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Results for “Bayesian Optimization”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Generating Exploration Mission-3 Trajectories to a 9:2 NRHO using Machine Learning

The purpose of this thesis is to design a machine learning algorithm platform that provides expanded knowledge of mission availability through a launch season by improving trajectory resolution and introducing launch mission forecasting. The specific scenario addressed in this paper is one in which data is provided for four deterministic translational maneuvers through a mission to a Near Rectilinear Halo Orbit (NRHO) with a 9:2 synodic frequency. Current launch availability knowledge under NASA's Orion Orbit Performance Team is established by altering optimization variables associated to given reference launch epochs. This current method can bean abstract task and relies on an orbit analyst to structure a mission based on an established mission design methodology associated to the performance of Orion and NASA's Space Launch System. Introducing a machine learning algorithm trained to construct mission scenarios within the feasible range of known trajectories reduces the required interaction of the orbit analyst by removing the needed step of optimizing the orbit to fit an expected translational response required of the spacecraft. In this study, k-Nearest Neighbor and Bayesian Linear Regression successfully predicted classical orbital elements for the launch windows observed. However both algorithms had limitations due to their approaches to model fitting. Training machine learning algorithms off of classical orbital elements introduced a repetitive approach to reconstructing mission segments for different arrival opportunities through the launch window and can prove to be a viable method of launch window scan generation for future missions.

Guzman, Esteban↗
NASA NTRS2011

NASA's Human Mission to a Near-Earth Asteroid: Landing on a Moving Target

This paper describes a Bayesian approach for comparing the productivity and cost-risk tradeoffs of sending versus not sending one or more robotic surveyor missions prior to a human mission to land on an asteroid. The expected value of sample information based on productivity combined with parametric variations in the prior probability an asteroid might be found suitable for landing were used to assess the optimal number of spacecraft and asteroids to survey. The analysis supports the value of surveyor missions to asteroids and indicates one launch with two spacecraft going simultaneously to two independent asteroids appears optimal.

precursor decision making↗
DOE OSTI2022

Optimal Experimental Design for Inverse Problems in the Presence of Observation Correlations

Optimal experimental design (OED) is the general formalism of sensor placement and decisions on the data collection strategy for engineered or natural experiments. This problem is prevalent in many critical fields such as battery design, numerical weather prediction, geosciences, environmental and urban studies. State-of-the-art computational methods for experimental design do not accommodate correlation structure in observational errors produced by many expensive-to-operate devices such as X-ray machines, radars, and satellites. Discarding evident data correlations leads to biased results, higher expenses, and waste of valuable resources. We present a general formulation of the OED formalism for model-constrained large-scale Bayesian linear inverse problems, where measurement errors are generally correlated. The proposed approach utilizes the Hadamard product of matrices to formulate the weighted-likelihood, and is valid for both finite as well as infinite-dimensional Bayesian inverse problems. Extensive numerical experiments are carried out for empirical verification of the proposed approach using an advection-diffusion model, where the objective is to optimally place a small set of sensors, under a limited budget, to predict the concentration of a contaminant in a closed and bounded domain.

Correlated observations↗
DOE OSTI2025

Bayesian prior construction for uncertainty quantification in first-principles statistical mechanics

First-principles statistical mechanics enables the prediction of thermodynamic and kinetic properties of materials, but is computationally expensive. Many approaches require surrogate models to calculate energies within Monte Carlo or molecular dynamics simulations. Inexpensive surrogates such as cluster expansions enable otherwise intractable calculations by interpolating data from higher accuracy methods, such as Density Functional Theory (DFT). Surrogate models introduce uncertainty into downstream calculations, in addition to any uncertainty inherent to DFT calculations. Bayesian frameworks address this by quantifying uncertainty and incorporating expert knowledge through priors. However, constructing effective priors remains challenging. This work introduces and describes practical strategies for building Bayesian cluster expansions, focusing on basis truncation, hyperparameter selection, and ground state replication. We analyze multiple basis truncation schemes, compare cross-validation to the evidence-approximation for hyperparameter optimization, and provide methods to find and enforce ground-state-preserving models through priors. Additionally, we compare the uncertainties between different approximations to DFT (LDA, PBE, SCAN) against the uncertainty introduced with the use of cluster expansion surrogate models. These approaches are demonstrated on the BCC Li x Mg 1-x and Li x Al 1-x alloys, which are both of interest for solid-state Li batteries. Our results provide guidelines for constructing and utilizing Bayesian cluster expansions, thereby improving the transparency of materials modeling. Furthermore, the approaches and insights developed in this work can be transferred to a wide range of cluster expansion surrogate models, including the atomic cluster expansion and related machine-learned interatomic potential architectures.

