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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Robustness of deep learning algorithms in astronomy -- galaxy morphology studies

Deep learning models are being increasingly adopted in wide array of scientific domains, especially to handle high-dimensionality and volume of the scientific data. However, these models tend to be brittle due to their complexity and overparametrization, especially to the inadvertent adversarial perturbations that can appear due to common image processing such as compression or blurring that are often seen with real scientific data. It is crucial to understand this brittleness and develop models robust to these adversarial perturbations. To this end, we study the effect of observational noise from the exposure time, as well as the worst case scenario of a one-pixel attack as a proxy for compression or telescope errors on performance of ResNet18 trained to distinguish between galaxies of different morphologies in LSST mock data. We also explore how domain adaptation techniques can help improve model robustness in case of this type of naturally occurring attacks and help scientists build more trustworthy and stable models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

OpenET: Filling a Critical Data Gap in Water Management for the Western United States

The lack of consistent, accurate information on evapotranspiration (ET) and consumptive use of water by irrigated agriculture is one of the most important data gaps for water managers in the western United States (U.S.) and other arid agricultural regions globally. The ability to easily access information on ET is central to improving water budgets across the West, advancing the use of data-driven irrigation management strategies, and expanding incentive-driven conservation programs. Recent advances in remote sensing of ET have led to the development of multiple approaches for field-scale ET mapping that have been used for local and regional water resource management applications by U.S. state and federal agencies. The OpenET project is a community-driven effort that is building upon these advances to develop an operational system for generating and distributing ET data at a field scale using an ensemble of six well-established satellite-based approaches for mapping ET. Key objectives of OpenET include: Increasing access to remotely sensed ET data through a web-based data explorer and data services; supporting the use of ET data for a range of water resource management applications; and development of use cases and training resources for agricultural producers and water resource managers. Here we describe the OpenET framework, including the models used in the ensemble, the satellite, meteorological, and ancillary data inputs to the system, and the OpenET data visualization and access tools. We also summarize an extensive intercomparison and accuracy assessment conducted using ground measurements of ET from 139 flux tower sites instrumented with open path eddy covariance systems. Results calculated for 24 cropland sites from Phase I of the intercomparison and accuracy assessment demonstrate strong agreement between the satellite-driven ET models and the flux tower ET data. For the six models that have been evaluated to date (ALEXI/DisALEXI, eeMETRIC, geeSEBAL, PT-JPL, SIMS, and SSEBop) and the ensemble mean, the weighted average mean absolute error (MAE) values across all sites range from 13.6 to 21.6 mm/month at a monthly timestep, and 0.74 to 1.07 mm/day at a daily timestep. At seasonal time scales, for all but one of the models the weighted mean total ET is within ±8% of both the ensemble mean and the weighted mean total ET calculated from the flux tower data. Overall, the ensemble mean performs as well as any individual model across nearly all accuracy statistics for croplands, though some individual models may perform better for specific sites and regions. We conclude with three brief use cases to illustrate current applications and benefits of increased access to ET data, and discuss key lessons learned from the development of OpenET.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Reconstruction of the Density Power Spectrum from Quasar Spectra using Machine Learning

We describe a novel end-to-end approach using Machine Learning to reconstruct the power spectrum of cosmological density perturbations at high redshift from observed quasar spectra. State-of-the-art cosmological simulations of structure formation are used to generate a large synthetic dataset of line-of-sight absorption spectra paired with 1-dimensional fluid quantities along the same line-of-sight, such as the total density of matter and the density of neutral atomic hydrogen. With this dataset, we build a series of data-driven models to predict the power spectrum of total matter density. We are able to produce models which yield reconstruction to accuracy of about 1% for wavelengths $k \leq 2 h Mpc^{-1}$, while the error increases at larger $k$. We show the size of data sample required to reach a particular error rate, giving a sense of how much data is necessary to reach a desired accuracy. This work provides a foundation for developing methods to analyse very large upcoming datasets with the next-generation observational facilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Fast and accurate reduced-order modeling of a MOOSE-based additive manufacturing model with operator learning

