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All sources NASA NTRS DOE OSTI

DOE OSTI2024

Bayesian reduced-order deep learning surrogate model for dynamic systems described by partial differential equations

We propose a reduced-order deep-learning surrogate model for dynamic systems described by time-dependent partial differential equations. This method employs space–time Karhunen–Loève expansions (KLEs) of the state variables and space-dependent KLEs of space-varying parameters to identify the reduced (latent) dimensions. Subsequently, a deep neural network (DNN) is used to map the parameter latent space to the state variable latent space. An approximate Bayesian method is developed for uncertainty quantification (UQ) in the proposed KL-DNN surrogate model. The KL-DNN method is tested for the linear advection–diffusion and nonlinear diffusion equations, and the Bayesian approach for UQ is compared with the deep ensembling (DE) approach, commonly used for quantifying uncertainty in DNN models. It was found that the approximate Bayesian method provides a more informative distribution of the PDE solutions in terms of the coverage of the reference PDE solutions (the percentage of nodes where the reference solution is within the confidence interval predicted by the UQ methods) and log predictive probability. The DE method is found to underestimate uncertainty and introduce bias. For the nonlinear diffusion equation, we compare the KL-DNN method with the Fourier Neural Operator (FNO) method and find that KL-DNN is 10% more accurate and needs less training time than the FNO method.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Machine learning method for enforcing variable independence in background estimation with LHC data: ABCDisCoTEC

A novel solution is presented for the problem of estimating the backgrounds of a signal search using observed data while simultaneously maximizing the sensitivity of the search to the signal. The 'ABCD method' provides a reliable framework for background estimation by partitioning events into one signal-enhanced region (A) and three background-enhanced control regions (B, C, and D) via two smoothly varying, statistically independent variables. In practice, even slight correlations between the two variables can significantly undermine the method's performance. Thus, choosing appropriate variables by hand can present a formidable challenge, especially when background and signal differ only subtly. To address this issue, the ABCD with distance correlation (ABCDisCo) method was developed to construct two learned variables via a neural network trained to provide strong signal-background discrimination with small values of the distance correlation (DisCo) measure between the two learned variables. However, relying solely on minimizing the DisCo can result in learned variables that may not have distributions of background events that are smoothly varying and localized at extreme values, as necessary for the validity of the background estimation. The ABCDisCo training enhanced with closure (ABCDisCoTEC) method is introduced to solve this issue by directly minimizing the nonclosure, expressed as a dedicated differentiable loss term. This extended method is applied to a data set of proton-proton collisions at a center-of-mass energy of 13 TeV recorded by the CMS detector at the CERN Large Hadron Collider. Additionally, given the complexity of the minimization problem with constraints on multiple loss terms, the modified differential method of multipliers is applied and shown to greatly improve the stability and robustness of the ABCDisCoTEC method, compared to grid search hyperparameter optimization procedures.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗

DOE OSTI2021

Improvements of pre-emptive identification of particle accelerator failures using binary classifiers and dimensionality reduction

In this paper we look at the properties of the Spallation Neutron Source (SNS) Differential Beam Current Monitor (DCM) data and various methods of data transformation to improve pre-emptive detection of machine trips. In this study, the foundation of the approach is the analysis of new underlying data and understanding various properties with the goal of faster classification, higher precision and higher recall with the aim to reduce false positives as low as required. The result of the research presented in this paper are a binary classifier capable of predicting accelerator failures with millisecond classification time, 96% precision, 58% true positive and 0% false positive rate and optimization techniques enabling real-time implementations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Nuclear Power Fault Diagnostics and Preventative Maintenance Optimization