Alloy theory↗
NASA NTRS1975

Methods Studies on System Identification from Transient Rotor Tests

Some of the more important methods are discussed that have been used or proposed for aircraft parameter identification. The methods are classified into two groups: Equation error or regression estimates and Bayesian estimates and their derivatives that are based on probabilistic concepts. In both of these two groups the cost function can be optimized either globally over the entire time span of the transient, or sequentially, leading to the formulation of optimum filters. Identifiability problems and the validation of the estimates are briefly outlined, and applications to lifting rotors are discussed.

Hohenemser, K. H.↗
NASA NTRS2022

Low-Earth Orbit Trajectory Optimization in the Presence of Atmospheric Uncertainty

The previous 20 to 25 years have seen a tremendous increase in space exploration, and with that an increase in the level of logistics planning needed to ensure mission success. For spacecraft that are designed to be periodically re-supplied, a key logistics consumable is propellant, as it constitutes the greatest up-mass on re-supply vehicles. A trajectory design strategy is therefore desired that minimizes propellant usage in order to ease the demand for propellant re-supply missions. This thesis develops such a strategy in three stages, and uses the International Space Station (ISS) as its testbed, as no other LEO spacecraft is more challenging from a space logistics standpoint. First, the ISS trajectory planning problem is formulated as a constrained burn optimization problem assuming a deterministic atmosphere. The cost function is total ∆v, with constraints imposed on longitude of ascending viii node (LAN) and semi-major axis (SMA) altitude. Analytic derivatives are constructed for both the cost and constraints, which are necessary given the 6-week to 2-year time frames being considered. A gradient-based optimizer is then utilized to find locally-optimal solutions to real-world ISS trajectory planning problems. Second, atmospheric uncertainty is addressed by constructing a probabilistic model of space weather data using Gaussian Processes (GPs). Bayesian inference is performed using the GP model to generate mean and covariance estimates for space weather predictions, whose pedigree is assessed against test data. The predictions are then mapped into atmospheric density via the analytic Jacchia-Roberts density model, and the effect of space weather uncertainty on orbital lifetime is examined. Third, an ISS burn execution uncertainty model is developed. This model, along with the space weather uncertainty model, are deployed in a linear covariance analysis to ascertain their combined effect on LAN and SMA altitude dispersions. The deterministic constraints from the original problem are re-formulated as stochastic constraints, where now the constraint uncertainty interval is required to fall within specified bounds. An updated optimization framework is constructed using the original ∆v cost function along with the stochastic constraints to solve the trajectory optimization problem under atmospheric uncertainty. Finally, the complete architecture is summarized for deployment in an operational setting.

Trajectory Optimization↗
DOE OSTI2026

Physicochemical and Performance Characterization of Six Commercial Organic Solvent Nanofiltration Membranes

This work introduces a novel, gradient-free metamaterial design method based on Gaussian process regression to represent the density field of a unit cell. The dimension of the design space is determined by the covariance matrix dimension in the Gaussian process regression. We propose compressing this matrix using an autoencoder, enabling the decoder to generate the density field and effectively reduce the originally large design space to a lower-dimensional subspace. In this compressed space, we employ an active learning method, Bayesian Adaptive Direct Search (BADS), for efficient exploration of the design space. We demonstrate that for simple 2D designs aimed at maximizing unit cell stiffness, our method yields results comparable to those of standard topology optimization. Furthermore, we extend our approach to various mechanical problems, from linear elasticity to hyperelastic large deformation and elasto-plasticity under finite deformation, to 3D metamaterial design. This illustrates the method’s versatility and effectiveness across a range of applications.