One predominant challenge in additive manufacturing (AM) is to achieve specific material properties by manipulating manufacturing process parameters during the runtime. Such manipulation tends to increase the computational load imposed on existing simulation tools employed in AM. The goal of the present work is to construct a fast and accurate reduced-order model (ROM) for an AM model developed within the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, ultimately reducing the time/cost of AM control and optimization processes. Our adoption of the operator learning (OL) approach enabled us to learn a family of differential equations produced by altering process variables in the laser’s Gaussian point heat source. More specifically, we used the Fourier neural operator (FNO) and deep operator network (DeepONet) to develop ROMs for time-dependent responses. Furthermore, we benchmarked the performance of these OL methods against a conventional deep neural network (DNN)-based ROM. Ultimately, we found that OL methods offer comparable performance and, in terms of accuracy and generalizability, even outperform DNN at predicting scalar model responses. The DNN-based ROM afforded the fastest training time. Furthermore, all the ROMs were faster than the original MOOSE model yet still provided accurate predictions. FNO had a smaller mean prediction error than DeepONet, with a larger variance for time-dependent responses. Unlike DNN, both FNO and DeepONet were able to simulate time series data without the need for dimensionality reduction techniques. Finally, the present work can help facilitate the AM optimization process by enabling faster execution of simulation tools while still preserving evaluation accuracy.

36 MATERIALS SCIENCE↗
NASA NTRS1995

The AAMP5/AAMP-FV project

This presentation describes a project, formal verification of the microcode in the AAMP5 microprocessor, conducted to explore how formal techniques for specification and verification could be introduced into an industrial process. Sponsored by the Systems Validation Branch of NASA Langley and by Collins Commercial Avionics, a division of Rockwell International, it was conducted by Collins and the SRI International Computer Science Laboratory. The project consisted of specifying in the PVS language developed by SRI a portion of a Rockwell proprietary microprocessor, the AAMP5, at both the instruction set and register-transfer levels and using the PVS theorem prover to prove the microcode correct for a representative subset of instructions. While this presentation includes a brief technical overview, its emphasis is on the lessons learned in using PVS for an example of this size and the implications for using formal methods in an industrial setting. The central result of this project was to demonstrate the feasibility of formally specifying a commercial microprocessor and the use of mechanical proofs of correctness to verify microcode. This is particularly significant since the AAMP5 was not designed for formal verification, but to provide a more than three fold performance improvement, by pipelining instruction execution, while remaining object code compatible with the earlier AAMP2. As a consequence, the AAMP5 is one of the most complex microprocessors to which formal methods have been applied. Another key result was the discovery of both actual and seeded errors. Two actual microcode errors were discovered and corrected during development of the formal specification, illustrating the value of simply creating a precise specification. Two seeded errors were systematically uncovered while doing correctness proofs. One of these was an actual error that had been discovered after first fabrication but left in the microcode provided to SRI. The other error was designed to be unlikely to be detected by walkthroughs, testing, or simulation. Several other results emerged during the project, including the ease with which practicing engineers became comfortable with PVS, the need for libraries of general purpose theories, the usefulness of formal specification in revealing errors, the natural fit between formal specification and inspections, the difficulty of selecting the best style of specification for a new problem domain, the high level of assurance provided by proofs of correctness, and the need to engineer proof strategies for reuse.

