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At least 721 records · Page 40

On the Impact of Widening Vector Registers on Sequence Alignment

Vector extensions, such as SSE, have been part of the x86 since the 1990s, with applications in graphics, signal processing, and scientific applications. Although many algorithms and applications can naturally benefit from automatic vectorization techniques, there are still many that are difficult to vectorize due to their dependence on irregular data structures, dense branch operations, or data dependencies. Sequence alignment, one of the most widely used operations in bioinformatics workflows, has a computational footprint that features complex data dependencies. In this paper, we demonstrate that the trend of widening vector registers adversely affects the state-of-the-art sequence alignment algorithm based on striped data layouts. We present a practically efficient SIMD implementation of a parallel scan based sequence alignment algorithm that can better exploit wider SIMD units. We conduct comprehensive workload and use case analyses to characterize the relative behavior of the striped and scan approaches and identify the best choice of algorithm based on input length and SIMD width.

Needleman-Wunsch↗

ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome

Vaccines derived from chimpanzee adenovirus Y25 (ChAdOx1), human adenovirus type 26 (HAdV-D26), and human adenovirus type 5 (HAdV-C5) are critical in combatting the severe acute respiratory coronavirus 2 (SARS-CoV-2) pandemic. As part of the largest vaccination campaign in history, ultrarare side effects not seen in phase 3 trials, including thrombosis with thrombocytopenia syndrome (TTS), a rare condition resembling heparin-induced thrombocytopenia (HIT), have been observed. This study demonstrates that all three adenoviruses deployed as vaccination vectors versus SARS-CoV-2 bind to platelet factor 4 (PF4), a protein implicated in the pathogenesis of HIT. We have determined the structure of the ChAdOx1 viral vector and used it in state-of-the-art computational simulations to demonstrate an electrostatic interaction mechanism with PF4, which was confirmed experimentally by surface plasmon resonance. These data confirm that PF4 is capable of forming stable complexes with clinically relevant adenoviruses, an important step in unraveling the mechanisms underlying TTS.

60 APPLIED LIFE SCIENCES↗

Search for the electroweak production of supersymmetric particles in s =8 TeV p p collisions with the ATLAS detector

The ATLAS experiment has performed extensive searches for the electroweak production of charginos, neutralinos and staus. This article summarizes and extends the search for electroweak supersymmetry with new analyses targeting scenarios not covered by previously published searches. New searches use vector-boson fusion production, initial-state radiation jets, and low-momentum lepton final states, as well as multivariate analysis techniques to improve the sensitivity to scenarios with small mass splittings and low-production cross-sections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Limitations for Quantum Algorithms to Solve Turbulent and Chaotic Systems

We investigate the limitations of quantum computers for solving nonlinear dynamical systems. In particular, we tighten the worst-case bounds of the quantum Carleman linearisation (QCL) algorithm answering one of their open questions. We provide a further significant limitation for any quantum algorithm that aims to output a quantum state that approximates the normalized solution vector. Given a natural choice of coordinates for a dynamical system with one or more positive Lyapunov exponents and solutions that grow sub-exponentially, we prove that any such algorithm has complexity scaling at least exponentially in the integration time. As such, an efficient quantum algorithm for simulating chaotic systems or regimes is likely not possible.

97 MATHEMATICS AND COMPUTING↗

Monte Carlo treatment of Lyman-alpha radiation in a plane-parallel atmosphere.

A Monte Carlo technique involving Stokes vectors is used to obtain the state of polarization and intensity of solar Lyman-alpha photons as they diffuse through a plane-parallel homogeneous model of earth's hydrogen envelope. Fine structure of Lyman-alpha and Doppler redistribution of frequencies are taken into account. Comparison of the results with Heath's observed upper limit for polarization of 1.5 per cent implies an optical thickness tau greater than 7 and intensities of 8-10 kilorayleighs for a solar Lyman-alpha flux of 5.8 ergs per sq cm per sec.

Modali, S. B.↗

Space Shuttle flight control system

The Space Shuttle is a control stabilized vehicle with control provided by an all digital, fly-by-wire flight control system. This paper gives a description of the several modes of flight control which correspond to the Shuttle mission phases. These modes are ascent flight control (including open loop first stage steering, the use of four computers operating in parallel and inertial guidance sensors), on-orbit flight control (with a discussion of reaction control, phase plane switching logic, jet selection logic, state estimator logic and OMS thrust vector control), entry flight control and TAEM (terminal area energy management to landing). Also discussed are redundancy management and backup flight control.