Wu, Haoran↗
NASA NTRSDate not supplied

SPIKE-Dx : A Low-Power High-Throughput Fault Diagnostics Tool using Spiking Neural Networks for Constrained Systems

Diagnostic systems are important for many aerospace systems, which are severely limited in available power, like cubesats or UAVs. Therefore, traditional diagnostics systems cannot be used due to their substantial footprint and constraints. In this paper, we present our very low power diagnostic tool SPIKE-DX to monitor critical systems with constrained computational and energy resources. This is made possible through spiking neural networks (SNNs), which are executable within optimized simulation environments and further implemented on on cutting-edge neuromorphic hardware. Based upon FMEA (Failure Mode and Effect Analysis) framework, Diagnostic Bayesian Networks (DBNs) can be constructed that provide powerful means for diagnostic reasoning. In this paper, we describe such DBNs and a method to automatically translate the DBN into highly structured networks of spiking neurons for execution in SPIKE-DX.

Spiking Neural Networks↗
DOE OSTI2023

Deep Sigma Point Processes-Assisted Chance-Constrained Power System Transient Stability Preventive Control

Here this paper proposes a deep sigma point processes (DSPP)-assisted chance-constrained power system transient stability preventive control method to deal with uncertain renewable energy and loads-induced stability risk. The traditional transient stability-constrained preventive control is reformulated as a chance-constrained optimization problem. To deal with the computational bottleneck of the time-domain simulation-based probabilistic transient stability assessment, the DSPP is developed. DSPP is a parametric Bayesian approach that allows us to predict system transient stability with high computational efficiency while accurately quantifying the confidence intervals of the predictions that can be used to inform system instability risk. To this end, with a given preset confidence probability, we embed DSPP into the primal dual interior point method to help solve the chance-constrained preventive control problem, where the corresponding Jacobian and Hessian matrices are derived. Comparison results with other existing methods show that the proposed method can significantly speed up preventive control while maintaining high accuracy and convergence

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Estimation of hydraulic conductivity in a watershed using sparse multi-source data via Gaussian process regression and Bayesian experimental design

Enhanced water management systems depend on accurate estimation of subsurface hydraulic properties. However, geologic formations can vary significantly, so information from a single source (e.g., widely spaced boreholes) is insufficient in characterizing subsurface aquifer properties. Therefore, multiple sources of information are needed to complement the hydrogeology understanding of a region. Here, this study presents a numerical framework in which information from different measurement sources is combined to characterize the 3D random field in a multi-fidelity prediction model. Coupled with the model, a Bayesian experimental design was used to determine the best future sampling locations. The Upper Sangamon watershed in east-central Illinois was selected as the case study site, where the multi-fidelity Gaussian process model was used to estimate the hydraulic conductivity in the region of interest. Multi-source observation data were obtained from electrical resistivity and borehole pumping tests. The accuracy of the model prediction is dependent on the locations and the distribution of both high- and low-fidelity data. Furthermore, the multi-fidelity model was compared with the single-fidelity model. The uncertainties and confidence in the measurements and parameter estimates were quantified and used to design future cycles of data collection to further improve the confidence intervals.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Sensitivity Analysis of Genome-Scale Metabolic Flux Prediction

TRIMER, Transcription Regulation Integrated with MEtabolic Regulation, is a genome-scale modeling pipeline targeting at metabolic engineering applications. Using TRIMER, regulated metabolic reactions can be effectively predicted by integrative modeling of metabolic reactions with a Transcription Factor (TF)-gene regulatory network (TRN), which is modeled via a Bayesian network (BN). In this paper, we focus on sensitivity analysis of metabolic flux prediction for uncertainty quantification of BN structures for TRN modeling in TRIMER. We propose a computational strategy to construct the uncertainty class of TRN models based on the inferred regulatory order uncertainty given transcriptomic expression data. With that, we analyze the prediction sensitivity of the TRIMER pipeline for the metabolite yields of interest. The obtained sensitivity analyses can guide Optimal Experimental Design (OED) to help acquire new data that can enhance TRN modeling and achieve specific metabolic engineering objectives, including metabolite yield alterations. Here we have performed small- and large-scale simulated experiments, demonstrating the effectiveness of our developed sensitivity analysis strategy for BN structure learning to quantify the edge importance in terms of metabolic flux prediction uncertainty reduction and its potential to effectively guide OED.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Analyzing Data Privacy for Edge Systems

