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At least 793 records · Page 44

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NASA NTRS2011

Spectrally-Invariant Approximation Within Atmospheric Radiative Transfer

Certain algebraic combinations of single scattering albedo and solar radiation reflected from, or transmitted through, vegetation canopies do not vary with wavelength. These "spectrally invariant relationships" are the consequence of wavelength independence of the extinction coefficient and scattering phase function in vegetation. In general, this wavelength independence does not hold in the atmosphere, but in cloud~dominated atmospheres the total extinction and total scattering phase function vary only weakly with wavelength. This paper identifies the atmospheric conditions under which the spectrally invariant approximation can accurately describe the extinction. and scattering properties of cloudy atmospheres. The validity of the assumptions and the accuracy of the approximation are tested with ID radiative transfer calculations using publicly available radiative transfer models: Discrete Ordinate Radiative Transfer (DISORT) and Santa Barbara DISORT Atmospheric Radiative Transfer (SBDART). It is shown for cloudy atmospheres with cloud optical depth above 3, and for spectral intervals that exclude strong water vapor absorption, that the spectrally invariant relationships found in vegetation canopy radiative transfer are valid to better than 5%. The physics behind this phenomenon, its mathematical basis, and possible applications to remote sensing and climate are discussed.

Marshak, A.↗

NASA NTRS2011

Spectrally Invariant Approximation within Atmospheric Radiative Transfer

Certain algebraic combinations of single scattering albedo and solar radiation reflected from, or transmitted through, vegetation canopies do not vary with wavelength. These spectrally invariant relationships are the consequence of wavelength independence of the extinction coefficient and scattering phase function in vegetation. In general, this wavelength independence does not hold in the atmosphere, but in cloud-dominated atmospheres the total extinction and total scattering phase function vary only weakly with wavelength. This paper identifies the atmospheric conditions under which the spectrally invariant approximation can accurately describe the extinction and scattering properties of cloudy atmospheres. The validity of the assumptions and the accuracy of the approximation are tested with 1D radiative transfer calculations using publicly available radiative transfer models: Discrete Ordinate Radiative Transfer (DISORT) and Santa Barbara DISORT Atmospheric Radiative Transfer (SBDART). It is shown for cloudy atmospheres with cloud optical depth above 3, and for spectral intervals that exclude strong water vapor absorption, that the spectrally invariant relationships found in vegetation canopy radiative transfer are valid to better than 5%. The physics behind this phenomenon, its mathematical basis, and possible applications to remote sensing and climate are discussed.

Marshak, A.↗

NASA NTRS2010

Faster Antenna Noise Temperature Calculations Using a Novel Approximation Technique

In order to properly tradeoff the various antenna and feed configurations for the Square Kilometre Array (SKA) optical design it is necessary to evaluate the gain and noise temperature of each configuration over a wide range of frequencies. German Cortes describes the standard technique for computing antenna noise temperature. However, since the total antenna pattern needs to be calculated over the entire 4 pi steradians at a fine enough resolution to accurately include the main beam, the computer time required is enormous. Even at modest frequencies and reflector sizes (approximately 5 to 10 GHz for a 12 meter main reflector) the technique can take days on a single node of a supercomputer. Utilizing the standard technique to compute the noise temperature for all the cases required to properly characterize the SKA design is clearly not feasible. At least a 100 to 1000 speedup in the computation time is required. This paper describes an approximation technique that can accomplish this improvement with extremely small errors in noise temperature calculation of a few tenths of Kelvin.

Reflector Antennas↗

NASA NTRS1973

An Approximate Equation For The Multiply Scattered Contribution to A Lidar Return

An approximate equation is developed which describes the contribution of Nth order scattering to a lidar return. This development assumes a homogeneous scattering medium characterized by a scattering function sharply peaked in the forward direction and relatively insensitive to angle near the backscatter direction. The derivation includes the effects of finite divergence of the transmitted laser beam, finite receiver field of view, finite separation between the laser and the receiver and nonparallel system alignment. The derivation presented uses small angle approximations to reduce the time dependent multiple scattering problem to a time independent form which is then solved with techniques previously developed for multiple small angle nuclear scattering.

