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At least 1,009 records · Page 56

Randomized Projection for Rank-Revealing Matrix Factorizations and Low-Rank Approximations

Rank-revealing matrix decompositions provide an essential tool in spectral analysis of matrices, including the Singular Value Decomposition (SVD) and related low-rank approximation techniques. QR with Column Pivoting (QRCP) is usually suitable for these purposes, but it can be much slower than the unpivoted QR algorithm. For large matrices, the difference in performance is due to increased communication between the processor and slow memory, which QRCP needs in order to choose pivots during decomposition. Our main algorithm, Randomized QR with Column Pivoting (RQRCP), uses randomized projection to make pivot decisions from a much smaller sample matrix, which we can construct to reside in a faster level of memory than the original matrix. This technique may be understood as trading vastly reduced communication for a controlled increase in uncertainty during the decision process. Furthermore, for rank-revealing purposes, the selection mechanism in RQRCP produces results that are the same quality as the standard algorithm, but with performance near that of unpivoted QR (often an order of magnitude faster for large matrices). Additionally, we also propose two formulas that facilitate further performance improvements. The first efficiently updates sample matrices to avoid computing new randomized projections. The second avoids large trailing updates during the decomposition in truncated low-rank approximations. Our truncated version of RQRCP also provides a key initial step in our truncated SVD approximation, TUXV. These advances open up a new performance domain for large matrix factorizations that will support efficient problem-solving techniques for challenging applications in science, engineering, and data analysis.

97 MATHEMATICS AND COMPUTING↗

Second-order p-iterative solution of the Lambert/Gauss problem

An algorithm is presented for efficient p-iterative solution of the Lambert/Gauss orbit-determination problem using second-order Newton iteration. The algorithm is based on a universal transformation of Kepler's time-of-flight equation and approximate inverse solutions of this equation for short-way and long-way flight paths. The approximate solutions provide both good starting values for iteration and simplified computation of the second-order term in the iteration formula. Numerical results are presented which indicate that in many cases of practical significance (except those having collinear position vectors) the algorithm produces at least eight significant digits of accuracy with just two or three steps of iteration.

Boltz, F. W.↗

A Multi-Band Analytical Algorithm for Deriving Absorption and Backscattering Coefficients from Remote-Sensing Reflectance of Optically Deep Waters

A multi-band analytical (MBA) algorithm is developed to retrieve absorption and backscattering coefficients for optically deep waters, which can be applied to data from past and current satellite sensors, as well as data from hyperspectral sensors. This MBA algorithm applies a remote-sensing reflectance model derived from the Radiative Transfer Equation, and values of absorption and backscattering coefficients are analytically calculated from values of remote-sensing reflectance. There are only limited empirical relationships involved in the algorithm, which implies that this MBA algorithm could be applied to a wide dynamic range of waters. Applying the algorithm to a simulated non-"Case 1" data set, which has no relation to the development of the algorithm, the percentage error for the total absorption coefficient at 440 nm a (sub 440) is approximately 12% for a range of 0.012 - 2.1 per meter (approximately 6% for a (sub 440) less than approximately 0.3 per meter), while a traditional band-ratio approach returns a percentage error of approximately 30%. Applying it to a field data set ranging from 0.025 to 2.0 per meter, the result for a (sub 440) is very close to that using a full spectrum optimization technique (9.6% difference). Compared to the optimization approach, the MBA algorithm cuts the computation time dramatically with only a small sacrifice in accuracy, making it suitable for processing large data sets such as satellite images. Significant improvements over empirical algorithms have also been achieved in retrieving the optical properties of optically deep waters.

Lee, Zhong-Ping↗

Quantum-inspired tempering for ground state approximation using artificial neural networks

A large body of work has demonstrated that parameterized artificial neural networks (ANNs) can efficiently describe ground states of numerous interesting quantum many-body Hamiltonians. However, the standard variational algorithms used to update or train the ANN parameters can get trapped in local minima, especially for frustrated systems and even if the representation is sufficiently expressive. We propose a parallel tempering method that facilitates escape from such local minima. This methods involves training multiple ANNs independently, with each simulation governed by a Hamiltonian with a different "driver" strength, in analogy to quantum parallel tempering, and it incorporates an update step into the training that allows for the exchange of neighboring ANN configurations. We study instances from two classes of Hamiltonians to demonstrate the utility of our approach using Restricted Boltzmann Machines as our parameterized ANN. The first instance is based on a permutation-invariant Hamiltonian whose landscape stymies the standard training algorithm by drawing it increasingly to a false local minimum. The second instance is four hydrogen atoms arranged in a rectangle, which is an instance of the second quantized electronic structure Hamiltonian discretized using Gaussian basis functions. We study this problem in a minimal basis set, which exhibits false minima that can trap the standard variational algorithm despite the problem’s small size. We show that augmenting the training with quantum parallel tempering becomes useful to finding good approximations to the ground states of these problem instances.