Internet-of-Things (IoT)-based streaming applications are all around us. Currently, we are transitioning from IoT processing being performed on the cloud to the edge. While moving to the edge provides significant networking efficiency benefits, IoT edge computing creates significant data privacy concerns. We propose a methodology that can successfully privacy protect the continual data streams generated by sensors on the edge device. We implement local differential privacy on streaming data and incorporate Bayesian inference and Gaussian process to evaluate the privacy policy. We demonstrate our methodology on a real-world smart meter testbed and identify the optimal privacy protection settings.

Kotevska, Olivera↗
NASA NTRS1993

Load Balancing Using Time Series Analysis for Soft Real Time Systems with Statistically Periodic Loads

This thesis provides design and analysis of techniques for global load balancing on ensemble architectures running soft-real-time object-oriented applications with statistically periodic loads. It focuses on estimating the instantaneous average load over all the processing elements. The major contribution is the use of explicit stochastic process models for both the loading and the averaging itself. These models are exploited via statistical time-series analysis and Bayesian inference to provide improved average load estimates, and thus to facilitate global load balancing. This thesis explains the distributed algorithms used and provides some optimality results. It also describes the algorithms' implementation and gives performance results from simulation. These results show that the authors' techniques allow more accurate estimation of the global system loading, resulting in fewer object migrations than local methods. The authors' method is shown to provide superior performance, relative not only to static load-balancing schemes but also to many adaptive load-balancing methods. Results from a preliminary analysis of another system and from simulation with a synthetic load provide some evidence of more general applicability.

LOAD CONTROL↗
NASA NTRS1993

Load Balancing Using Time Series Analysis for Soft Real Time Systems with Statistically Periodic Loads

This thesis provides design and analysis of techniques for global load balancing on ensemble architectures running soft-real-time object-oriented applications with statistically periodic loads. It focuses on estimating the instantaneous average load over all the processing elements. The major contribution is the use of explicit stochastic process models for both the loading and the averaging itself. These models are exploited via statistical time-series analysis and Bayesian inference to provide improved average load estimates, and thus to facilitate global load balancing. This thesis explains the distributed algorithms used and provides some optimality results. It also describes the algorithms' implementation and gives performance results from simulation. These results show that our techniques allow more accurate estimation of the global system load ing, resulting in fewer object migration than local methods. Our method is shown to provide superior performance, relative not only to static load-balancing schemes but also to many adaptive methods.

REAL TIME↗
DOE OSTI2023

BayFlux: A Bayesian method to quantify metabolic Fluxes and their uncertainty at the genome scale

Metabolic fluxes, the number of metabolites traversing each biochemical reaction in a cell per unit time, are crucial for assessing and understanding cell function. 13 C Metabolic Flux Analysis ( 13 C MFA) is considered to be the gold standard for measuring metabolic fluxes. 13 C MFA typically works by leveraging extracellular exchange fluxes as well as data from 13 C labeling experiments to calculate the flux profile which best fit the data for a small, central carbon, metabolic model. However, the nonlinear nature of the 13 C MFA fitting procedure means that several flux profiles fit the experimental data within the experimental error, and traditional optimization methods offer only a partial or skewed picture, especially in “non-gaussian” situations where multiple very distinct flux regions fit the data equally well. Here, we present a method for flux space sampling through Bayesian inference (BayFlux), that identifies the full distribution of fluxes compatible with experimental data for a comprehensive genome-scale model. This Bayesian approach allows us to accurately quantify uncertainty in calculated fluxes. We also find that, surprisingly, the genome-scale model of metabolism produces narrower flux distributions (reduced uncertainty) than the small core metabolic models traditionally used in 13 C MFA. The different results for some reactions when using genome-scale models vs core metabolic models advise caution in assuming strong inferences from 13 C MFA since the results may depend significantly on the completeness of the model used. Based on BayFlux, we developed and evaluated novel methods (P- 13 C MOMA and P- 13 C ROOM) to predict the biological results of a gene knockout, that improve on the traditional MOMA and ROOM methods by quantifying prediction uncertainty.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Convolutional neural networks on the HEALPix sphere: a pixel-based algorithm and its application to CMB data analysis