Operation and maintenance costs for nuclear power plants are very large. Reactors are starting to shut down even after their operating licenses have been extended, because they are not price competitive compared to other energy sources. The nuclear industry is witnessing early closure of nuclear power plants due to economic reasons despite excellent safety records. Therefore, it is imperative to reduce costs to prevent these early closures. This paper showcases recent research into advanced fault diagnostics techniques and preventative maintenance optimization to reduce these maintenance costs. This report focuses on the condensate and feedwater system for both pressurized and boiling water reactor systems. The computerized maintenance management system, which contains the plant’s digital record of all the corrective- and preventative-maintenance work orders, was used as a ground truth to locate potential faults and label the process data as healthy or faulty. Various feature extraction techniques were utilized to further differentiate the faults from the healthy data. Support vectors machines were used to categorize other test sets of process data as healthy or faulty through a cross validation procedure. Similar faults were not found within this system leading to preventative maintenance optimization. Unnecessary amounts of preventative maintenance lead to inflated maintenance costs. This paper summarizes the steps for preventative maintenance optimization from component health determination to recommendation for action. This optimization was completed for condensate pumps, condensate booster pumps, and the respective motors that drive them.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Fast and accurate simulations of calorimeter showers with normalizing flows

In this study, we introduce caloflow, a fast detector simulation framework based on normalizing flows. For the first time, we demonstrate that normalizing flows can reproduce many-channel calorimeter showers with extremely high fidelity, providing a fresh alternative to computationally expensive geant4 simulations, as well as other state-of-the-art fast simulation frameworks based on generative adversarial networks (GANs) or variational autoencoders (VAEs). In addition to the usual histograms of physical features and images of calorimeter showers, we introduce a new metric for judging the quality of generative modeling: the performance of a classifier trained to differentiate real from generated images. We show that GAN-generated images can be identified by the classifier with nearly 100% accuracy, while images generated from caloflow are better able to fool the classifier. More broadly, normalizing flows offer several advantages compared to other state-of-the-art approaches (GANs and VAEs), including tractable likelihoods, stable and convergent training, and principled model selection. Normalizing flows also provide a bijective mapping between data and the latent space, which could have other applications beyond simulation, for example, to detector unfolding.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Explainable AI classification for parton density theory

Quantitatively connecting properties of parton distribution functions (PDFs, or parton densities) to the theoretical assumptions made within the QCD analyses which produce them has been a longstanding problem in HEP phenomenology. To confront this challenge, we introduce an ML-based explainability framework, XAI4PDF, to classify PDFs by parton flavor or underlying theoretical model using ResNet-like neural networks (NNs). By leveraging the differentiable nature of ResNet models, this approach deploys guided backpropagation to dissect relevant features of fitted PDFs, identifying x-dependent signatures of PDFs important to the ML model classifications. By applying our framework, we are able to sort PDFs according to the analysis which produced them while constructing quantitative, human-readable maps locating the x regions most affected by the internal theory assumptions going into each analysis. This technique expands the toolkit available to PDF analysis and adjacent particle phenomenology while pointing to promising generalizations.

Artificial Intelligence↗

DOE OSTI2023

Phase Space Reconstruction from Accelerator Beam Measurements Using Neural Networks and Differentiable Simulations

Characterizing the phase space distribution of particle beams in accelerators is a central part of accelerator understanding and performance optimization. However, conventional reconstruction-based techniques either use simplifying assumptions or require specialized diagnostics to infer high-dimensional (> $2D$) beam properties. In this Letter, we introduce a general-purpose algorithm that combines neural networks with differentiable particle tracking to efficiently reconstruct high-dimensional phase space distributions without using specialized beam diagnostics or beam manipulations. Furthermore, we demonstrate that our algorithm accurately reconstructs detailed 4D phase space distributions with corresponding confidence intervals in both simulation and experiment using a single focusing quadrupole and diagnostic screen. This technique allows for the measurement of multiple correlated phase spaces simultaneously, which will enable simplified 6D phase space distribution reconstructions in the future.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Data-driven, multi-moment fluid modeling of Landau damping

Deriving governing equations of complex physical systems based on first principles can be quite challenging when there are certain unknown terms and hidden physical mechanisms in the systems. In this work, we apply a deep learning architecture to learn fluid partial differential equations (PDEs) of a plasma system based on the data acquired from a fully kinetic model. Here, the learned multi-moment fluid PDEs are demonstrated to incorporate kinetic effect such as Landau damping. Based on the learned fluid closure, the data-driven, multi-moment fluid modeling can well reproduce all the physical quantities derived from the fully kinetic model. The calculated damping rate of Landau damping is consistent with both the fully kinetic simulation and the linear theory. The data-driven fluid modeling of PDEs for complex physical systems may be applied to improve the fluid closure and reduce the computational cost of multi-scale modeling of global systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRSDate not supplied

