned generation (3) property conditioned generation (4) multi-feedstock conditioned generation and (5) generative optimization. These methods were tested on three case studies: high entropy alloy design, superalloy binder jet additive manufacturing, and in-situ dual-feedstock wire-arc additive manufacturing. Results indicate that the established models are extremely flexible, expressive, and robust. The architecture’s flexibility and training procedure empower the model to learn complex intra-compositional and composition-property relationships. Furthermore, the probabilistic nature of these models makes them well suited for addressing solution non-uniqueness and tackling uncertainty quantification tasks. While the fidelity and quantity of the underlying training data is paramount, we envision that future alloy design frameworks will make extensive use of these kinds of machine learning models as “search” tools bolstering the utility of experimental and computational approaches.

36 MATERIALS SCIENCE↗