Miller, Steven P.↗
DOE OSTI2024

Ferroelectric capacitors and field-effect transistors as in-memory computing elements for machine learning workloads

Abstract This study discusses the feasibility of Ferroelectric Capacitors (FeCaps) and Ferroelectric Field-Effect Transistors (FeFETs) as In-Memory Computing (IMC) elements to accelerate machine learning (ML) workloads. We conducted an exploration of device fabrication and proposed system-algorithm co-design to boost performance. A novel FeCap device, incorporating an interfacial layer (IL) and$$\text {Hf}_{0.5}\text {Zr}_{0.5}\text {O}_2$$ Hf 0.5 Zr 0.5 O 2 (HZO), ensures a reduction in operating voltage and enhances HZO scaling while being compatible with CMOS circuits. The IL also enriches ferroelectricity and retention properties. When integrated into crossbar arrays, FeCaps and FeFETs demonstrate their effectiveness as IMC components, eliminating sneak paths and enabling selector-less operation, leading to notable improvements in energy efficiency and area utilization. However, it is worth noting that limited capacitance ratios in FeCaps introduced errors in multiply-and-accumulate (MAC) computations. The proposed co-design approach helps in mitigating these errors and achieves high accuracy in classifying the CIFAR-10 dataset, elevating it from a baseline of 10% to 81.7%. FeFETs in crossbars, with a higher on-off ratio, outperform FeCaps, and our proposed charge-based sensing scheme achieved at least an order of magnitude reduction in power consumption, compared to prevalent current-based methods.

Science & Technology - Other Topics↗
DOE OSTI2025

Nonlinear Ensemble Filtering with Diffusion Models: Application to the Surface Quasigeostrophic Dynamics

The intersection between classical data assimilation methods and novel machine learning techniques has attracted significant interest in recent years. Here, we explore another promising solution in which diffusion models are used to formulate a robust nonlinear ensemble filter for sequential data assimilation. Unlike standard machine learning methods, the proposed ensemble score filter (EnSF) is completely training free and can efficiently generate a set of analysis ensemble members. Here, in this study, we apply the EnSF to a surface quasigeostrophic model and compare its performance against the popular local ensemble transform Kalman filter (LETKF), which makes Gaussian assumptions in the analysis step. Numerical tests demonstrate that EnSF maintains stable performance in the absence of localization and for a variety of experimental settings. We find that while LETKF maintains optimal performance in the case of linear observations of the entire state and a perfect model, EnSF shows improvements over LETKF when nonlinear observations are assimilated and the system is subject to unexpected model errors. A spectral decomposition of the analysis results in this nonlinear observation regime shows that the largest improvements over LETKF occur at large scales (small wavenumbers), where LETKF lacks sufficient ensemble spread. Overall, this initial application of EnSF to a geophysical model of intermediate complexity motivates further development of the algorithm for more realistic problems.

Artificial intelligence↗
DOE OSTI2021

SLOPE daily and 250 m gross primary productivity (GPP) for the CONUS, 2000-2019, Carbon Monitoring System (CMS)

The SatelLite Only Photosynthesis Estimation (SLOPE) GPP product is a daily, 250 m GPP dataset covering the Contiguous United States (CONUS) from 2000 to present with 1 day latency. Gross primary productivity (GPP) quantifies the amount of carbon dioxide (CO2) fixed by plants through photosynthesis. Although as a key quantity of terrestrial ecosystems, there is a lack of high-spatial-and-temporal-resolution, real-time, and observation-based GPP products. This product has been developed to address this critical gap, leveraging a number of MODIS land and atmosphere products. There are three distinct features of the SLOPE GPP production algorithm. (1) SLOPE couples machine learning models with MODIS atmosphere and land products to accurately estimate PAR. (2) SLOPE couples highly efficient and pragmatic gap-filling and filtering algorithms with surface reflectance acquired by both Terra and Aqua MODIS satellites to derive a soil-adjusted NIRv (SANIRv) dataset. (3) SLOPE couples a temporal pattern recognition approach with a long-term Crop Data Layer (CDL) product to predict dynamic C4 crop fraction. PAR, SANIRv and C4 fraction are used to drive a parsimonious model with only two slope parameters to estimate GPP along with a quantitative uncertainty on a per-pixel and daily basis. The slope GPP product has a R2 = 0.84 and a root-mean-square error (RMSE) of 1.65 gC m-2 d-1, evaluated against from 50 AmeriFlux eddy covariance sites (332 site-years). Archived data from 2000 to 2019 are publicly available at the NASA's Oak Ridge National Laboratory Distributed Active Archive Center (ORNL DAAC). Data from 2020 are available from the authors upon request. All data are projected in the standard MODIS Land Integerized Sinusoidal tile map projection. Each processing tile is in size of 4800 pixels by 4800 pixels, representing approximately 1200 km by 1200 km land region. In addition to the GPP product, SLOPE PAR, SANIRV, and C4 fraction, along with their uncertainties, are also released.