Polar Resources Ice Mining Experiment-1 (PRIME-1) NASA’s First Polar Drilling and Volatiles Detection Mission

The US Administration announced in 2019 that NASA would return to the Moon where it would seek to establish a sustainable lunar presence. In Situ Resource Utilization (ISRU) is needed to sustain and grow hu-man surface exploration and it is therefore a vital part of ensuring this bold endeavor. ISRU requires ground-truth on physical, mineral, and volatile characteristics of the resources. Water, a key and game-changing resource, exists in the polar regions of the Moon. Learning to harvest and use this resource first requires understanding where the resource is abundantly located and on what scales. Harvested water, which is usable for life support and fuel, must be identified, quantified, and assessed for its mining feasibility. The project goal for PRIME-1 is to develop a flight-ready instrumentation package that can assess the volatiles at a polar lunar landing location. PRIME-1 is the combination of two instruments; Mass Spectrometer observing lunar operations (MSolo) and The Regolith and Ice Drill for Exploring New Terrain (TRIDENT). TRIDENT is an 1-meter augering drill capable of bringing incremental lunar regolith samples to the surface for volatile analysis. MSolo is a modified, commercial-off-the-shelf (COTS) mass spectrometer capable of qualifying and quantifying atomic species in the 1-100 amu range, including isotopic differentiation. These two lunar flight instruments operating together make up the PRIME-1 instrument suite. PRIME-1 intends to fly on and operate from a static lunar lander acquired by the NASA Commercial Lunar Payload Services (CLPS) acquisition process. The PRIME-1 payload suite was selected to fly on Intuitive Machines Nova-C lander, and is currently targeting a late Fall 2023 landing attempt.

MSolo↗

NASA NTRSDate not supplied

Polar Resources Ice Mining Experiment-1 (PRIME-1) NASA’s First Polar Drilling and Volatiles Detection Mission

MSolo↗

NASA NTRS2020

Neural Network Reflectance Prediction Model for Both Open Ocean and Coastal Waters

Remote sensing of global ocean color is a valuable tool for understanding the ecology and biogeochemistry of the worlds oceans, and provides critical input to our knowledge of the global carbon cycle and the impacts of climate change. Ocean polarized reflectance contains information about the constituents of the upper ocean euphotic zone, such as colored dissolved organic matter (CDOM), sediments, phytoplankton, and pollutants. In order to retrieve the information on these constituents, remote sensing algorithms typically rely on radiative transfer models to interpret water color or remote-sensing reflectance; however, this can be resource-prohibitive for operational use due to the extensive CPU time involved in radiative transfer solutions. In this work, we report a fast model based on machine learning techniques, called Neural Network Reflectance Prediction Model (NNRPM), which can be used to predict ocean bidirectional polarized reflectance given inherent optical properties of ocean waters. This supervised model is trained using a large volume of data derived from radiative transfer simulations for coupled atmosphere and ocean systems using the successive order of scattering technique (SOS-CAOS). The performance of the model is validated against another large independent test dataset generated from SOS-CAOS. The model is able to predict both polarized and unpolarized reflectances with an absolute error (AE) less than 0.004 for 99% of test cases. We have also shown that the degree of linear polarization (DoLP) for unpolarized incident light can be predicted with an AE less than 0.002 for 99% of test cases. In general, the simulation time of SOS-CAOS depends on optical depth, and required accuracy. When comparing the average speeds of the NNRPM against the SOS-CAOS model for the same parameters, we see that the NNRPM is able to predict the Ocean BRDF 6000 times faster than SOS-CAOS. Both ultraviolet and visible wavelengths are included in the model to help differentiate between dissolved organic material and chlorophyll in the study of the open ocean and the coastal zone. The incorporation of this model into the retrieval algorithm will make the retrieval process more efficient, and thus applicable for operational use with global satellite observations.

radiative transfer↗

DOE OSTI2021

Machine learning and algebraic approaches towards complete matter spectra in 4d F-theory

