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Results for “multiresolution analysis”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Wavelet multiresolution analysis of particle-laden turbulence

Direct numerical simulations of incompressible homogeneous-isotropic turbulence laden with a dilute suspension of inertial point particles are performed in conjunction with a wavelet multiresolution analysis of the results. The use of spatially localized wavelet basis functions enables the simultaneous consideration of physical and scale spaces in the spectral characterization of the flow field of the carrier phase and the concentration field of the dispersed phase. The multiresolution analysis of the dispersed phase provides statistical information about the spatial variabilities of a scale-dependent coarse-grained number density field and the local energy spectra of its fluctuations, characterizing the sensitivities of those quantities to variations in scale and Stokes number. In particular, the spatial variabilities of the wavelet energy spectrum of the particle concentration fluctuations are observed to be maximum in regimes where the particles preferentially concentrate. The results highlight the scale-dependent inhomogeneities of the structures in the concentration field generated by preferential concentration, and the existence of characteristic scales of interaction between the dispersed and carrier phases. Additionally, an interphase multiresolution analysis is performed that indicates the occurrence of a spatial anticorrelation between the enstrophy and kinetic-energy spectra of the carrier phase and the particle concentration at small scales in regimes where preferential concentration is important. In conclusion, this anticorrelation vanishes as the scale is increased and is largely suppressed when the preferential-concentration effect is negligible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1999

Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms

This paper presents a final report on Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms. The focus of this research is to derive and implement: 1) Wavelet based methodologies for the compression, transmission, decoding, and visualization of three dimensional finite element geometry and simulation data in a network environment; 2) methodologies for interactive algorithm monitoring and tracking in computational mechanics; and 3) Methodologies for interactive algorithm steering for the acceleration of large scale finite element simulations. Also included in this report are appendices describing the derivation of wavelet based Particle Image Velocity algorithms and reduced order input-output models for nonlinear systems by utilizing wavelet approximations.

Kurdila, Andrew J.↗
DOE OSTI2024

Range‐separated density functional theory using multiresolution analysis and quantum computing

Quantum computers are expected to outperform classical computers for specific problems in quantum chemistry. Such calculations remain expensive, but costs can be lowered through the partition of the molecular system. In the present study, partition was achieved with range-separated density functional theory (RS-DFT). The use of RS-DFT reduces both the basis set size and the active space size dependence of the ground state energy in comparison with the use of wave function theory (WFT) alone. The utilization of pair natural orbitals (PNOs) in place of canonical molecular orbitals (MOs) results in more compact qubit Hamiltonians. To test this strategy, a basis-set independent framework, known as multiresolution analysis (MRA), was employed to generate PNOs. Tests were conducted with the variational quantum eigensolver for a number of molecules. The results show that the proposed approach reduces the number of qubits needed to reach a target energy accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Benchmarking Correlation-Consistent Basis Sets for Frequency-Dependent Polarizabilities with Multiresolution Analysis

This paper presents the first converged frequency-dependent HF polarizability results for general molecules, on a set of 89 closed-shell atoms and molecules. The solver employs multiresolution analysis (MRA) in a multiwavelet basis to compute both ground and response states to a guaranteed precision, which are validated against independent numerical grid calculations on atoms and linear molecules. The MRA ground-state energies and response properties are used to evaluate results in correlation-consistent basis sets up to 5Z augmented with either single or double diffuse functions and core-polarization functions. Systematic trends are revealed through consideration of chemical composition as well as the use of machine learning to cluster convergence trends, the latter suggesting the possibility of learning and correcting basis-set error.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