Albash, Tameem↗

A Pseubo-Temporal Multi-Grid Relaxation Scheme for Solving the Parabolized Navier-Stokes Equations

A multi-grid, flux-difference-split, finite-volume code, VULCAN, is presented for solving the elliptic and parabolized form of the equations governing three-dimensional, turbulent, calorically perfect and non-equilibrium chemically reacting flows. The space marching algorithms developed to improve convergence rate and or reduce computational cost are emphasized. The algorithms presented are extensions to the class of implicit pseudo-time iterative, upwind space-marching schemes. A full approximate storage, full multi-grid scheme is also described which is used to accelerate the convergence of a Gauss-Seidel relaxation method. The multi-grid algorithm is shown to significantly improve convergence on high aspect ratio grids.

Morrison, J. H.↗

A Pseudo-Temporal Multi-Grid Relaxation Scheme for Solving the Parabolized Navier-Stokes Equations

A multi-grid, flux-difference-split, finite-volume code, VULCAN, is presented for solving the elliptic and parabolized form of the equations governing three-dimensional, turbulent, calorically perfect and non-equilibrium chemically reacting flows. The space marching algorithms developed to improve convergence rate and or reduce computational cost are emphasized. The algorithms presented are extensions to the class of implicit pseudo-time iterative, upwind space-marching schemes. A full approximate storage, full multi-grid scheme is also described which is used to accelerate the convergence of a Gauss-Seidel relaxation method. The multi-grid algorithm is shown to significantly improve convergence on high aspect ratio grids.

White, J. A.↗

Self‐Potential Tomography Preconditioned by Particle Swarm Optimization—Application to Monitoring Hyporheic Exchange in a Bedrock River

Abstract A self‐potential (SP) data‐inversion algorithm was developed and tested on an analytical model of electrical‐potential profile data attributed to single and multiple polarized electrical sources. The developed algorithm was then validated by an application to SP‐monitoring field data measured on the floodplain of East Fork Poplar Creek, Oak Ridge, Tennessee, to image electrical sources in areas conducive to preferential flow into the flood plain from the bedrock‐lined riverbed. The algorithm combined stochastic source‐localization by particle‐swarm‐optimization (PSO) of electrical sources characterized by simplified geometries with source tomography by regularized weighted least‐squares minimization of a quadratic objective function. Prior information was incorporated by preconditioning the tomography algorithm by PSO results. Variable percentages of random noise were added to analytical‐model data to evaluate the algorithm performance. Results indicated that true parameters of single‐source models were inverted and approximated with small residual error, whereas inversion of analytical‐model data representing multiple electrical sources accurately approximated the locations of the sources but miscalculated some parameters because of the non‐uniqueness of the inverse‐model solution. Source tomography applied to analytical model data during testing produced a spatially continuous parameter field that identified the locations of point‐scale synthetic dipole sources of electrical current flow with varying degrees of accuracy depending on the prior information incorporated into the tomography. When applied to SP‐monitoring field data, the algorithm imaged electrical sources within a known fault that intersects the bedrock riverbed and flood plain of East Fork Poplar Creek and depicted dynamic electrical conditions attributed to hyporheic exchange.

54 ENVIRONMENTAL SCIENCES↗

Validation and Demonstration of Control System Functional Capabilities within the IES Plug-and-Play Simulation Environment