Motivated by engineering vector-like (Higgs) pairs in the spectrum of 4d F-theory compactifications, we combine machine learning and algebraic geometry techniques to analyze line bundle cohomologies on families of holomorphic curves. To quantify jumps of these cohomologies, we first generate 1.8 million pairs of line bundles and curves embedded in dP 3 , for which we compute the cohomologies. A white-box machine learning approach trained on this data provides intuition for jumps due to curve splittings, which we use to construct additional vector-like Higgs-pairs in an F-Theory toy model. We also find that, in order to explain quantitatively the full dataset, further tools from algebraic geometry, in particular Brill-Noether theory, are required. Using these ingredients, we introduce a diagrammatic way to express cohomology jumps across the parameter space of each family of matter curves, which reflects a stratification of the F-theory complex structure moduli space in terms of the vector-like spectrum. Furthermore, these insights provide an algorithmically efficient way to estimate the possible cohomology dimensions across the entire parameter space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Gaussian process regression constrained by boundary value problems

We develop a framework for Gaussian processes regression constrained by boundary value problems. The framework may be applied to infer the solution of a well-posed boundary value problem with a known second-order differential operator and boundary conditions, but for which only scattered observations of the source term are available. Scattered observations of the solution may also be used in the regression. The framework combines co-kriging with the linear transformation of a Gaussian process together with the use of kernels given by spectral expansions in eigenfunctions of the boundary value problem. Furthermore, it benefits from a reduced-rank property of covariance matrices. We demonstrate that the resulting framework yields more accurate and stable solution inference as compared to physics-informed Gaussian process regression without boundary condition constraints.

42 ENGINEERING↗

NASA NTRS1994

From neural-based object recognition toward microelectronic eyes

Engineering neural network systems are best known for their abilities to adapt to the changing characteristics of the surrounding environment by adjusting system parameter values during the learning process. Rapid advances in analog current-mode design techniques have made possible the implementation of major neural network functions in custom VLSI chips. An electrically programmable analog synapse cell with large dynamic range can be realized in a compact silicon area. New designs of the synapse cells, neurons, and analog processor are presented. A synapse cell based on Gilbert multiplier structure can perform the linear multiplication for back-propagation networks. A double differential-pair synapse cell can perform the Gaussian function for radial-basis network. The synapse cells can be biased in the strong inversion region for high-speed operation or biased in the subthreshold region for low-power operation. The voltage gain of the sigmoid-function neurons is externally adjustable which greatly facilitates the search of optimal solutions in certain networks. Various building blocks can be intelligently connected to form useful industrial applications. Efficient data communication is a key system-level design issue for large-scale networks. We also present analog neural processors based on perceptron architecture and Hopfield network for communication applications. Biologically inspired neural networks have played an important role towards the creation of powerful intelligent machines. Accuracy, limitations, and prospects of analog current-mode design of the biologically inspired vision processing chips and cellular neural network chips are key design issues.

Sheu, Bing J.↗

DOE OSTI2021

Multi-channel Imager Algorithm (MIA): A novel cloud-top phase classification algorithm

The current Geostationary Operational Environmental Satellites (GOES-16 and 17) cloud-top phase classification algorithm is based primarily on empirical thresholds at multiple wavelengths that have varying absorption capabilities for water and ice. The performance of current GOES-16 cloud-top phase product largely depends on the accuracy of the selection of reflectance ratios. Here this study aims at presenting a novel cloud-top phase classification algorithm (the Multi-channel Imager Algorithm, MIA) that provides a more judicious selection of relationships between channels using a supervised K-mean clustering method on multi-channel Red-Green-Blue images. The K-mean clustering method works analogously to how human eyes separate different colors in a microphysical color rendering set of satellite images, which differentiates water, ice and unclassified thin clouds. For water phase, cloud-top temperature information is used to further distinguish supercooled water. To evaluate the performance of the MIA, an extensive comparison with Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP), Moderate Resolution Imaging Spectroradiometer, and current GOES-16 cloud-top phase products is conducted, using CALIOP as the benchmark. Compared to the current GOES-16 cloud-top phase product, MIA demonstrates a substantial improvement in phase classification, where hit rate increases from 69% to 76% over the Continental United States and 58% to 66% over the full disk domain.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Modeling atmospheric data and identifying dynamics Temporal data-driven modeling of air pollutants