FORCE Update 2024

The Framework for Optimization of Resources and Economics (FORCE) tool suite is the U.S. Department of Energy’s Nuclear Integrated Energy Systems (IES) Program flagship tool suite for technoeconomic IES analysis of IES. This tool suite is useful for analysis designed to evaluate and improve the technoeconomics of energy production systems, particularly for systems including nuclear technology. In this report, we document the development activity for the FORCE tool suite to extend its capabilities as performed during fiscal year 2024. In addition to reliability and accessibility, capability is one of the three standards guiding the development of the FORCE tool suite and the software codes that are its constituent parts. Extending the capabilities of the FORCE tool suite allows analysis both within the IES program as well as industry, university, and laboratory partners to perform analysis with more accuracy, insight, and impactful narrative. Four areas of capability development were the focus of activity this year: economic parameter uncertainty quantification, multiresolution analysis, components-to-optimization workflow automation, and statespace construction workflows for real-time optimal control. In economic parameter uncertainty quantification, the ability of HERON to capture risk due to scenarios (weather and energy demand uncertainty) was expanded to also include uncertainties in financial parameters such as capital cost or operation and maintenance costs. By including these sources of uncertainty, which are sometimes very large compared with scenario uncertainty, HERON is better able to capture the risk posed by investment in various IES technology. Because of this, analysts can also consider the reduction in risks that can be realized by choice of some technologies. In multiresolution analysis, development activity extended on work completed previously. In fiscal year 2023, methods for decomposing time series signals, such as demand, solar and wind availability, and price profiles, were analyzed and down-selected to those most effective at splitting signals into different resolutions. These resolutions allow considering the influence of different energy demand and supply behaviors across different time scales. For example, energy demand might be divided into seasonal, weekly, and hourly profiles. In fiscal year 2024, this preliminary work was extended and implemented within the Risk Analysis Virtual Environment (RAVEN) risk and uncertainty analysis platform, which is used throughout the FORCE framework. This development of the “multi-resolution time series analysis” (MR-TSA) module in RAVEN allows training synthetic history generators on complex time series. These synthetic history generators can then be used in HERON for generating scenarios that represent possible market and weather scenarios that can be analyzed on different time scales. We envision completing this work in the future, implementing multiresolution dispatch optimization strategies that can make the most beneficial use of these stratified time histories. In components-to-optimization workflow development, workflows for translating user inputs of components into algorithms for algebraic optimization were selected and implemented. Similar algorithms within the Holistic Energy Resource Optimization Network (HERON) were separated from the main code base of HERON and gathered with the components-to-optimization workflows in the new Dispatch Optimization Variable Engine (DOVE) software library. This modularization allows FORCE users to analyze dispatch optimization and energy system duty cycles independently of HERON, which previously was a burdensome task. Additionally, these dispatch optimization algorithms, set up in an independent library, can now be used across all software applications within FORCE, especially including the real-time optimal control software Optimization of Real-time Capacity Allocation (ORCA). Allowing FORCE software to share dispatch optimization algorithms within a single library allows for improved software maintenance and reliability. In statespace characterization workflow development, alternative workflows for optimizing dispatch with additional technical accuracy was the focus, particularly to improve the real-time optimization decision making in ORCA. Using algorithms and workflows initially developed for the Feasible Actuator Range Modifier (FARM), workflows for determining the statespace representation of IES were identified and demonstrated. The resulting dispatch optimization required a more robust optimization algorithm than that originally used in HERON (and moved to DOVE), which required adding an alternate workflow to DOVE that can more accurately match the behavior of physical systems using a partial differential equation representation. In conclusion, capability developments in the FORCE tool suite in fiscal year 2024 have improved the ability of the FORCE tool suite to perform

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2015

Survey and analysis of multiresolution methods for turbulence data

This paper compares the effectiveness of various multi-resolution geometric representation methods, such as B-spline, Daubechies, Coiflet and Dual-tree wavelets, curvelets and surfacelets, to capture the structure of fully developed turbulence using a truncated set of coefficients. The turbulence dataset is obtained from a Direct Numerical Simulation of buoyancy driven turbulence on a 512 3 mesh size, with an Atwood number, A = 0.05, and turbulent Reynolds number, Re t = 1800, and the methods are tested against quantities pertaining to both velocities and active scalar (density) fields and their derivatives, spectra, and the properties of constant density surfaces. The comparisons between the algorithms are given in terms of performance, accuracy, and compression properties. The results should provide useful information for multi-resolution analysis of turbulence, coherent feature extraction, compression for large datasets handling, as well as simulations algorithms based on multi-resolution methods. In conclusion, the final section provides recommendations for best decomposition algorithms based on several metrics related to computational efficiency and preservation of turbulence properties using a reduced set of coefficients.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Wavelets as basis functions to represent the coarse-graining potential in multiscale coarse graining approach