The concept of an integrated energy system (IES) is meant to combine different energy technologies in synergistic ways to achieve a more secure and economical energy supply. The RAVEN-based HYBRID framework is used to find the optimal installed capacity and the optimal economical dispatch of each component of the IES. The new RAVEN plugin for grid and capacity optimization (HERON) only addresses the limits that affect the production variables and the corresponding rates of variation (explicit constraints). However, other variables are subject to constraints, and the associated limits should be accounted for (implicit constraints). In particular, for the power dispatch problem, the optimization algorithm takes into account the limits on the electrical power output and the corresponding hourly power variations but does not consider other constraints on process variables whose response affects the service life of the IES. This report describes a scheme that allows accounting for implicit constraints without increasing the size of the optimization problem. To obtain a more accurate approximation of the nonlinear dynamic behavior, a parametric version of the dynamic mode decomposition with control (DMDc) algorithm was developed to derive the state-space representation matrices of the IES components at different scheduling parameter. Thanks to this approach, a more accurate approximation of the system response can be obtained, the limits imposed by thermal mechanical implicit constraints can be translated into power dispatch limits, and the feedbacks to HERON power dispatcher can be provided. To assess the developed methodology, a power dispatching test case composed of three power generating and storage units (Balance of Plant, Secondary Energy Source, Thermal Energy Storage) was developed. The power output of each one of the three units was optimized to meet the imposed time-dependent load demand trajectory and to maximize the IES profitability by meeting both the explicit and implicit constraints.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Algorithm for fuel conservative horizontal capture trajectories

A real time algorithm for computing constant altitude fuel-conservative approach trajectories for aircraft is described. The characteristics of the trajectory computed were chosen to approximate the extremal trajectories obtained from the optimal control solution to the problem and showed a fuel difference of only 0.5 to 2 percent for the real time algorithm in favor of the extremals. The trajectories may start at any initial position, heading, and speed and end at any other final position, heading, and speed. They consist of straight lines and a series of circular arcs of varying radius to approximate constant bank-angle decelerating turns. Throttle control is maximum thrust, nominal thrust, or zero thrust. Bank-angle control is either zero or aproximately 30 deg.

Neuman, F.↗

Numerically exact generalized Green's function cluster expansions for electron-phonon problems

We generalize the family of approximate momentum average methods to formulate a numerically exact, convergent hierarchy of equations whose solution provides an efficient algorithm to compute the Green's function of a particle dressed by bosons suitable in the entire parameter regime. We use this approach to extract ground-state properties and spectral functions. Our approximation-free framework, dubbed the generalized Green's function cluster expansion (GGCE), allows access to exact numerical results in the extreme adiabatic limit, where many standard methods struggle or completely fail. We showcase the performance of the method, specializing three important models of charge-boson coupling in solids and molecular complexes: the molecular Holstein model, which describes coupling between charge density and local distortions, the Peierls model, which describes modulation of charge hopping due to intersite distortions, and a more complex Holstein + Peierls system with couplings to two different phonon modes, paradigmatic of charge-lattice interactions in organic crystals. Furthermore, the GGCE serves as an efficient approach that can be systematically extended to different physical scenarios, thus providing a tool to model the frequency dependence of dressed particles in realistic settings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Algorithm For Solution Of Navier-Stokes Equations

Advantages of two previous algorithms combined. Steady-state Navier-Stokes equations put in implicit finite-difference form solved by approximate Newton iteration. LU-SSOR scheme is new relaxation method combining advantages of LU factorization with Gauss-Seidel relaxation. Vectorizable LU-SSOR scheme, based on central differences, requires scalar diagonal inversions. Application of scheme to approximate Newton iteration of Navier-Stokes equations yields set of equations requiring no implicit smoothing on left side. Only adaptive, total-variation-diminishing, flux-limited dissipation terms added to right side. Algorithm used to predict laminar, turbulent, and hypersonic flows.

Yoon, Seokkwan↗

Planning fuel-conservative descents with or without time constraints using a small programmable calculator: Algorithm development and flight test results

A simplified flight-management descent algorithm, programmed on a small programmable calculator, was developed and flight tested. It was designed to aid the pilot in planning and executing a fuel-conservative descent to arrive at a metering fix at a time designated by the air traffic control system. The algorithm may also be used for planning fuel-conservative descents when time is not a consideration. The descent path was calculated for a constant Mach/airspeed schedule from linear approximations of airplane performance with considerations given for gross weight, wind, and nonstandard temperature effects. The flight-management descent algorithm is described. The results of flight tests flown with a T-39A (Sabreliner) airplane are presented.

Knox, C. E.↗

Numerical solution of a two-dimensional jet in a supersonic crossflow using an upwind relaxation scheme

A numerical scheme for predicting complex two-dimensional viscous flow fields is presented. The algorithm uses Roe's method for defining the inviscid fluxes and a line relaxation scheme to solve the resulting discrete approximation. The effects of turbulence are modelled using an algebraic eddy viscosity model. An adaptive grid scheme is employed to improve the resolution of complex flow field phenomena. The algorithm is applied to the solution of a sonic jet in a supersonic crossflow. Numerical results are compared with experimental data to validate the numerical approach.

