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Less is More: Bigger Data from Compressive Measurements

Compressive sensing approaches are beginning to take hold in (scanning) transmission electron microscopy (S/TEM) [1,2,3]. Compressive sensing is a mathematical theory about acquiring signals in a compressed form (measurements) and the probability of recovering the original signal by solving an inverse problem [4]. The inverse problem is underdetermined (more unknowns than measurements), so it is not obvious that recovery is possible. Compression is achieved by taking inner products of the signal with measurement weight vectors. Both Gaussian random weights and Bernoulli (0,1) random weights form a large class of measurement vectors for which recovery is possible. The measurements can also be designed through an optimization process. The key insight for electron microscopists is that compressive sensing can be used to increase acquisition speed and reduce dose. Building on work initially developed for optical cameras, this new paradigm will allow electron microscopists to solve more problems in the engineering and life sciences. We will be collecting orders of magnitude more data than previously possible. The reason that we will have more data is because we will have increased temporal/spatial/spectral sampling rates, and we will be able ability to interrogate larger classes of samples that were previously too beam sensitive to survive the experiment. For example consider an in-situ experiment that takes 1 minute. With traditional sensing, we might collect 5 images per second for a total of 300 images. With compressive sensing, each of those 300 images can be expanded into 10 more images, making the collection rate 50 images per second, and the decompressed data a total of 3000 images [3]. But, what are the implications, in terms of data, for this new methodology? Acquisition of compressed data will require downstream reconstruction to be useful. The reconstructed data will be much larger than traditional data, we will need space to store the reconstructions during analysis, and the computational demands for analysis will be higher. Moreover, there will be time costs associated with reconstruction. Deep learning [5] is an approach to address these problems. Deep learning is a hierarchical approach to find useful (for a particular task) representations of data. Each layer of the hierarchy is intended to represent higher levels of abstraction. For example, a deep model of faces might have sinusoids, edges and gradients in the first layer; eyes, noses, and mouths in the second layer, and faces in the third layer. There has been significant effort recently in deep learning algorithms for tasks beyond image classification such as compressive reconstruction [6] and image segmentation [7]. A drawback of deep learning, however, is that training the model requires large datasets and dedicated computational resources (to reduce training time to a few days). A second issue is that deep learning is not user-friendly and the meaning behind the results is usually not interpretable. We have shown it is possible to reduce the data set size while maintaining model quality [8] and developed interpretable models for image classification [9], but the demands are still significant. The key to addressing these problems is to NOT reconstruct the data. Instead, we should design computational sensors that give answers to specific problems. A simple version of this idea is compressive classification [10], where the goal is to classify signal type from a small number of compressed measurements. Classification is a much simpler problem than reconstruction, so 1) much fewer measurements will be necessary, and 2) these measurements will probably not be useful for reconstruction. Other simple examples of computational sensing include determining object volume or the number of objects present in the field of view [11].

Stevens, Andrew↗

Phase Imaging: A Compressive Sensing Approach

Since Wolfgang Pauli posed the question in 1933, whether the probability densities |Ψ(r)|² (real-space image) and |Ψ(q)|² (reciprocal space image) uniquely determine the wave function Ψ(r) [1], the so called Pauli Problem sparked numerous methods in all fields of microscopy [2, 3]. Reconstructing the complete wave function Ψ(r) = a(r)e-iφ(r) with the amplitude a(r) and the phase φ(r) from the recorded intensity enables the possibility to directly study the electric and magnetic properties of the sample through the phase. In transmission electron microscopy (TEM), electron holography is by far the most established method for phase reconstruction [4]. Requiring a high stability of the microscope, next to the installation of a biprism in the TEM, holography cannot be applied to any microscope straightforwardly. Recently, a phase retrieval approach was proposed using conventional TEM electron diffractive imaging (EDI). Using the SAD aperture as reciprocal-space constraint, a localized sample structure can be reconstructed from its diffraction pattern and a real-space image using the hybrid input-output algorithm [5]. We present an alternative approach using compressive phase-retrieval [6]. Our approach does not require a real-space image. Instead, random complimentary pairs of checkerboard masks are cut into a 200 nm Pt foil covering a conventional TEM aperture (cf. Figure 1). Used as SAD aperture, subsequently diffraction patterns are recorded from the same sample area. Hereby every mask blocks different parts of gold particles on a carbon support (cf. Figure 2). The compressive sensing problem has the following formulation. First, we note that the complex-valued reciprocal-space wave-function is the Fourier transform of the (also complex-valued) real-space wave-function, Ψ(q) = F[Ψ(r)], and subsequently the diffraction pattern image is given by |Ψ(q)|2 = |F[Ψ(r)]|2. We want to find Ψ(r) given a few differently coded diffraction pattern measurements yn = |F[HnΨ(r)]|2, where the matrices Hn encode the mask structure of the aperture. This is a nonlinear inverse problem, but has been shown to be solvable even in the underdetermined case [6]. Since each diffraction pattern yn contains diffraction information from selected regions of the same sample, the differences in each pattern contain local phase information, which can be combined to form a full estimate of the real-space wave-function[7]. References: [1] W. Pauli in “Die allgemeinen Prinzipien der Wellenmechanik“, ed. H Geiger and W Scheel, (Julius Springer, Berlin). [2] A. Tonomura, Rev. Mod. Phys. 59 (1987), p. 639. [3] J. Miao et al, Nature 400 (1999), p. 342. [4] H. Lichte et al, Annu. Rev. Mater. Res. 37 (2007), p. 539. [5] J. Yamasaki et al, Appl. Phys. Lett. 101 (2012), 234105. [6] P Schniter and S Rangan. Signal Proc., IEEE Trans. on. 64(4), (2015), pp. 1043. [7] Supported by the Chemical Imaging, Signature Discovery, and Analytics in Motion initiatives at PNNL. PNNL is operated by Battelle Memorial Inst. for the US DOE; contract DE-AC05-76RL01830.