In this paper, we apply Multiresolution Analysis (MRA) to develop sparse but accurate representations for the Multiscale Coarse-Graining (MSCG) approximation to the many-body potential of mean force. We rigorously framed the MSCG method into MRA so that all the instruments of this theory become available together with a multitude of new basis functions, namely the wavelets. The coarse-grained (CG) force field is hierarchically decomposed at different resolution levels enabling to choose the most appropriate wavelet family for each physical interaction without requiring an a priori knowledge of the details localization. The representation of the CG potential in this new efficient orthonormal basis leads to a compression of the signal information in few large expansion coefficients. The multiresolution property of the wavelet transform allows to isolate and remove the noise from the CG force-field reconstruction by thresholding the basis function coefficients from each frequency band independently. We discuss the implementation of our wavelet-based MSCG approach and demonstrate its accuracy using two different condensed-phase systems, i.e. liquid water and methanol. Simulations of liquid argon have also been performed using a one-to-one mapping between atomistic and CG sites. The latter model allows to verify the accuracy of the method and to test different choices of wavelet families. Furthermore, the results of the computer simulations show that the efficiency and sparsity of the representation of the CG force field can be traced back to the mathematical properties of the chosen family of wavelets. This result is in agreement with what is known from the theory of multiresolution analysis of signals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Mesh-Sequenced Realizations for Evaluation of Subgrid-Scale Models for Turbulent Combustion

This paper develops a new approach for analysis of subgrid closures for turbulent combustion as modeled using direct quadrature (finite-rate chemistry) techniques. The approach, termed multiresolution analysis through mesh-sequenced realizations (MRA-MSR), conducts simultaneous, constrained large-eddy simulations on a set of hierarchically coarsened meshes. Furthermore, the availability of underlying fine-mesh (subgrid) data corresponding to coarse-mesh locations allows a clearer assessment of the effects of unresolved fluctuations on apparent reactivity. A key to MRA-MSR is the correlation of eddy structures at coarser mesh levels, which is facilitated by the transfer of filtered fine-mesh velocity information. A seven-mesh MRA-MSR hierarchy using three resolution levels is applied to one of the Sydney bluff-body stabilized methane–hydrogen flames. Analysis of the simultaneously evolved data at different resolution levels reveals several interesting trends. First, at high Damköhler numbers, there is clear evidence of attenuation of apparent reactivity due to the effects of unresolved fluctuations. Secondly, single-point, single-time filtered density functions of a normalized subgrid Damköhler number show a characteristic beta probability density function (PDF) form and display evidence of scale similarity. Interrogation of the MRA-MSR database also shows that the recently-proposed least-squares minimization (LSM) turbulence–chemistry interaction model can account for the observed diminishment in reactivity at high Damköhler numbers but cannot reduce scatter significantly. A new form of the LSM model, which makes use of the normalized subgrid Damköhler number beta PDF distribution, performs slightly better than the original model, illustrating the potential of MRA-MSR both in assessing existing closure concepts and in developing new ones.

42 ENGINEERING↗
NASA NTRS1991

Hierarchical multisensor analysis for robotic exploration

Robotic vehicles for lunar and Mars exploration will carry an array of complex instruments requiring real-time data interpretation and fusion. The system described here uses hierarchical multiresolution analysis of visible and multispectral images to extract information on mineral composition, texture and object shape. This information is used to characterize the site geology and choose interesting samples for acquisition. Neural networks are employed for many data analysis steps. A decision tree progressively integrates information from multiple instruments and performs goal-driven decision making. The system is designed to incorporate more instruments and data types as they become available.

Eberlein, Susan↗
DOE OSTI2014

Scale-adaptive tensor algebra for local many-body methods of electronic structure theory

While the formalism of multiresolution analysis (MRA), based on wavelets and adaptive integral representations of operators, is actively progressing in electronic structure theory (mostly on the independent-particle level and, recently, second-order perturbation theory), the concepts of multiresolution and adaptivity can also be utilized within the traditional formulation of correlated (many-particle) theory which is based on second quantization and the corresponding (generally nonorthogonal) tensor algebra. In this paper, we present a formalism called scale-adaptive tensor algebra (SATA) which exploits an adaptive representation of tensors of many-body operators via the local adjustment of the basis set quality. Given a series of locally supported fragment bases of a progressively lower quality, we formulate the explicit rules for tensor algebra operations dealing with adaptively resolved tensor operands. The formalism suggested is expected to enhance the applicability and reliability of local correlated many-body methods of electronic structure theory, especially those directly based on atomic orbitals (or any other localized basis functions).

Liakh, Dmitry I↗
DOE OSTI2022

pnnl/memgaze

MemGaze is a memory analysis toolset that combines high-resolution trace analysis and low overhead measurement, both with respect to time and space. It provides high-resolution by collecting world-level memory access traces, where the highest resolution supported is back-to-back sequences. It achieves low-overhead in space and time by leveraging sampling and various methods of hardware support for collecting traces. Its post-mortem trace processing provides multiresolution analysis for locations vs. operations; accesses vs. spatio-temporal reuse, and reuse (distance, rate, volume) vs. access patterns.