Thompson, D. S.↗

Computation of Domain-Averaged Shortwave Irradiance by a One-Dimensional Algorithm Incorporating Correlations between Optical Thickness and Direct Incident Radiation

A one-dimensional radiative transfer algorithm that accounts for correlations between the optical thickness and the incident direct solar radiation is developed to compute the domain-averaged shortwave irradiance profile. It divides the direct irradiance into four components and treats the direct irradiance in two separate, clear and cloudy columns to account for the fact that clouds attenuate the direct irradiance more than clear-sky. The horizontal inhomogeneity of clouds in the cloudy column is treated by the gamma weighted two-stream approximation, which assumes that the optical thickness of clouds follows a gamma distribution. The algorithm inputs the cloud fraction, cumulative cloud fraction as a function of height, and a parameter expressing the shape of the probability density function of the cloud optical thickness distribution in addition to inputs required for a two-stream radiative transfer model. These cloud property inputs can be obtained using ground- and satellite-based instruments. Therefore, the algorithm can treat realistic cloud overlap features and horizontal inhomogeneity of clouds in a framework of one- dimensional radiative transfer. Heating rates computed by the algorithm using cloud fields generated by cloud resolving models agree with those computed with a Monte Carlo model. If optical properties in computational layers that divide a vertically extensive cloud are correlated, the irradiance profile computed by the algorithm further improves.

Kato, S.↗

A new solution to parameter adaptive estimation of random processes

This paper is concerned with the development of an adaptive state estimator that is capable of tracking switched linear plants that undergo rapid configuration changes. The particular adaptive estimator developed here is called the Sliding Window Detector/Estimator (SWDE) algorithm. Unlike previous algorithms, the SWDE algorithm is designed specifically for the switched-linear plant problem. It uses a joint detection/estimation approach to give a very close approximation to the unrealizable optimum switched-linear estimator. An extremely reliable and accurate estimator can be constructed by combining a modified Parameter Adaptive Estimation (PAE) algorithm with SWDE. The algorithm has been fully verified by extensive computer simulation, and the implementation advantages afforded by this method make it suitable for use in a wide variety of applications.

Zwicke, P. E.↗

Enhancing Gaussian Process Surrogates for Optimization and Posterior Approximation via Random Exploration

This paper proposes novel noise-free Bayesian optimization strategies that rely on a random exploration step to enhance the accuracy of Gaussian process surrogate models. The new algorithms retain the ease of implementation of the classical GP-UCB algorithm, but the additional random exploration step accelerates their convergence, nearly achieving the optimal convergence rate. Furthermore, to facilitate Bayesian inference with intractable likelihoods, we propose to utilize optimization iterates for maximum a posteriori estimation to build a Gaussian process surrogate model for the unnormalized log-posterior density. We provide bounds for the Hellinger distance between the true and the approximate posterior distributions in terms of the number of design points. We demonstrate the effectiveness of our Bayesian optimization algorithms in nonconvex benchmark objective functions, in a machine learning hyperparameter tuning problem, and in a black-box engineering design problem. The effectiveness of our posterior approximation approach is demonstrated in two Bayesian inference problems for parameters of dynamical systems.

Bayesian inference↗

The hidden geometry of particle collisions

We establish that many fundamental concepts and techniques in quantum field theory and collider physics can be naturally understood and unified through a simple new geometric language. The idea is to equip the space of collider events with a metric, from which other geometric objects can be rigorously defined. Our analysis is based on the energy mover’s distance, which quantifies the “work” required to rearrange one event into another. This metric, which operates purely at the level of observable energy flow information, allows for a clarified definition of infrared and collinear safety and related concepts. A number of well-known collider observables can be exactly cast as the minimum distance between an event and various manifolds in this space. Jet definitions, such as exclusive cone and sequential recombination algorithms, can be directly derived by finding the closest few-particle approximation to the event. Several area- and constituent-based pileup mitigation strategies are naturally expressed in this formalism as well. Finally, we lift our reasoning to develop a precise distance between theories, which are treated as collections of events weighted by cross sections. In all of these various cases, a better understanding of existing methods in our geometric language suggests interesting new ideas and generalizations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