Schneider, Sebastian↗

Multiresolution representation and numerical algorithms: A brief review

In this paper we review recent developments in techniques to represent data in terms of its local scale components. These techniques enable us to obtain data compression by eliminating scale-coefficients which are sufficiently small. This capability for data compression can be used to reduce the cost of many numerical solution algorithms by either applying it to the numerical solution operator in order to get an approximate sparse representation, or by applying it to the numerical solution itself in order to reduce the number of quantities that need to be computed.

Harten, Amiram↗

Uncertainty Propagation for Turbulent, Compressible Flow in a Quasi-1D Nozzle Using Stochastic Methods

This paper describes a fully spectral, Polynomial Chaos method for the propagation of uncertainty in numerical simulations of compressible, turbulent flow, as well as a novel stochastic collocation algorithm for the same application. The stochastic collocation method is key to the efficient use of stochastic methods on problems with complex nonlinearities, such as those associated with the turbulence model equations in compressible flow and for CFD schemes requiring solution of a Riemann problem. Both methods are applied to compressible flow in a quasi-one-dimensional nozzle. The stochastic collocation method is roughly an order of magnitude faster than the fully Galerkin Polynomial Chaos method on the inviscid problem.

Zang, Thomas A.↗

Autonomous Image Analysis for Future Mars Missions

To explore high priority landing sites and to prepare for eventual human exploration, future Mars missions will involve rovers capable of traversing tens of kilometers. However, the current process by which scientists interact with a rover does not scale to such distances. Specifically, numerous command cycles are required to complete even simple tasks, such as, pointing the spectrometer at a variety of nearby rocks. In addition, the time required by scientists to interpret image data before new commands can be given and the limited amount of data that can be downlinked during a given command cycle constrain rover mobility and achievement of science goals. Experience with rover tests on Earth supports these concerns. As a result, traverses to science sites as identified in orbital images would require numerous science command cycles over a period of many weeks, months or even years, perhaps exceeding rover design life and other constraints. Autonomous onboard science analysis can address these problems in two ways. First, it will allow the rover to preferentially transmit "interesting" images, defined as those likely to have higher science content. Second, the rover will be able to anticipate future commands. For example, a rover might autonomously acquire and return spectra of "interesting" rocks along with a high-resolution image of those rocks in addition to returning the context images in which they were detected. Such approaches, coupled with appropriate navigational software, help to address both the data volume and command cycle bottlenecks that limit both rover mobility and science yield. We are developing fast, autonomous algorithms to enable such intelligent on-board decision making by spacecraft. Autonomous algorithms developed to date have the ability to identify rocks and layers in a scene, locate the horizon, and compress multi-spectral image data. We are currently investigating the possibility of reconstructing a 3D surface from a sequence of images acquired by a robotic arm camera. This would then allow the return of a single completely in focus image constructed only from those portions of individual images that lie within the camera's depth of field. Output from these algorithms could be used to autonomously obtain rock spectra, determine which images should be transmitted to the ground, or to aid in image compression. We will discuss these algorithms and their performance during a recent rover field test.