Klinar, W. J.↗

A multistage time-stepping scheme for the Navier-Stokes equations

A class of explicit multistage time-stepping schemes is used to construct an algorithm for solving the compressible Navier-Stokes equations. Flexibility in treating arbitrary geometries is obtained with a finite-volume formulation. Numerical efficiency is achieved by employing techniques for accelerating convergence to steady state. Computer processing is enhanced through vectorization of the algorithm. The scheme is evaluated by solving laminar and turbulent flows over a flat plate and an NACA 0012 airfoil. Numerical results are compared with theoretical solutions or other numerical solutions and/or experimental data.

Swanson, R. C.↗

A multistage time-stepping scheme for the Navier-Stokes equations

A class of explicit multistage time-stepping schemes is used to construct an algorithm for solving the compressible Navier-Stokes equations. Flexibility in treating arbitrary geometries is obtained with a finite-volume formulation. Numerical efficiency is achieved by employing techniques for accelerating convergence to steady state. Computer processing is enhanced through vectorization of the algorithm. The scheme is evaluated by solving laminar and turbulent flows over a flat plate and an NACA 0012 airfoil. Numerical results are compared with theoretical solutions or other numerical solutions and/or experimental data.

Swanson, R. C.↗

Piecewise linear approximation for hereditary control problems

Finite dimensional approximations are presented for linear retarded functional differential equations by use of discontinuous piecewise linear functions. The approximation scheme is applied to optimal control problems when a quadratic cost integral has to be minimized subject to the controlled retarded system. It is shown that the approximate optimal feedback operators converge to the true ones both in case the cost integral ranges over a finite time interval as well as in the case it ranges over an infinite time interval. The arguments in the latter case rely on the fact that the piecewise linear approximations to stable systems are stable in a uniform sense. This feature is established using a vector-component stability criterion in the state space R(n) x L(2) and the favorable eigenvalue behavior of the piecewise linear approximations.

Propst, Georg↗

Modelling of solar magnetic field and prominence structures

Using plasma theory, the interaction is studied between high frequency and magnetohydrodynamic (MHD) waves from which a set of coupling equations resulted. On the basis of this formalism, the modulation instabilities of an electromagnetic soliton in a current sheet are examined, and it is shown that there is a resistive instability at the onset of the magnetic field reconnection. This mechanism could be used to explain the onset of solar flares and prominences. To improve the resolution of vector magnetic fields at the sun's surface, state-of-the-art optics is examined to improve the design and fabrication of a new spaceborne solar vector magnetograph as part of the SAMEX (Solar Active Measurements Experiment) program.

Wu, Shi Tsan↗

Development of a stable electro-optical modulator

The activity of the sun can be studied through the measurement of its magnetic field. The measurement of the polarization state of the sunlight in a narrow spectral bandwidth can be related to the magnetic fields strengths and directions over the active sunspots. Measuring the polarization state can be done using the vector magnetograph. The essential component of the vector magnetograph is the polarization modulators. Electro-optical modulators are used as dynamic retarders. KDP (potassium dideuterium phosphate) crystals provide variable retardation which can be controlled by the applied voltage. KDP's have a high contrast ratio but suffer some problems; they require a high voltage and have a limited modulation lifetime. The KDP modulator forms the heart of the polarimeter assembly which is used for carrying out accurate measurements of linear polarization of the sun. It is therefore important to study the optical and electrical behavior of the KDP crystals so that the ultimate goal of making stable electro-optical modulators in the laboratory is achieved. A number of activities were performed in coating and testing the KDP crystals. A summary of these activities is given.