Jiang, Chongya↗
NASA NTRS2023

The Statistical Emulators of GGCMI Phase 2: Responses of Year-to-Year Variation of Crop Yield to CO 2 , Temperature, Water and Nitrogen Perturbations

Understanding the impact of climate change on year-to-year variation of crop yield is critical to global food stability and security. While crop model emulators are believed to be lightweight tools to replace the models, few emulators have been developed to capture such interannual variation of crop yield in response to climate variability. In this study, we developed a statistical emulator with a machine learning algorithm to reproduce the response of year-to-year variation of four crop yields to CO 2 (C), temperature (T), water (W), and nitrogen (N) perturbations defined in the Global Gridded Crop Model Intercomparison Project (GGCMI) phase 2. The emulators were able to explain more than 52 % of the variance of simulated yield and performed well in capturing the year-to-year variation of global average and gridded crop yield over current croplands in the baseline. With the changes in CO 2 –temperature–water–nitrogen (CTWN) perturbations, the emulators could reproduce the year-to-year variation of crop yield well over most current cropland. The variation of R and the mean absolute error was small under the single CTWN perturbations and dual-factor perturbations. These emulators thus provide statistical response surfaces of yield, including both its mean and interannual variability, to climate factors. They could facilitate spatiotemporal downscaling of crop model simulation, projecting the changes in crop yield variability in the future and serving as a lightweight tool for multi-model ensemble simulation. The emulators enhanced the flexibility of crop yield estimates and expanded the application of large-ensemble simulations of crop yield under climate change.

Climate change↗
DOE OSTI2025

Symplectic machine learning model for fast simulation of space-charge effects

Symplectic simulation of space-charge effects is crucial for the design and operation of high-intensity particle accelerators. Traditional methods for simulating these effects are often computationally expensive, resulting in significant overhead. In this work, we introduce a generative model based on a U-Net architecture within a generative adversarial network framework to efficiently simulate space-charge effects. The model is trained to predict the transverse multiparticle space-charge Hamiltonian, which can be physically computed using a gridless spectral method. The one-step symplectic transverse transfer map for the particles is then obtained by differentiating the predicted Hamiltonian. Benchmarking results demonstrate that this generative model achieves an order of magnitude higher computational efficiency compared to the spectral method, providing a highly efficient alternative for simulating space-charge effects with a large number of particles. By maintaining symplecticity, the model effectively preserves the phase-space structure and mitigates nonphysical errors in long-term simulations. This model has been integrated into jutrack, a novel autodifferentiable accelerator modeling code developed in the julia programming language.

Beam code development & simulation techniques↗
NASA NTRS2024

Spacecraft Modeling, Attitude Determination, and Control: Quaternion-Based Approach