Gulick, V. C.↗

Modeling of compressible turbulent shear flows

Despite all the recent developments in computer technologies and numerical algorithms, full numerical simulations of turbulent flows are feasible only at moderate Reynolds numbers and for flows with relatively simple geometries. The main goal of this research is to develop new second order moment closures for compressible turbulence. It has been shown that the models based on the extension of those developed originally for incompressible flows fail to adequately predict turbulent flows at high Mach numbers. In this attempt, the compressibility effects are explicitly considered. A successful development of these models that directly takes into account the compressibility effects may have a range of technological implications in the design of supersonic and hypersonic vehicles.

Liou, William W.↗

System considerations for efficient communication and storage of MSTI image data

The Ballistic Missile Defense Organization has been developing the capability to evaluate one or more high-rate sensor/hardware combinations by incorporating them as payloads on a series of Miniature Seeker Technology Insertion (MSTI) flights. This publication represents the final report of a 1993 study to analyze the potential impact f data compression and of related communication system technologies on post-MSTI 3 flights. Lossless compression is considered alone and in conjunction with various spatial editing modes. Additionally, JPEG and Fractal algorithms are examined in order to bound the potential gains from the use of lossy compression. but lossless compression is clearly shown to better fit the goals of the MSTI investigations. Lossless compression factors of between 2:1 and 6:1 would provide significant benefits to both on-board mass memory and the downlink. for on-board mass memory, the savings could range from $5 million to $9 million. Such benefits should be possible by direct application of recently developed NASA VLSI microcircuits. It is shown that further downlink enhancements of 2:1 to 3:1 should be feasible thorough use of practical modifications to the existing modulation system and incorporation of Reed-Solomon channel coding. The latter enhancement could also be achieved by applying recently developed VLSI microcircuits.

Rice, Robert F.↗

Fast computational scheme of image compression for 32-bit microprocessors

This paper presents a new computational scheme of image compression based on the discrete cosine transform (DCT), underlying JPEG and MPEG International Standards. The algorithm for the 2-d DCT computation uses integer operations (register shifts and additions / subtractions only); its computational complexity is about 8 additions per image pixel. As a meaningful example of an on-board image compression application we consider the software implementation of the algorithm for the Mars Rover (Marsokhod, in Russian) imaging system being developed as a part of Mars-96 International Space Project. It's shown that fast software solution for 32-bit microprocessors may compete with the DCT-based image compression hardware.

Kasperovich, Leonid↗

Compressing Hamiltonians with ab initio downfolding for simulating strongly-correlated materials on quantum computers

The accurate first-principles description of strongly correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving compressed many-body Hamiltonians that maintain the essential physics of strongly correlated materials. The solution of these material-specific models is still exponentially difficult to generate on classical computers, but quantum algorithms allow for a significant speed-up in obtaining the ground states of these compressed Hamiltonians. Here, we demonstrate that using quantum algorithms to obtain the properties of downfolded Hamiltonians can indeed yield high-fidelity solutions. By combining ab initio downfolding and variational quantum eigensolvers, we correctly predict the antiferromagnetic state of one-dimensional cuprate Ca 2 Cu O 3 , the excitonic ground state of monolayer W Te 2 , and the charge-ordered state of correlated metal Sr VO 3 . Numerical simulations using a classical tensor network implementation of variational quantum eigensolvers allow us to simulate large models with up to 54 qubits and encompassing up to four bands in the correlated subspace, which is indicative of the complexity that our framework can address. Through these methods we demonstrate the potential of classical preoptimization and downfolding techniques for enabling efficient materials simulation using quantum algorithms.

Alvertis, Antonios M. [NASA, Ames; LBNL, Berkeley]↗

Performance of a low data rate speech codec for land-mobile satellite communications

In an effort to foster the development of new technologies for the emerging land mobile satellite communications services, JPL funded two development contracts in 1984: one to the Univ. of Calif., Santa Barbara and the other to the Georgia Inst. of Technology, to develop algorithms and real time hardware for near toll quality speech compression at 4800 bits per second. Both universities have developed and delivered speech codecs to JPL, and the UCSB codec was extensively tested by JPL in a variety of experimental setups. The basic UCSB speech codec algorithms and the test results of the various experiments performed with this codec are presented.

Gersho, Allen↗

High performance compression of science data

In the future, NASA expects to gather over a tera-byte per day of data requiring space for levels of archival storage. Data compression will be a key component in systems that store this data (e.g., optical disk and tape) as well as in communications systems (both between space and Earth and between scientific locations on Earth). We propose to develop algorithms that can be a basis for software and hardware systems that compress a wide variety of scientific data with different criteria for fidelity/bandwidth tradeoffs. The algorithmic approaches we consider are specially targeted for parallel computation where data rates of over 1 billion bits per second are achievable with current technology.