Eloranta, Edwin W.↗

NASA NTRS2017

The Quantum Approximation Optimization Algorithm for MaxCut: A Fermionic View

Farhi et al. recently proposed a class of quantum algorithms, the Quantum Approximate Optimization Algorithm (QAOA), for approximately solving combinatorial optimization problems. A level-p QAOA circuit consists of steps in which a classical Hamiltonian, derived from the cost function, is applied followed by a mixing Hamiltonian. The 2p times for which these two Hamiltonians are applied are the parameters of the algorithm. As p increases, however, the parameter search space grows quickly. The success of the QAOA approach will depend, in part, on finding effective parameter-setting strategies. Here, we analytically and numerically study parameter setting for QAOA applied to MAXCUT. For level-1 QAOA, we derive an analytical expression for a general graph. In principle, expressions for higher p could be derived, but the number of terms quickly becomes prohibitive. For a special case of MAXCUT, the Ring of Disagrees, or the 1D antiferromagnetic ring, we provide an analysis for arbitrarily high level. Using a Fermionic representation, the evolution of the system under QAOA translates into quantum optimal control of an ensemble of independent spins. This treatment enables us to obtain analytical expressions for the performance of QAOA for any p. It also greatly simplifies numerical search for the optimal values of the parameters. By exploring symmetries, we identify a lower-dimensional sub-manifold of interest; the search effort can be accordingly reduced. This analysis also explains an observed symmetry in the optimal parameter values. Further, we numerically investigate the parameter landscape and show that it is a simple one in the sense of having no local optima.

quantum algorithm↗

NASA NTRS2019

A Neural Network Correction to the Scalar Approximation in Radiative Transfer

The next generation of advanced high-resolution sensors in geostationary orbit will gather detailed information for studying the Earth system. There is an increasing desire to perform observing system simulation experiments (OSSEs) for new sensors during the development phase of the mission in order to better leverage information content from the new and existing sensors. Forward radiative transfer calculations that simulate the observing characteristics of a new instrument are the first step to an OSSE, and they are computationally intensive. The scalar approximation to the radiative transfer equation, a simplification of the vector representation, can save considerable computational cost, but produces errors in top of the atmosphere (TOA) radiance as large as 10% due to neglecting polarization effects. This article presents an artificial neural network technique to correct scalar TOA radiance over both land and ocean surfaces to within 1% of vector-calculated radiance. A neural network was trained on a database of scalar-vector TOA radiance differences at a large range of solar and viewing angles for several thousand realistic atmospheric vertical profiles that were sampled from a high resolution (7 km) global atmospheric transport model. The profiles include Rayleigh scattering and aerosol scattering and absorption. Training and validation of the neural network was demonstrated for two wavelengths in the ultraviolet-visible (US-Vis) spectral range (354 nm and 670 nm). The significant computational savings accrued from using a scalar approximation plus neural network correction approach to simulating TOA radiance will make feasible hyperspectral forward simulations of high-resolution sensors on geostationary satellites, such as TEMPO, GOES-R, GEMS, and SENTINEL-4.

TOA↗

NASA NTRS2019

Quantum Gate-Model Approaches to Exact and Approximate Optimization

Many of the most challenging computational problems arising in practical applications are tackled by heuristic algorithms which have not been rigorously proven to outperform other approaches but rather have been empirically demonstrated to be effective. While quantum heuristics have been proposed since the early days of quantum computing, true empirical evaluation of the real-world performance of these algorithms is only becoming possible now as increasingly powerful quantum gate-model devices continue to come online.In this talk, I will give an overview of the NASA QuAIL team's ongoing investigation into quantum gate-model heuristic algorithms for exact and approximate optimization. In particular, we consider the performance of the Quantum Approximate Optimization Algorithm on NP-hard optimization problems, and describe algorithm parameter setting strategies for real-world quantum hardware. We then show a generalization of QAOA circuits, the Quantum Alternating Operator Ansatz, especially suitable for low-resource implementations of QAOA for problems with hard (feasibility) constraints. The talk will conclude with a discussion of research challenges, particularly for optimization and sampling applications of QAOA, and the potential of more general quantum heuristics to give advantages over classical computers.