Spacecraft attitude determination and control is an important part of a spacecraft to achieve its designed mission. As of today, many spacecrafts have been successfully launched, and most of them have performed well as they were designed. Many research papers have been published to address the attitude determination and control design problems. Several text books are available for students to learn the technology and for engineers to use as references. The most popular spacecraft models for attitude determination algorithms and control design methods are the Euler angle models and the quaternion models . The Euler angle models have been proved very efficient as the linearized models are controllable, and all standard linear control system design methods are directly applicable. The drawbacks related to the Euler angle methods are (a) the designs based on linearized models may not globally stabilize the original nonlinear spacecraft, i.e., the design may not work when the attitude of the spacecraft is far away from the point where the linearization is performed; (b) the models depend on the rotational sequences, this can be error prone if several teams work on the same project and they use different rotational sequences; (c) for any rotational sequence, there is a singular point where the model is not applicable; and (d) since most attitude determination methods use quaternion to represent the spacecraft attitude, there is a need to transform quaternion into Euler angles. On the other hand, for quaternion models, people have found controllers that can globally stabilize nonlinear spacecraft systems; the models do not depend on rotational sequences and they have no singular point; and the quaternion is provided by attitude determination system and ready to use. The main problem with the quaternion model based control system design is that the linearized quaternion model is not controllable. Therefore, most published design methods heavily rely on Lyapunov functions for the nonlinear spacecraft system. But there is no systematic way to obtain a desired Lyapunov functions. Moreover, the Lyapunov function based designs focus on the closed-loop system stability but pay little attention to the closed-loop system performance. In a series of papers, the author proposed some reduced quaternion models which lead to some controllable linearized spacecraft models. Therefore, all standard linear system theory can be directly applied to analyze and design the spacecraft control systems. We showed that, in some cases, the designed control system is not only optimal for the linearized system, but also globally stabilize the original nonlinear system . Clearly, the reduced quaternion models do not depend on rotational sequences. Due to the special structure of the linearized spacecraft model, some most important design methods, such as LQR design and robust pole assignment design are very simple, enjoy the analytical solutions for some problems, have direct connection to the performance measures, such as settling time, rising time , and percentage of overshoot . All these features are attractive for high quality control system designs. The idea mentioned above is then extended to more spacecraft control problems using specific actuators such as magnetic torque bars and control momentum gyroscopes. These types of actuators may not provide exactly desired torques. Most existing methods use different conversions to get approximate solutions, meaning that these actuators may generate a torque close to but not equal to the desired one. Using the reduced quaternion models that incorporate the actuators into the system model, the control inputs are not torques but the operational parameters. The main benefit of this idea is that the control actions are not approximate but accurate. As all actuators have their operational limit, design with input constraints are also considered in this book by using recently developed interior-point optimization techniques. This book grows up from my research on the spacecraft attitude determination and control design methods in more than a decade which is focused on using reduced quaternion models because of their merits stated above. The book provides all necessary background materials on orbital dynamics, rotations and quaternion, frequently used reference frames, transformations between reference frames, space environment and disturbance torques, ephemeris astronomical vector calculations and measurement instruments, spacecraft control actuators and their models, so that the readers will get a global picture and can apply all these information into the spacecraft system modeling, attitude determination, and spacecraft control system designs, which is the main purpose of this book. This book is different from existing books in that we focus on quaternion based spacecraft control system designs and we consider only attitude control system design related problems, from spacecraft modeling, to attitude determination and estimation, to control system design method selection, to control algorithm development, and to the simulation of the control system designs. Moreover, this book addresses different attitude control tasks in the spacecraft life cycle, including spacecraft maneuver, orbit raising, attitude control, and rendezvous. Finally, this book emphasizes the state space design methods rather than the classical frequency design methods.