Abushagur, Mustafa A. G.↗

Integration of a Decentralized Linear-Quadratic-Gaussian Control into GSFC's Universal 3-D Autonomous Formation Flying Algorithm

A decentralized control is investigated for applicability to the autonomous formation flying control algorithm developed by GSFC for the New Millenium Program Earth Observer-1 (EO-1) mission. This decentralized framework has the following characteristics: The approach is non-hierarchical, and coordination by a central supervisor is not required; Detected failures degrade the system performance gracefully; Each node in the decentralized network processes only its own measurement data, in parallel with the other nodes; Although the total computational burden over the entire network is greater than it would be for a single, centralized controller, fewer computations are required locally at each node; Requirements for data transmission between nodes are limited to only the dimension of the control vector, at the cost of maintaining a local additional data vector. The data vector compresses all past measurement history from all the nodes into a single vector of the dimension of the state; and The approach is optimal with respect to standard cost functions. The current approach is valid for linear time-invariant systems only. Similar to the GSFC formation flying algorithm, the extension to linear LQG time-varying systems requires that each node propagate its filter covariance forward (navigation) and controller Riccati matrix backward (guidance) at each time step. Extension of the GSFC algorithm to non-linear systems can also be accomplished via linearization about a reference trajectory in the standard fashion, or linearization about the current state estimate as with the extended Kalman filter. To investigate the feasibility of the decentralized integration with the GSFC algorithm, an existing centralized LQG design for a single spacecraft orbit control problem is adapted to the decentralized framework while using the GSFC algorithm's state transition matrices and framework. The existing GSFC design uses both reference trajectories of each spacecraft in formation and by appropriate choice of coordinates and simplified measurement modeling is formulated as a linear time-invariant system. Results for improvements to the GSFC algorithm and a multiple satellite formation will be addressed. The goal of this investigation is to progressively relax the assumptions that result in linear time-invariance, ultimately to the point of linearization of the non-linear dynamics about the current state estimate as in the extended Kalman filter. An assessment will then be made about the feasibility of the decentralized approach to the realistic formation flying application of the EO-1/Landsat 7 formation flying experiment.

Folta, David C.↗

Spatial Analysis of Environmental Factors Related to Lyme Disease in Alabama by Means of NASA Earth Observation Systems

This slide presentation reviews the epidemiology of Lyme Disease that accounts for more than 95% or vector borne diseases in the United States. The history, symptoms and the life cycle of the tick, the transmitting agent of Lyme Disease, a map that shows the cases reported to the CDC between1990 and 2006 and the number of cases in Alabama by year from 1986 to 2007. A NASA project is described, the goals of which are to (1) Demonstrate the presence of the chain of infection of Lyme disease in Alabama (2) Identify areas with environmental factors that support tick population using NASA Earth Observation Systems data in selected areas of Alabama and (3) Increase community awareness of Lyme disease and recommend primary and secondary prevention strategies. The remote sensing methods included: Analyzed Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) and DigitalGlobe Quickbird satellite imagery from summer months and Performed image analyses in ER Mapper 7.1. Views from the ASTER and Quickbird land cover are shown, the Normalized Difference Vegetation Index (NDVI) algorithm was applied to all ASTER and Quickbird imagery. The use of the images to obtain the level of soil moisture is reviewed, and this analysis was used along with the NDVI, was used to identify the areas that support the tick population.

Renneboog, Nathan↗

Topological Structures in Unconventional Scenario for 2D Cuprates

Numerous experimental data point to cuprates as d-d charge transfer unstable systems whose description implies the inclusion of the three many-electron valence states CuO{sub 4}{sup 7−,6−,5−} (nominally Cu{sup 1+,2+,3+}) on an equal footing as a well-defined charge triplet. We introduce a minimal model to describe the charge degree of freedom in cuprates with the on-site Hilbert space reduced to only the three states and make use of the S = 1 pseudospin formalism. The formalism constitutes a powerful method to study complex phenomena in interacting quantum systems characterized by the coexistence and competition of various ordered states. Overall, such a framework provides a simple and systematic methodology to predict and discover new kinds of orders. In particular, the pseudospin formalism provides the most effective way to describe different topological structures, in particular, due to a possibility of a geometrical two-vector description of the on-site states. We introduce and analyze effective pseudospin Hamiltonian with on-site and inter-site charge correlations, two types of a correlated one-particle transfer and two-particle, or the composite boson transfer. The latter is of a principal importance for the HTSC perspectives. The 2D S = 1 pseudospin system is prone to a creation of different topological structures, which form topologically protected inhomogeneous distributions of the eight local S = 1 pseudospin order parameters. We present a short overview of localized topological structures, typical for S = 1 (pseudo)spin systems, focusing on unexpected antiphase domain walls in parent cuprates and so-called quadrupole skyrmion, which are believed to be candidates for a topological charge excitation in parent or underdoped cuprates. Puzzlingly, these unconventional structures can be characterized by an uniform distribution of the mean on-site charge, that makes these invisible for X-rays. Quasi-classical approximation and computer simulation are applied to analyze localized topological defects and evolution of the domain structures in “negative-U” model under charge order-superfluid phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Leveraging operator learning to accelerate convergence of the preconditioned conjugate gradient method