Storer, James A.↗

High performance compression of science data

In the future, NASA expects to gather over a tera-byte per day of data requiring space for levels of archival storage. Data compression will be a key component in systems that store this data (e.g., optical disk and tape) as well as in communications systems (both between space and Earth and between scientific locations on Earth). We propose to develop algorithms that can be a basis for software and hardware systems that compress a wide variety of scientific data with different criteria for fidelity/bandwidth tradeoffs. The algorithmic approaches we consider are specially targeted for parallel computation where data rates of over 1 billion bits per second are achievable with current technology.

Storer, James A.↗

Finite element solution of turbulent and reacting compressible three-dimensional flows

Results of detailed numerical evaluation of turbulent and reacting three-dimensional compressible flows are presented. These solutions were obtained using a finite element algorithm to solve the system of explicitly non-linear partial differential equations governing three-dimensional, confined unidirectional turbulent flow of a compressible, reacting fluid. Assessments are made of solution accuracy and convergence, including detailed comparisons to experimental data.

Baker, A. J.↗

DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure

The study of organic molecular crystals under high pressure provides fundamental insight into crystal packing distortions and reveals mechanisms of phase transitions and the crystallization of polymorphs. These solid-state transformations can be monitored directly by analyzing electron charge densities that are experimentally obtained at high pressure. However, restricting the analysis to the featureless electron density does not reveal the chemical bonding nature and the existence of intermolecular interactions. This shortcoming can be resolved by the use of the DORI (density overlap region indicator) descriptor, which is capable of simultaneously detecting both covalent patterns and noncovalent interactions from electron density and its derivatives. Using the biscarbonyl[14]annulene crystal under pressure as an example, we demonstrate how DORI can be exploited on experimental electron densities to reveal and monitor changes in electronic structure patterns resulting from molecular compression. A novel approach based on a flood-fill-type algorithm is proposed for analyzing the topology of the DORI isosurface. This approach avoids the arbitrary selection of DORI isovalues and provides an intuitive way to assess how compression packing affects covalent bonding in organic solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Application of a finite element algorithm for high speed viscous flows using structured and unstructured meshes

A higher-order streamline upwinding Petrov-Galerkin finite element method is employed for high speed viscous flow analysis using structured and unstructured meshes. For a Mach 8.03 shock interference problem, successive mesh adaptation was performed using an adaptive remeshing method. Results from the finite element algorithm compare well with both experimental data and results from an upwind cell-centered method. Finite element results for a Mach 14.1 flow over a 24 degree compression corner compare well with experimental data and two other numerical algorithms for both structured and unstructured meshes.

Vemaganti, Gururaja R.↗

Flux-corrected transport techniques for transient calculations of strongly shocked flows

New flux-corrected transport algorithms are described for solving generalized continuity equations. These techniques were developed by requiring that the finite difference formulas used ensure positivity for an initially positive convected quantity. Thus FCT is particularly valuable for fluid-like problems with strong gradients or shocks. Repeated application of the same subroutine to mass, momentum, and energy conservation equations gives a simple solution of the coupled time-dependent equations of ideal compressible fluid dynamics without introducing an artificial viscosity. FCT algorithms span Eulerian, sliding-rezone, and Lagrangian finite difference grids in several coordinate systems. The latest FCT techniques are fully vectorized for parallel/pipeline processing.

Boris, J. P.↗

A comparative study of SAR data compression schemes

The amount of data collected from spaceborne remote sensing has substantially increased in the last years. During same time period, the ability to store or transmit data has not increased as quickly. At this time, there is a growing interest in developing compression schemes that could provide both higher compression ratios and lower encoding/decoding errors. In the case of the spaceborne Synthetic Aperture Radar (SAR) earth observation system developed by the French Space Agency (CNES), the volume of data to be processed will exceed both the on-board storage capacities and the telecommunication link. The objective of this paper is twofold: to present various compression schemes adapted to SAR data; and to define a set of evaluation criteria and compare the algorithms on SAR data. In this paper, we review two classical methods of SAR data compression and propose novel approaches based on Fourier Transforms and spectrum coding.

Lambert-Nebout, C.↗

TensorID v1.0

This Python software package includes new and efficient algorithms for satellite and core interpolative decomposition of tensor data. In general, these algorithms target high-dimensional data reduction and compression. The software is purely numerical and can be applied by others to many important sources of tensor data generated by computation or experiment.

Zhang, Yifan [Lawrence Berkeley National Laborator↗