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At least 1,117 records · Page 62

Dimensionality Reduction with Variational Encoders Based on Subsystem Purification

Efficient methods for encoding and compression are likely to pave the way toward the problem of efficient trainability on higher-dimensional Hilbert spaces, overcoming issues of barren plateaus. Here, we propose an alternative approach to variational autoencoders to reduce the dimensionality of states represented in higher dimensional Hilbert spaces. To this end, we build a variational algorithm-based autoencoder circuit that takes as input a dataset and optimizes the parameters of a Parameterized Quantum Circuit (PQC) ansatz to produce an output state that can be represented as a tensor product of two subsystems by minimizing $Tr(ρ^2)$. The output of this circuit is passed through a series of controlled swap gates and measurements to output a state with half the number of qubits while retaining the features of the starting state in the same spirit as any dimension-reduction technique used in classical algorithms. The output obtained is used for supervised learning to guarantee the working of the encoding procedure thus developed. We make use of the Bars and Stripes (BAS) dataset for an 8 × 8 grid to create efficient encoding states and report a classification accuracy of 95% on the same. Thus, the demonstrated example provides proof for the working of the method in reducing states represented in large Hilbert spaces while maintaining the features required for any further machine learning algorithm that follows.

97 MATHEMATICS AND COMPUTING↗

Splitting of inviscid fluxes for real gases

Flux-vector and flux-difference splittings for the inviscid terms of the compressible flow equations are derived under the assumption of a general equation of state for a real gas in equilibrium. No necessary assumptions, approximations or auxiliary quantities are introduced. The formulas derived include several particular cases known for ideal gases and readily apply to curvilinear coordinates. Applications of the formulas in a TVD algorithm to one-dimensional shock-tube and nozzle problems show their quality and robustness.

Liou, Meng-Sing↗

Splitting of inviscid fluxes for real gases

Flux-vector and flux-difference splittings for the inviscid terms of the compressible flow equations are derived under the assumption of a general equation of state for a real gas in equilibrium. No necessary assumptions, approximations or auxiliary quantities are introduced. The formulas derived include several particular cases known for ideal gases and readily apply to curvilinear coordinates. Applications of the formulas in a TVD algorithm to one-dimensional shock-tube and nozzle problems show their quality and robustness.

Liou, Meng-Sing↗

Splitting of inviscid fluxes for real gases

Flux-vector and flux-difference splittings for the inviscid terms of the compressible flow equations are derived under the assumption of a general equation of state for a real gas in equilibrium. No necessary assumptions, approximations for auxiliary quantities are introduced. The formulas derived include several particular cases known for ideal gases and readily apply to curvilinear coordinates. Applications of the formulas in a TVD algorithm to one-dimensional shock-tube and nozzle problems show their quality and robustness.

Liou, Meng-Sing↗

Visualization, Extraction and Quantification of Discontinuities in Compressible Flows

Scientific visualizations of two-dimensional compressible flow of a gas with discontinuities are presented. The numerical analogue to experimental techniques such as schlieren imaging, shadowgraphs, and interferograms are discussed. Edge detection techniques are utilized to identify the discontinuities. In particular, the zero crossing of the Laplacian of a field (usually density) is recommended for extracting the discontinuities. An algorithm to extract and quantify the discontinuities is presented. To illustrate the methods developed in the report, the example chosen is that of an unsteady interaction of a shock wave with a contact discontinuity.

Samtaney, Ravi↗

Multiresolution Representation Using Biorthogonal Multiwavelets

We generalize Harten's multiresolution representation to biorthogonal multiwavelets. Several variants are considered. For example, a given array of discrete point values is transformed to point values and derivatives or point 'values and cell averages'. Compact Hermite interpolation is used in the decomposition and reconstruction algorithm. The resulting basis functions that are symmetric or skewsymmetric, compact, and smooth with optimal order accuracy. Harten's approach has several advantages: the multiresolution scheme is inherently discrete, non-periodic boundary conditions are easy to implement, and the representation can be extended to unstructured grids in bounded domains. We demonstrate the compression features of the new mutliwavelets by application to variable scale piecewise smooth functions with jump discontinuities typical of numerical solutions of nonlinear hyperbolic conservation laws.