Central, PNNL Developer↗
NASA NTRS2006

X-Windows PVT Widget Class

The X-Windows Process Validation Table (PVT) Widget Class ( Class is used here in the object-oriented-programming sense of the word) was devised to simplify the task of implementing network registration services for Information Sharing Protocol (ISP) graphical-user-interface (GUI) computer programs. Heretofore, ISP PVT programming tasks have required many method calls to identify, query, and interpret the connections and messages exchanged between a client and a PVT server. Normally, programmers have utilized direct access to UNIX socket libraries to implement the PVT protocol queries, necessitating the use of many lines of source code to perform frequent tasks. Now, the X-Windows PVT Widget Class encapsulates ISP client server network registration management tasks within the framework of an X Windows widget. Use of the widget framework enables an X Windows GUI program to interact with PVT services in an abstract way and in the same manner as that of other graphical widgets, making it easier to program PVT clients. Wrapping the PVT services inside the widget framework enables a programmer to treat a PVT server interface as though it were a GUI. Moreover, an alternate subclass could implement another service in a widget of the same type. This program was written by Matthew R. Barry of United Space Alliance for Johnson Space Center. For further information, contact the Johnson Technology Transfer Office at (281) 483-3809. MSC-23582 Shuttle Data Center File- Processing Tool in Java A Java-language computer program has been written to facilitate mining of data in files in the Shuttle Data Center (SDC) archives. This program can be executed on a variety of workstations or via Web-browser programs. This program is partly similar to prior C-language programs used for the same purpose, while differing from those programs in that it exploits the platform-neutrality of Java in implementing several features that are important for analysis of large sets of time-series data. The program supports regular expression queries of SDC archive files, reads the files, interleaves the time-stamped samples according to a chosen output, then transforms the results into that format. A user can choose among a variety of output file formats that are useful for diverse purposes, including plotting, Markov modeling, multivariate density estimation, and wavelet multiresolution analysis, as well as for playback of data in support of simulation and testing.

Barry, Matthew R.↗
NASA NTRS2006

Shuttle Data Center File-Processing Tool in Java

A Java-language computer program has been written to facilitate mining of data in files in the Shuttle Data Center (SDC) archives. This program can be executed on a variety of workstations or via Web-browser programs. This program is partly similar to prior C-language programs used for the same purpose, while differing from those programs in that it exploits the platform-neutrality of Java in implementing several features that are important for analysis of large sets of time-series data. The program supports regular expression queries of SDC archive files, reads the files, interleaves the time-stamped samples according to a chosen output, then transforms the results into that format. A user can choose among a variety of output file formats that are useful for diverse purposes, including plotting, Markov modeling, multivariate density estimation, and wavelet multiresolution analysis, as well as for playback of data in support of simulation and testing.

Barry, Matthew R.↗
DOE OSTI2015

Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree–Fock and density functional theory via linear response

Using the fully numerical method for time-dependent Hartree–Fock and density functional theory (TD-HF/DFT) with the Tamm–Dancoff (TD) approximation we use a multiresolution analysis (MRA) approach to present our findings. From a reformulation with effective use of the density matrix operator, we obtain a general form of the HF/DFT linear response equation in the first quantization formalism. It can be readily rewritten as an integral equation with the bound-state Helmholtz (BSH) kernel for the Green's function. The MRA implementation of the resultant equation permits excited state calculations without virtual orbitals. Moreover, the integral equation is efficiently and adaptively solved using a numerical multiresolution solver with multiwavelet bases. Our implementation of the TD-HF/DFT methods is applied for calculating the excitation energies of H 2 , Be, N 2 , H 2 O, and C 2 H 4 molecules. The numerical errors of the calculated excitation energies converge in proportion to the residuals of the equation in the molecular orbitals and response functions. The energies of the excited states at a variety of length scales ranging from short-range valence excitations to long-range Rydberg-type ones are consistently accurate. It is shown that the multiresolution calculations yield the correct exponential asymptotic tails for the response functions, whereas those computed with Gaussian basis functions are too diffuse or decay too rapidly. Finally, we introduce a simple asymptotic correction to the local spin-density approximation (LSDA) so that in the TDDFT calculations, the excited states are correctly bound.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