Hadfield, Stuart↗

NASA NTRS2020

Examining Biases in Diurnally-Integrated Shortwave Irradiances due to Two- and Four-Stream Approximations in Cloudy Atmosphere

Shortwave irradiance biases due to two- and four-stream approximations have been studied for the last couple of decades, but biases in estimating Earth’s radiation budget have not been examined in earlier studies. In order to quantify biases in diurnally-averaged irradiances, we integrate the two- and four-stream biases using realistic diurnal variations of cloud properties from Clouds and the Earth’s Radiant Energy System (CERES) synoptic (SYN) hourly product. Three approximations are examined in this study, delta-two-stream-Eddington (D2strEdd), delta- two-stream-quadrature (D2strQuad), and delta-four-stream-quadrature (D4strQuad). Irradiances computed by the Discrete Ordinates Radiative Transfer (DISORT) and Monte Carlo (MC) methods are used as references. The MC noises are further examined by comparing with DISORT results. When the biases are integrated with a one-day of solar zenith angle variation, regional biases of D2strEdd and D2strQuad reach up to 8 W/sq.m, while biases of D4strQuad reach up to 2 W/sq.m. When the biases are further averaged monthly or annually, regional biases of D2strEdd and D2strQuad can reach –1.5 W/sq.m in SW top-of-atmosphere (TOA) upward irradiances and +3 W/sq.m in surface downward irradiances. In contrast, regional biases of D4strQuad are within +0.9 for TOA irradiances and –1.2 W/sq.m for surface irradiances. Except for polar regions, monthly and annual global mean biases are similar, suggesting that the biases are nearly independent to season. Biases in SW heating rate profiles are up to –0.008 K/d for D2strEdd and –0.016 K/d for D2strQuad, while the biases of the D4strQuad method are negligible.

Ham, Seung-Hee↗

NASA NTRSDate not supplied

Optimal Control using Composite Bernstein Approximants

In this work, we present composite Bernstein polynomials as a direct collocation method for approximating optimal control problems. An analysis of the convergence properties of composite Bernstein polynomials is provided, and beneficial properties of composite Bernstein polynomials for the solution of optimal control problems are discussed. The efficacy of the proposed approximation method is demonstrated through a bang-bang example. Lastly, we apply this method to a motion planning problem, offering a practical solution that emphasizes the ability of this method to solve complex optimal control problems.

Gage MacLin↗

DOE OSTI2020

Approximate Inverse Chain Preconditioner: Iteration Count Case Study for Spectral Support Solvers

As the growing availability of computational power slows, there has been an increasing reliance on algorithmic advances. However, faster algorithms alone will not necessarily bridge the gap in allowing computational scientists to study problems at the edge of scientific discovery in the next several decades. Often, it is necessary to simplify or precondition solvers to accelerate the study of large systems of linear equations commonly seen in a number of scientific fields. Preconditioning a problem to increase efficiency is often seen as the best approach; yet, preconditioners which are fast, smart, and efficient do not always exist. Following the progress of [1], we present a new preconditioner for symmetric diagonally dominant (SDD) systems of linear equations. These systems are common in certain PDEs, network science, and supervised learning among others. Based on spectral support graph theory, this new preconditioner builds off of the work of [2], computing and applying a V-cycle chain of approximate inverse matrices. This preconditioner approach is both algebraic in nature as well as hierarchically-constrained depending on the condition number of the system to be solved. Due to its generation of an Approximate Inverse Chain of matrices, we refer to this as the AIC preconditioner. We further accelerate the AIC preconditioner by utilizing precomputations to simplify setup and multiplications in the con-text of an iterative Krylov-subspace solver. While these iterative solvers can greatly reduce solution time, the number of iterations can grow large quickly in the absence of good preconditioners. Initial results for the AIC preconditioner have shown a very large reduction in iteration counts for SDD systems as compared to standard preconditioners such as Incomplete Cholesky (ICC) and Multigrid (MG). We further show significant reduction in iteration counts against the more advanced Combinatorial Multigrid (CMG) preconditioner. We have further developed no-fill sparsification techniques to ensure that the computational cost of applying the AIC preconditioner does not grow prohibitively large as the depth of the V-cycle grows for systems with larger condition numbers. Our numerical results have shown that these sparsifiers maintain the sparsity structure of our system while also displaying significant reductions in iteration counts.1 2