We describe a novel method for the application of convolutional neural networks (CNNs) to fields defined on the sphere, using the Hierarchical Equal Area Latitude Pixelization scheme (HEALPix). Specifically, we have developed a pixel-based approach to implement convolutional and pooling layers on the spherical surface, similarly to what is commonly done for CNNs applied to Euclidean space. The main advantage of our algorithm is to be fully integrable with existing, highly optimized libraries for NNs (e.g., PyTorch, TensorFlow, etc.). We present two applications of our method: (i) recognition of handwritten digits projected on the sphere; (ii) estimation of cosmological parameter from simulated maps of the cosmic microwave background (CMB). The latter represents the main target of this exploratory work, whose goal is to show the applicability of our CNN to CMB parameter estimation. We have built a simple NN architecture, consisting of four convolutional and pooling layers, and we have used it for all the applications explored herein. Concerning the recognition of handwritten digits, our CNN reaches an accuracy of ~95%, comparable with other existing spherical CNNs, and this is true regardless of the position and orientation of the image on the sphere. For CMB-related applications, we tested the CNN on the estimation of a mock cosmological parameter, defining the angular scale at which the power spectrum of a Gaussian field projected on the sphere peaks. We estimated the value of this parameter directly from simulated maps, in several cases: temperature and polarization maps, presence of white noise, and partially covered maps. For temperature maps, the NN performances are comparable with those from standard spectrum-based Bayesian methods. For polarization, CNNs perform about a factor four worse than standard algorithms. Nonetheless, our results demonstrate, for the first time, that CNNs are able to extract information from polarization fields, both in full-sky and masked maps, and to distinguish between E and B -modes in pixel space. Lastly, we have applied our CNN to the estimation of the Thomson scattering optical depth at reionization ( τ ) from simulated CMB maps. Even without any specific optimization of the NN architecture, we reach an accuracy comparable with standard Bayesian methods. This work represents a first step towards the exploitation of NNs in CMB parameter estimation and demonstrates the feasibility of our approach.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Dark Energy Survey Year 3 results: optimized $w$CDM simulation-based inference with weak lensing map-level hybrid statistics

We present cosmological constraints from the Dark Energy Survey Year 3 (DES Y3) weak lensing data using hierarchical hybrid statistics within a Bayesian simulation-based inference framework that is based on the Gower Street simulations. To maximize the precision of the inference, we have developed a new, information-theory based, data compression of the weak lensing maps to just seven highly informative summary statistics. The hybrid scheme exploits the high information content of the power spectrum, compressing both the power spectrum and neural-based summaries that are designed to extract further information. Our simulation-based approach enables principled forward modelling of all major sources of systematic uncertainty and survey properties into realistic mock observations, including the survey mask, photometric redshift uncertainties, intrinsic galaxy alignments, multiplicative shear calibration bias, source galaxy clustering, non-Gaussian shape noise, and non-linear structure formation. The summary statistics are then used in a Bayesian simulation-based inference pipeline. The inference is validated through coverage tests and checks for robustness against baryonic feedback. Assuming a $w$CDM cosmology, our analysis yields $S_8 = 0.808 \pm 0.017$, $Ω_{\rm m} = 0.325 \pm 0.024$, and $w < -0.766$ (marginalized posterior 68 per cent credible intervals). This rigorous combination of information theory, physics- and neural network-based extreme data compression, and principled Bayesian analysis improves the figure of merit for $(Ω_{\rm m}, S_8, w)$ by 60 per cent over the previous state-of-the-art, and by almost a factor of 3 over two-point analyses of the same data. They are the most precise joint constraints on $(Ω_{\rm m}, S_8, w)$ from weak gravitational lensing data alone of any survey to date. We intend to apply this analysis to the more recent DES Y6 data.

Williamson, J. [University Coll. London]↗
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.↗