Warming, Robert F.↗

A sweeping positivity-preserving high-order finite difference WENO scheme for Euler equations

We develop a simple, high-order, conservative and robust positivity-preserving sweeping procedure for the density and the nonlinear pressure function in the compressible Euler equations. Using the scaling limiter in Zhang and Shu (J Comput Phys 229:3091–3120, 2010), we obtain a non-trivial extension of the scalar sweeping technique in Liu et al. (J Sci Comput 73:1028–1071, 2017) for the positivity of pressure. The sweeping procedure developed in this paper is a post-processing technique, which can be applied to any concave functions of the conserved variables in hyperbolic conservation law systems. Thus, it has applications beyond the Euler equations. This procedure preserves positivity and conservation of physical quantities without destroying the accuracy of the underlying scheme. The algorithm works for general schemes including finite difference, finite volume and discontinuous Galerkin methods; however, in this paper we focus on finite difference weighted essentially non-oscillatory (WENO) methods. As a result, we provide numerical tests of the fifth-order finite difference WENO scheme to demonstrate the accuracy and robustness of the technique.

Compressible Euler equations↗

Social Media Account Resolution and Verification

In this SAND report, we discuss various authorship attribution techniques for social media platforms to identify separate accounts controlled by one user. We look at three main categories of techniques: stylometric, semantic, and temporal, and we test several algorithms in each category. We then combine these techniques to increase predictive power, and perform cross-platform account verification on Twitter and Stack Exchange datasets. Additionally, we briefly examine graphical techniques, and analyze the predictive power of unsupervised approaches. Finally, we apply our techniques to unbalanced data sets. Our experiments reveal that normalized compression distance shows great promise in analyzing social media.

97 MATHEMATICS AND COMPUTING↗

Quasi-three-dimensional laminar boundary-layer separations in supersonic flow

A numerical algorithm is presented for solving laminar, steady, supersonic interacting boundary-layer flows for quasi-three-dimensional configurations. The interaction problem is treated as a boundary-value problem and a salient feature of the scheme is the direct implementation of the downstream boundary condition. Solutions are presented for axisymmetric and swept (yawed) compression ramps for both adiabatic and heat transfer conditions over a Mach number range of 2-6. The results are in good agreement with experimental data and existing theories for axisymmetric cases. For the swept (yawed) configurations, lack of experimental data makes a direct comparison impossible, but the present solutions are found to be in qualitative agreement with earlier studies. In addition it is shown that the trends obtained here for the sweep effects are well predicted by a simple extension of the two-dimensional asymptotic theory.

Vatsa, V. N.↗

Numerical method for gas dynamics combining characteristic and conservation concepts

An efficient implicit numerical method that solves the compressible Navier-Stokes equations in arbitrary curvilinear coordinates by the finite-volume technique is presented. An intrinsically dissipative difference scheme and a fully implicit treatment of boundary conditions, based on characteristic and conservation concepts, are used to improve stability and accuracy. Efficiency is achieved by using a diagonal form of the implicit algorithm and spatially varying time-steps. Comparisons of various schemes and methods are presented for one- and two-dimensional flows, including transonic separated flow past a thick circular-arc airfoil in a channel. The new method is equal to or better than a version of MacCormack's hybrid method in accuracy and it converges to a steady state up to an order of magnitude faster.

Coakley, T. J.↗

Use of finite volume schemes for transition simulation

The use of finite-volume methods in the study of spatially and temporally evolving transitional flows over a flat plate is investigated. Schemes are developed with both central and upwind differencing. The compressible Navier-Stokes equations are solved with a Runge-Kutta time stepping scheme. Disturbances are determined using linear theory and superimposed at the inflow boundary. Time accurate integration is then used to allow temporal and spatial disturbance evolution. Characteristic-based boundary conditions are employed. The requirements of using finite-volume algorithms are studied in detail. Special emphasis is placed on difference schemes, grid resolution, and disturbance amplitudes. Moreover, comparisons are made with linear theory for small amplitude disturbances. Both subsonic and supersonic flows are considered, and it is shown that the locations of branch 1 and branch 2 of the neutral stability curve are well predicted, given sufficient resolution.