Atmospheric modelling has recently experienced a surge with the advent of deep learning. Most of these models, however, predict concentrations of pollutants following a data-driven approach in which the physical laws that govern their behaviors and relationships remain hidden. Furthermore, with the aid of real-world air quality data collected hourly in different stations throughout Madrid, we present a case study using a series of data-driven techniques with the following goals: (1) Find systems of ordinary differential equations that model the concentration of pollutants and their changes over time; (2) assess the performance and limitations of our model using stability analysis; (3) reconstruct the time series of chemical pollutants not measured in certain stations using delay coordinate embedding results.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Deep energy-pressure regression for a thermodynamically consistent EOS model

Abstract In this paper, we aim to explore novel machine learning (ML) techniques to facilitate and accelerate the construction of universal equation-Of-State (EOS) models with a high accuracy while ensuring important thermodynamic consistency. When applying ML to fit a universal EOS model, there are two key requirements: (1) a high prediction accuracy to ensure precise estimation of relevant physics properties and (2) physical interpretability to support important physics-related downstream applications. We first identify a set of fundamental challenges from the accuracy perspective, including an extremely wide range of input/output space and highly sparse training data. We demonstrate that while a neural network (NN) model may fit the EOS data well, the black-box nature makes it difficult to provide physically interpretable results, leading to weak accountability of prediction results outside the training range and lack of guarantee to meet important thermodynamic consistency constraints. To this end, we propose a principled deep regression model that can be trained following a meta-learning style to predict the desired quantities with a high accuracy using scarce training data. We further introduce a uniquely designed kernel-based regularizer for accurate uncertainty quantification. An ensemble technique is leveraged to battle model overfitting with improved prediction stability. Auto-differentiation is conducted to verify that necessary thermodynamic consistency conditions are maintained. Our evaluation results show an excellent fit of the EOS table and the predicted values are ready to use for important physics-related tasks.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2000

Session on High Speed Civil Transport Design Capability Using MDO and High Performance Computing

Since the inception of CAS in 1992, NASA Langley has been conducting research into applying multidisciplinary optimization (MDO) and high performance computing toward reducing aircraft design cycle time. The focus of this research has been the development of a series of computational frameworks and associated applications that increased in capability, complexity, and performance over time. The culmination of this effort is an automated high-fidelity analysis capability for a high speed civil transport (HSCT) vehicle installed on a network of heterogeneous computers with a computational framework built using Common Object Request Broker Architecture (CORBA) and Java. The main focus of the research in the early years was the development of the Framework for Interdisciplinary Design Optimization (FIDO) and associated HSCT applications. While the FIDO effort was eventually halted, work continued on HSCT applications of ever increasing complexity. The current application, HSCT4.0, employs high fidelity CFD and FEM analysis codes. For each analysis cycle, the vehicle geometry and computational grids are updated using new values for design variables. Processes for aeroelastic trim, loads convergence, displacement transfer, stress and buckling, and performance have been developed. In all, a total of 70 processes are integrated in the analysis framework. Many of the key processes include automatic differentiation capabilities to provide sensitivity information that can be used in optimization. A software engineering process was developed to manage this large project. Defining the interactions among 70 processes turned out to be an enormous, but essential, task. A formal requirements document was prepared that defined data flow among processes and subprocesses. A design document was then developed that translated the requirements into actual software design. A validation program was defined and implemented to ensure that codes integrated into the framework produced the same results as their standalone counterparts. Finally, a Commercial Off the Shelf (COTS) configuration management system was used to organize the software development. A computational environment, CJOPT, based on the Common Object Request Broker Architecture, CORBA, and the Java programming language has been developed as a framework for multidisciplinary analysis and Optimization. The environment exploits the parallelisms inherent in the application and distributes the constituent disciplines on machines best suited to their needs. In CJOpt, a discipline code is "wrapped" as an object. An interface to the object identifies the functionality (services) provided by the discipline, defined in Interface Definition Language (IDL) and implemented using Java. The results of using the HSCT4.0 capability are described. A summary of lessons learned is also presented. The use of some of the processes, codes, and techniques by industry are highlighted. The application of the methodology developed in this research to other aircraft are described. Finally, we show how the experience gained is being applied to entirely new vehicles, such as the Reusable Space Transportation System. Additional information is contained in the original.

Rehder, Joe↗