Attitude determination and control↗
NASA NTRS2013

Lessons Learned from the AIRS Pre-Flight Radiometric Calibration

The Atmospheric Infrared Sounder (AIRS) instrument flies on the NASA Aqua satellite and measures the upwelling hyperspectral earth radiance in the spectral range of 3.7-15.4 micron with a nominal ground resolution at nadir of 13.5 km. The AIRS spectra are achieved using a temperature controlled grating spectrometer and HgCdTe infrared linear arrays providing 2378 channels with a nominal spectral resolution of approximately 1200. The AIRS pre-flight tests that impact the radiometric calibration include a full system radiometric response (linearity), polarization response, and response vs scan angle (RVS). We re-derive the AIRS instrument radiometric calibration coefficients from the pre-flight polarization measurements, the response vs scan (RVS) angle tests as well as the linearity tests, and a recent lunar roll test that allowed the AIRS to view the moon. The data and method for deriving the coefficients is discussed in detail and the resulting values compared amongst the different tests. Finally, we examine the residual errors in the reconstruction of the external calibrator blackbody radiances and the efficacy of a new radiometric uncertainty model. Results show the radiometric calibration of AIRS to be excellent and the radiometric uncertainty model does a reasonable job of characterizing the errors.

Sounder↗
DOE OSTI2022

Multi-variance replica exchange SGMCMC for inverse and forward problems via Bayesian PINN

Physics-informed neural network (PINN) has been successfully applied in solving a variety of nonlinear non-convex forward and inverse problems. However, the training is challenging because of the non-convex loss functions and the multiple optima in the Bayesian inverse problem. In this work, we propose a multi-variance replica exchange stochastic gradient Langevin dynamics method to tackle the challenge of the multiple local optima in the optimization and the challenge of the multiple modal posterior distribution in the inverse problem. Replica exchange methods are capable of escaping from the local traps and accelerating the convergence; two chains with different temperatures are designed where the low temperature chain aims for the local convergence, and the target of the high temperature chain is to travel globally and explore the whole loss function entropy landscape. However, it may not be efficient to solve mathematical inversion problems by using the vanilla replica method directly since the method doubles the computational cost in evaluating the forward solvers (likelihood functions) in the two chains. To address this issue, we propose to make different assumptions on the energy function estimation and this facilities one to use solvers of different fidelities in the likelihood function evaluation. More precisely, one can use a solver with low fidelity in the high temperature chain while using a solver with high fidelity in the low temperature chain. Our proposed method significantly lowers the computational cost in the high temperature chain, meanwhile preserving the accuracy and converging very fast. Here we give an unbiased estimate of the swapping rate and give an estimation of the discretization error of the scheme. To verify our idea, we design and solve four inverse problems which have multiple modes. The proposed method is also employed to train the Bayesian PINN to solve the forward and inverse problems; faster and more accurate convergence has been observed when compared to the stochastic gradient Langevin dynamics (SGLD) method and vanilla replica exchange methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Robust Medium-Voltage Distribution System State Estimation using Multi-Source Data

Due to the lack of sufficient online measurements for distribution system observability, pseudo-measurements from short-term load or distributed renewable energy resources (DERs) forecasting are used. However, the accuracy of them is low and thus significantly limits the performance of distribution system state estimation (DSSE). In this paper, a robust DSSE that integrates multi-source measurement data is proposed. Specifically, the historical low-voltage (LV) side smart meters are used to forecast load and DERs injections via the support vector machine (SVM) with optimally tuned parameters. By contrast, the online smart meters at LV side are utilized to derive equivalent power injections at the MV/LV transformers, yielding more accurate pseudo-measurements compared to the forecasted injections. Furthermore, to deal with bad data caused by communication loss, instrumental errors and cyber attacks, robust DSSE that relies on generalized maximum-likelihood (GM)-estimation criterion is developed. The projection statistics are developed to adjust the weights of each measurement, leading to better balance between pseudo- and real-time measurements. Numerical results conducted on modified IEEE 33-bus system with DG integration demonstrate the effectiveness and robustness of the proposed method.