Fenno, Charles C., Jr.↗

Radiative Transfer and Retrievals in EOF Domain

The Infrared Atmospheric Sounding Interferometer (IASI) is a hyperspectral sensor with 8461 spectral channels and a nominal spectral resolution of 0.25 cm(sup -1). It is computationally intensive to perform radiative transfer calculations and inversions using all these channels. We will present a Principal Component-based Radiative Transfer Model (PCRTM) and a retrieval algorithm which perform all the necessary calculations in EOF domain. Since the EOFs are orthogonal to each other, only about 100 principal components are needed to represent the information content of the 8461 channels. The PCRTM provides the EOF coefficients and associated derivatives with respect to atmospheric and surface parameters needed by the inversion algorithm. The inversion algorithm is based on a non-linear Levenberg-Marquardt method with climatology covariance and a priori information as constraints. The retrieved parameters include atmospheric temperature, moisture and ozone profiles, cloud parameters, surface skin temperature, and surface emissivities. To make the retrieval system even more compact and stable. The atmospheric vertical profiles are compressed into the EOF space as well. The surface emissivities are also compressed into EOF space.

Liu, Xu↗

X-ray diffraction at the National Ignition Facility

We report details of an experimental platform implemented at the National Ignition Facility to obtain in situ powder diffraction data from solids dynamically compressed to extreme pressures. Thin samples are sandwiched between tamper layers and ramp compressed using a gradual increase in the drive-laser irradiance. Pressure history in the sample is determined using high-precision velocimetry measurements. Up to two independently timed pulses of x rays are produced at or near the time of peak pressure by laser illumination of thin metal foils. The quasi-monochromatic x-ray pulses have a mean wavelength selectable between 0.6 Å and 1.9 Å depending on the foil material. The diffracted signal is recorded on image plates with a typical 2 θ x-ray scattering angle uncertainty of about 0.2° and resolution of about 1°. Analytic expressions are reported for systematic corrections to 2 θ due to finite pinhole size and sample offset. A new variant of a nonlinear background subtraction algorithm is described, which has been used to observe diffraction lines at signal-to-background ratios as low as a few percent. Variations in system response over the detector area are compensated in order to obtain accurate line intensities; this system response calculation includes a new analytic approximation for image-plate sensitivity as a function of photon energy and incident angle. This experimental platform has been used up to 2 TPa (20 Mbar) to determine the crystal structure, measure the density, and evaluate the strain-induced texturing of a variety of compressed samples spanning periods 2–7 on the periodic table.

47 OTHER INSTRUMENTATION↗

A Preprocessing Tool for Enhanced Ion Mobility–Mass Spectrometry-Based Omics Workflows

The ability to improve the data quality of ion mobility–mass spectrometry (IM-MS) measurements is of great importance for enabling modular and efficient computational workflows and gaining better qualitative and quantitative insights from complex biological and environmental samples. We developed the PNNL PreProcessor, a standalone and user-friendly software housing various algorithmic implementations to generate new MS-files with enhanced signal quality and in the same instrument format. Different experimental approaches are supported for IM-MS based on Drift-Tube (DT) and Structures for Lossless Ion Manipulations (SLIM), including liquid chromatography (LC) and infusion analyses. The algorithms extend the dynamic range of the detection system, while reducing file sizes for faster and memory-efficient downstream processing. Specifically, multidimensional smoothing improves peak shapes of poorly defined low-abundance signals, and saturation repair reconstructs the intensity profile of high-abundance peaks from various analyte types. Further, other functionalities are data compression and interpolation, IM demultiplexing, noise filtering by low intensity threshold and spike removal, and exporting of acquisition metadata. Several advantages of the tool are illustrated, including an increase of 19.4% in lipid annotations and a two-times faster processing of LC-DT IM-MS data-independent acquisition spectra from a complex lipid extract of a standard human plasma sample. The software is freely available at https://omics.pnl.gov/software/pnnl-preprocessor.