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Approximate Inverse Chain Preconditioner: Iteration Count Case Study for Spectral Support Solvers

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Nonlinear Matrix Approximation with Radial Basis Function Components

We introduce and investigate matrix approximation by decomposition into a sum of radial basis function (RBF) components. An RBF component is a generalization of the outer product between a pair of vectors, where an RBF function replaces the scalar multiplication between individual vector elements. Even though the RBF functions are positive definite, the summation across components is not restricted to convex combinations and allows us to compute the decomposition for any real matrix that is not necessarily symmetric or positive definite. We formulate the problem of seeking such a decomposition as an optimization problem with a nonlinear and non-convex loss function. Several modern versions of the gradient descent method, including their scalable stochastic counterparts, are used to solve this problem. We provide extensive empirical evidence of the effectiveness of the RBF decomposition and that of the gradient-based fitting algorithm. While being conceptually motivated by singular value decomposition (SVD), our proposed nonlinear counterpart outperforms SVD by drastically reducing the memory required to approximate a data matrix with the same L2 error for a wide range of matrix types. For example, it leads to 2 to 6 times memory save for Gaussian noise, graph adjacency matrices, and kernel matrices. Moreover, this proximity-based decomposition can offer additional interpretability in applications that involve, e.g., capturing the inner low-dimensional structure of the data, retaining graph connectivity structure, and preserving the acutance of images.

Rebrova, Elizaveta↗

DOE OSTI2022

CFD-trained ANN Model for Approximating Near-occupant Condition in Real-time Simulations

The main drawback of Computational Fluid Dynamics (CFD) simulations has been the time and resource consuming nature which is not suitable for real-time applications. In this work, we first generated numerous CFD models of a given indoor space to obtain airspeed, temperature, and mean radiant temperature near an occupant as training data. Several artificial neural networks (ANN) models were trained using this CFD simulated data to approximate near real-time environmental conditions for a given occupant. This trained ANN model approach is a part of a real-time simulation of building operations using a combination of software and real hardware (HVAC equipment) approaches. The preliminary results suggest that the CFD- generated training data and the trained ANN model can accurately approximate such conditions in a real-time application, a method that has great potential in building simulation and building digital twin areas of research.

Zhang, Yun↗

DOE OSTI2021

MCML: Combining physical constraints with experimental data for a multi-purpose meta-generalized gradient approximation

The predictive power of density functional theory for materials properties can be improved without increasing the overall computational complexity by extending the generalized gradient approximation (GGA) for electronic exchange and correlation to density functionals depending on the electronic kinetic energy density in addition to the charge density and its gradient, resulting in a meta-GGA. Here, we propose an empirical meta-GGA model that is based both on physical constraints and on experimental and quantum chemistry reference data. Overall, the resulting optimized meta-GGA MCML yields improved surface and gas phase reaction energetics without sacrificing the accuracy of bulk property predictions of existing meta-GGA approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

A riming‐dependent parameterization of scattering by snowflakes using the self‐similar Rayleigh–Gans approximation