distribution system state estimation↗
DOE OSTI2025

SOC Microstructural Property Estimator

This pre-trained ML model is a tool that uses basic compositional parameters for porous solid oxide cell (SOC) electrodes - the phase fractions and mean particle/pore diameters – as inputs and uses them to estimate additional electrochemical performance parameters: active (i.e., connected) TPB density, all tortuosity factors, and phase pair specific interfacial areas. The electrode is assumed to be composed of two solid phases and a pore phase. The property calculations are performed using neural network regression models trained on a large bank of synthetic electrode microstructural data that NETL has generated using the program DREAM3D (that bank is also hosted on EDX: https://edx.netl.doe.gov/dataset/soc-synthetic-microstructure-bank). This means the generated parameters are based on training from actual measured properties from 3D microstructures, not estimated from geometric simplifications. This tool was developed and is intended to replace percolation theory calculations in models that use hypothetical electrode properties. An example use case would be running SOC performance simulations across a parametric sweep of electrode designs (e.g., varying phase fractions and particle sizes) and assessing how it impacts the electrochemical performance of the SOC. Within the parameter space of the training data (statistics of that parameter space is provided in the readme file), this model achieves sub-5% mean absolute percent errors, an order of magnitude less error than percolation theory across the same parameter space. However, be aware that this tool was developed with parametric simulations in mind, and users are encouraged to assess accuracy for their own specific use case rather than taking accuracy metrics at face value. More info, including a usage guide, is in the included readme file. This tool should be cited with the DOI number provided.

Electrode Microstructure↗
DOE OSTI2021

Data-driven learning of Mori–Zwanzig operators for isotropic turbulence

Developing reduced-order models for turbulent flows, which contain dynamics over a wide range of scales, is an extremely challenging problem. In statistical mechanics, the Mori–Zwanzig (MZ) formalism provides a mathematically exact procedure for constructing reduced-order representations of high-dimensional dynamical systems, where the effects due to the unresolved dynamics are captured in the memory kernel and orthogonal dynamics. Turbulence models based on MZ formalism have been scarce due to the limited knowledge of the MZ operators, which originates from the difficulty in deriving MZ kernels for complex nonlinear dynamical systems. In this work, we apply a recently developed data-driven learning algorithm, which is based on Koopman's description of dynamical systems and Mori's linear projection operator, on a set of fully resolved isotropic turbulence datasets to extract the Mori–Zwanzig operators. With data augmentation using known turbulence symmetries, the extracted Markov term, memory kernel, and orthogonal dynamics are statistically converged and the generalized fluctuation–dissipation relation can be verified. The properties of the memory kernel and orthogonal dynamics, and their dependence on the choices of observables are investigated to address the modeling assumptions that are commonly used in MZ-based models. A series of numerical experiments are then constructed using the extracted kernels to evaluate the memory effects on prediction. The results show that the prediction errors are strongly affected by the choice of observables and can be further reduced by including the past history of the observables in the memory kernel.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Reconstructing Ly$α$ Fields from Low-resolution Hydrodynamical Simulations with Deep Learning

Hydrodynamical cosmological simulations are a powerful tool for accurately predicting the properties of the intergalactic medium (IGM) and for producing mock skies that can be compared against observational data. However, the need to resolve density fluctuation in the IGM puts a stringent requirement on the resolution of such simulations, which in turn limits the volumes that can be modeled, even on the most powerful supercomputers. In this work, we present a novel modeling method that combines physics-driven simulations with data-driven generative neural networks to produce outputs that are qualitatively and statistically close to the outputs of hydrodynamical simulations employing eight times higher resolution. We show that the Ly$α$ flux field, as well as the underlying hydrodynamic fields, have greatly improved statistical fidelity over a low-resolution simulation. Importantly, the design of our neural network allows for sampling multiple realizations from a given input, enabling us to quantify the model uncertainty. Using test data, we demonstrate that this model uncertainty correlates well with the true error of the Ly$α$ flux prediction. Ultimately, our approach allows for training on small simulation volumes and applying it to much larger ones, opening the door to producing accurate Ly$α$ mock skies in volumes of Hubble size, as will be probed with DESI and future spectroscopic sky surveys.

79 ASTRONOMY AND ASTROPHYSICS↗