We propose a new deflation strategy to accelerate the convergence of the preconditioned conjugate gradient (PCG) method for solving parametric large-scale linear systems of equations. Unlike traditional deflation techniques that rely on eigenvector approximations or recycled Krylov subspaces, we generate the deflation subspaces using operator learning, specifically the Deep Operator Network (DeepONet). To this aim, we introduce two complementary approaches for assembling the deflation operators. The first approach approximates near-null space vectors of the discrete PDE operator using the basis functions learned by the DeepONet. The second approach directly leverages solutions predicted by the DeepONet. To further enhance convergence, we also propose several strategies for prescribing the sparsity pattern of the deflation operator. Here, a comprehensive set of numerical experiments encompassing steady-state, time-dependent, scalar, and vector-valued problems posed on both structured and unstructured geometries is presented and demonstrates the effectiveness of the proposed DeepONet-based deflated PCG method, as well as its generalization across a wide range of model parameters and problem resolutions.

Deflation↗

Search for pair production of heavy vector-like quarks decaying to high- p m a t h r m T W bosons and b quarks in the lepton-plus-jets final state in p p collisions at s =13 TeV with the ATLAS detector

CERN-LHC, ATLAS. Limits on pair production of a heavy vector-like T quark together with its antiparticle, where the T quark decays to a W boson and a b quark. The search is based on 36.1 +\- 1.2 fb^{-1} of pp collisions at sqrt{s} = 13 TeV recorded in 2015 and 2016 with the ATLAS detector at the CERN Large Hadron Collider. Data are analysed in the lepton plus jets final state, including at least one b-tagged jet and a large-radius jet identified as originating from the hadronic decay of a high-momentum W boson. The search is also sensitive to a heavy vector-like B quark, in particular in the decay to Wt and the results are thus reinterpreted to provide limits on the B mass. Mass limits on both T and B production are also set as a function of the decay branching ratios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Pervasive Restart In MOOSE-based Applications

Multiphysics applications are inherently complicated. Solving for multiple, interacting physical phenomena involves the solution of multiple equations, and each equation has its own data dependencies. Feeding the correct data to these equations at exactly the right time requires extensive effort in software design. In an ideal world, multiphysics applications always run to completion and produce correct answers. Unfortunately, in reality, there can be many reasons why a simulation might fail: power outage, system failure, exceeding a runtime allotment on a supercomputer, failure of the solver to converge, etc. A failure after many hours spent computing can be a significant setback for a project. Therefore, the ability to “continue” a solve from the point of failure, rather than starting again from scratch, is an essential component of any high-quality simulation tool. This process of “continuation” is commonly termed “restart” in the computational community. While the concept of restarting an application sounds ideal, the aforementioned complexities and data dependencies present in multiphysics applications make its implementation decidedly non-trivial. A running multiphysics calculation accumulates an enormous amount of “state”: current time, solution history, material properties, status of mechanical contact, etc. This “state” data comes in many different forms, including scalar, tensor, vector, and arbitrary, application-specific data types. To be able to restart an application, you must be able to both store and retrieve this data, effectively recreating the state of the application before the failure. When utilizing the Multiphysics Object Oriented Simulation Environment (MOOSE) framework developed at Idaho National Laboratory, this state data is stored both internally within the framework itself (such as solution vectors and the current time) and within the applications that use the framework. In order to implement restart in MOOSE-based applications, the total state of the system (both within the framework and without) must be stored and retrieved. To this end, the MOOSE team has implemented a “pervasive” restart capability which allows any object within MOOSE (or within a MOOSE-based application) to be declared as “state” data, and handles the storage and retrieval of said data.

97 MATHEMATICS AND COMPUTING↗