59 BASIC BIOLOGICAL SCIENCES↗

Experimental quantum learning of a spectral decomposition

Currently available quantum hardware allows for small-scale implementations of quantum machine learning algorithms. Such experiments aid the search for applications of quantum computers by benchmarking the near-term feasibility of candidate algorithms. Here we demonstrate the quantum learning of a two-qubit unitary by a sequence of three parameterized quantum circuits containing a total of 21 variational parameters. Moreover, we variationally diagonalize the unitary to learn its spectral decomposition, i.e., its eigenvalues and eigenvectors. We illustrate how this can be used as a subroutine to compress the depth of dynamical quantum simulations. One can view our implementation as a demonstration of entanglement-enhanced machine learning, as only a single (entangled) training data pair is required to learn a 4 × 4 unitary matrix.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Glass breaking strength: The role of surface flaws and treatments

Although the intrinsic strength of silicon dioxide glass is of the order of 10 to the 6th power lb/sq in, the practical strength is roughly two orders of magnitude below this theoretical limit, and depends almost entirely on the surface condition of the glass, that is, the number and size of flaws and the residual surface compression (temper) in the glass. Glass parts always fail in tension when these flaws grow under sustained loading to some critical size. Research associated with glass encapsulated crystalline-Si photovoltaic (PV) modules has greatly expanded our knowledge of glass breaking strength and developed sizeable data base for commercially available glass types. A detailed design algorithm is developed for thickness sizing of rectangular glass plates subject to pressure loads. Additional studies examine the strength of glass under impact loading conditions such as that caused by hail. Although the fundamentals of glass breakage are directly applicable to thin film modules, the fracture strength of typical numerical glass must be replaced with data that reflect the high temperature tin oxide processing, laser scribing, and edge processing peculiar to thin film modules. The fundamentals of glass breakage applicable to thin film modules and preliminary fracture strength data for a variety of 1 ft square glass specimens representing preprocessed and post processed sheets from current amorphous-Si module manufacturers are presented.

Moore, D.↗

An Application of the Difference Potentials Method to Solving External Problems in CFD

Numerical solution of infinite-domain boundary-value problems requires some special techniques that would make the problem available for treatment on the computer. Indeed, the problem must be discretized in a way that the computer operates with only finite amount of information. Therefore, the original infinite-domain formulation must be altered and/or augmented so that on one hand the solution is not changed (or changed slightly) and on the other hand the finite discrete formulation becomes available. One widely used approach to constructing such discretizations consists of truncating the unbounded original domain and then setting the artificial boundary conditions (ABC's) at the newly formed external boundary. The role of the ABC's is to close the truncated problem and at the same time to ensure that the solution found inside the finite computational domain would be maximally close to (in the ideal case, exactly the same as) the corresponding fragment of the original infinite-domain solution. Let us emphasize that the proper treatment of artificial boundaries may have a profound impact on the overall quality and performance of numerical algorithms. The latter statement is corroborated by the numerous computational experiments and especially concerns the area of CFD, in which external problems present a wide class of practically important formulations. In this paper, we review some work that has been done over the recent years on constructing highly accurate nonlocal ABC's for calculation of compressible external flows. The approach is based on implementation of the generalized potentials and pseudodifferential boundary projection operators analogous to those proposed first by Calderon. The difference potentials method (DPM) by Ryaben'kii is used for the effective computation of the generalized potentials and projections. The resulting ABC's clearly outperform the existing methods from the standpoints of accuracy and robustness, in many cases noticeably speed up the multigrid convergence, and at the same time are quite comparable to other methods from the standpoints of geometric universality and simplicity of implementation.

Ryaben 'Kii, Victor S.↗

A review of control methodologies for vapor compression and absorption heat pumps; Examen des méthodes de régulation des pompes à chaleur à compression et à absorption de vapeur

Here this paper presents an overview of control systems for heat pumps, and more specifically, a critical review of control methodologies for thermally activated absorption heat pumps. The objectives of a control system are identified and discussed, including optimal system operation, ability for continuous turndown, and fast response to changes in the operating conditions. Key details of different aspects of research and development such as steady-state and transient thermodynamic models, control algorithm development, and implementation are presented. Advanced multivariable feedback controls are able to perform better than individual feedback control loops and conventional on/off controls. The knowledge of the transient response of heat pump systems through models or experimental data is crucial for advanced control system design and implementation. Recently, data-based methods have also gained interest, but they are difficult to generalize. A general outlook with limitations and the potential of different approaches, and recommendations for future work are provided.

42 ENGINEERING↗