Abstract Riming is a key process of precipitation formation in ice‐containing clouds, but quantifying riming from observations is challenging, limiting our ability to evaluate the riming process in numerical weather models. One challenge for radar observations is that riming changes both the physical properties (mass, area cross‐section) and scattering properties of ice particles. These changes need to be implemented consistently as a function of riming in radar forward operators, which are required for retrievals and model evaluation in observation space. In this study, mass–size, cross‐section area–size, and backscattering cross‐section relations are developed as a function of the normalized rime mass for aggregates composed of various monomer types (columns, dendrites, needles, plates, and rosettes). The proposed framework allows us to simulate scattering properties of aggregated ice particles consistently as a function of riming in retrievals and radar forward operators. The parameterizations are developed from a large data set of simulated rimed aggregates of different sizes and monomer crystal types. The backscattering cross‐section parameterization (the “riming‐dependent parameterization”) is evaluated for radar frequencies of 35.6 and 94.0 GHz and is based on the Self‐Similar Rayleigh–Gans approximation (SSRGA), which is increasingly used to calculate microwave scattering of ice crystals and snowflakes. Compared with parameterizations from the literature that do not consider riming, the riming‐dependent parameterization leads to significantly smaller biases in terms of backscattering cross‐section. When using the particle masses and scattering properties of the individual particles simulated by the aggregation and riming model as a reference, the bias of our parameterization is below 1 dB when integrating over an exponential particle size distribution with sizes from 0.1–10 mm.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Approximate recoverability and relative entropy II: 2-positive channels of general von Neumann algebras

Abstract We generalize our results in paper I in this series to quantum channels between general von Neumann algebras, proving the approximate recoverability of states which undergo a small change in relative entropy through the channel. To this end, we derive a strengthened form of the quantum data processing inequality for the change in relative entropy of two states under a channel between two von Neumann algebras. Compared to the usual inequality, there is an explicit lower bound involving the fidelity between the original state and a recovery channel.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Karhunen–Loève deep learning method for surrogate modeling and approximate Bayesian parameter estimation

We evaluate the performance of the Karhunen-Loève Deep Neural Network (KL-DNN) framework for surrogate modeling and approximate Bayesian parameter estimation in partial differential equation models. In the surrogate model, the Karhunen-Loève (KL) expansions are used for the dimensionality reduction of the number of unknown parameters and variables, and a deep neural network is employed to relate the reduced space of parameters to that of the state variables. The KL-DNN surrogate model is used to formulate a maximum-a-posteriori-like least-squares problem, which is randomized to draw samples of the posterior distribution of the parameters. We test the proposed framework for a hypothetical unconfined aquifer via comparison with the forward MODFLOW and inverse PEST++ iterative ensemble smoother (IES) solutions as well as the state-of-the-art Fourier neural operator (FNO) and deep operator networks (DeepONets) operator learning surrogate models. Our results show that the KL-DNN surrogate model outperforms FNO and DeepONet for forward predictions. For solving inverse problems, the randomized algorithm provides the same or more accurate Bayesian predictions of the parameters than IES as evidenced by the higher log-predictive probability of both the estimated parameter field and the forecast hydraulic head. The posterior mean obtained from the randomized algorithm is closer to the reference parameter field than that obtained with FNO as the maximum a posteriori estimate.

Approximate Bayesian inference↗

DOE OSTI2020

Global error analysis of the Chebyshev rational approximation method

The Chebyshev rational approximation method (CRAM) has become a widely adopted method for solving nuclear depletion problems. Therefore, understanding CRAM’s accuracy is important for the safe operation of nuclear power plants. This article performs a global error analysis of CRAM and finds that, as the length of the time step approaches zero, the relative error measured between the exact and CRAM solutions at a fixed end time approaches one and infinity for even and odd orders, respectively; for intermediate time step sizes, a minimum in relative error is observed. Finally, we show that the reason for CRAM’s behavior is that the method is inconsistent. Two best practices for using CRAM, derived from these results, are: (1) use CRAM order 16 or higher, (2) if necessary, increase the CRAM order when multiphysics coupling requires smaller time steps.

97 MATHEMATICS AND COMPUTING↗