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At least 361 records · Page 20

Efficient online quantum circuit learning with no upfront training

Optimization is a promising candidate for studying the utility of variational quantum algorithms (VQAs). However, evaluating cost functions using quantum hardware introduces runtime overheads that limit exploration. Surrogate-based methods can reduce calls to a quantum computer, yet existing approaches require hyperparameter pre-training and have been tested only on small problems. Here, we show that surrogate-based methods can enable successful optimization at scale, without pre-training, by using radial basis function interpolation (RBF) to construct an adaptive, hyperparameter-free surrogate. Using the surrogate as an acquisition function drives hardware queries to the vicinity of the true optima. For 16-qubit random 3-regular Max-Cut instances with the Quantum Approximate Optimization Algorithm (QAOA), our method outperforms state-of-the-art approaches, without considering their upfront training costs. Furthermore, we successfully optimize QAOA circuits for 127-qubit random Ising models on an IBM processor using 10 4 −10 5 measurements. Strong empirical performance demonstrates the promise of automated surrogate-based learning for large-scale VQA applications.

97 MATHEMATICS AND COMPUTING↗

Preserving Symmetries for Variational Quantum Eigensolvers in the Presence of Noise

One of the most promising applications of noisy intermediate-scale quantum computers is the simulation of molecular Hamiltonians using the variational quantum eigensolver (VQE). Here, we show that encoding symmetries of the simulated Hamiltonian in the VQE ansatz reduces both classical and quantum resources compared to other widely available ansatze. Through simulations of the H 2 molecule and of a Heisenberg model on a two-dimensional lattice, we verify that these improvements persist in the presence of noise. This is done using both real IBM devices and classical simulations. We also demonstrate how these techniques can be used to find molecular excited states of various symmetries using a noisy processor. We use error-mitigation techniques to further improve the quality of our results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA Tech Briefs, March 2007

Topics include: Advanced Systems for Monitoring Underwater Sounds; Wireless Data-Acquisition System for Testing Rocket Engines; Processing Raw HST Data With Up-to-Date Calibration Data; Mobile Collection and Automated Interpretation of EEG Data; System for Secure Integration of Aviation Data; Servomotor and Controller Having Large Dynamic Range; Digital Multicasting of Multiple Audio Streams; Translator for Optimizing Fluid-Handling Components; AIRSAR Web-Based Data Processing; Pattern Matcher for Trees Constructed From Lists; Reducing a Knowledge-Base Search Space When Data Are Missing; Ground-Based Correction of Remote-Sensing Spectral Imagery; State-Chart Autocoder; Pointing History Engine for the Spitzer Space Telescope; Low-Friction, High-Stiffness Joint for Uniaxial Load Cell; Magnet-Based System for Docking of Miniature Spacecraft; Electromechanically Actuated Valve for Controlling Flow Rate; Plumbing Fixture for a Microfluidic Cartridge; Camera Mount for a Head-Up Display; Core-Cutoff Tool; Recirculation of Laser Power in an Atomic Fountain; Simplified Generation of High-Angular-Momentum Light Beams; Imaging Spectrometer on a Chip; Interferometric Quantum-Nondemolition Single-Photon Detectors; Ring-Down Spectroscopy for Characterizing a CW Raman Laser; Complex Type-II Interband Cascade MQW Photodetectors; Single-Point Access to Data Distributed on Many Processors; Estimating Dust and Water Ice Content of the Martian Atmosphere From THEMIS Data; Computing a Stability Spectrum by Use of the HHT; Theoretical Studies of Routes to Synthesis of Tetrahedral N4; Estimation Filter for Alignment of the Spitzer Space Telescope; Antenna for Measuring Electric Fields Within the Inner Heliosphere; Improved High-Voltage Gas Isolator for Ion Thruster; and Hybrid Mobile Communication Networks for Planetary Exploration.

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Fragme∩t: An Open‐Source Framework for Multiscale Quantum Chemistry Based on Fragmentation

Fragment-based quantum chemistry offers a means to circumvent the nonlinear computational scaling of conventional electronic structure calculations, by partitioning a large calculation into smaller subsystems then considering the many-body interactions between them. Variants of this approach have been used to parameterize classical force fields and machine learning potentials, applications that benefit from interoperability between quantum chemistry codes. However, there is a dearth of software that provides interoperability yet is purpose-built to handle the combinatorial complexity of fragment-based calculations. To fill this void we introduce “Fragme∩t”, an open-source software application that provides a tool for community validation of fragment-based methods, a platform for developing new approximations, and a framework for analyzing many-body interactions. Fragme∩t includes algorithms for automatic fragment generation and structure modification, and for distance- and energy-based screening of the requisite subsystems. Checkpointing, database management, and parallelization are handled internally and results are archived in a portable database. Interfaces to various quantum chemistry engines are easy to write and exist already for Q-Chem, PySCF, xTB, Orca, CP2K, MRCC, Psi4, NWChem, GAMESS, and MOPAC. Applications reported here demonstrate parallel efficiencies around 96% on more than 1000 processors but also showcase that the code can handle large-scale protein fragmentation using only workstation hardware, all with a codebase that is designed to be usable by non-experts. Fragme∩t conforms to modern software engineering best practices and is built upon well established technologies including Python, SQLite, and Ray. The source code is available under the Apache 2.0 license.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum/AI Topology-Aware Latency-Adaptive HPC Workflow Scheduling Optimization

The growing demand for more powerful high-performance computing (HPC) systems has led to a steady rise in energy consumption by supercomputing worldwide. This study is focused on comparing our Application-Topology Mapper (ATMapper) to the popular Simple Linux Utility for Resource Management (SLURM) for the purpose of exploring methods that can further optimize job-scheduling within HPC systems. ATMapper is an Artificial-Intelligence based approach to job-scheduling that is currently being enhanced with quantum annealing (QA) to generate optimal schedules faster. We are applying QA to speedup our ATMapper process to achieve higher computing efficiency, thereby reducing HPC energy consumption. Here, we examine how four job-scheduling approaches perform in processor node assignment when using an example network architecture of 4 interconnected nodes. Using a specialized script, we are assessing the schedule of a computation flow with 11 interdependent tasks. The data movements among nodes were tracked to count for the number of interactions (network hops) between nodes needed to complete the tasks. The total number of hops and the job completion time were then used to quantify the efficiency of the different mapping approaches. In addition to SLURM, we also compare our ATMapper to the QA-enabled LBNL TIGER and the D-Wave Distributed Computing processor assignment approaches. The preliminary results showed that our topology-aware, latency-adaptive ATMapper is significantly more efficient when compared to the other scheduling approaches due to its load-imbalance network allocation. The scheduler displayed a computing efficiency of 53% by performing significantly fewer network hops than its alternatives. By reducing the number of hops, ATMapper was able to perform all 11 tasks by using only 3 nodes out of given 4. This research indicates the potential to use QA/AI for HPC job-scheduling. Later, we will test a SLURM simulator program to draw further comparisons on the effectiveness of ATMapper's scheduling approach. The results of this comparison will serve as a baseline for later improving SLURM's performance using a QA-enhanced ATMapper approach.

Caraveo, Braulio [University of Huston - Clear Lak↗

Hot Chips and Hot Interconnects for High End Computing Systems

I will discuss several processors: 1. The Cray proprietary processor used in the Cray X1; 2. The IBM Power 3 and Power 4 used in an IBM SP 3 and IBM SP 4 systems; 3. The Intel Itanium and Xeon, used in the SGI Altix systems and clusters respectively; 4. IBM System-on-a-Chip used in IBM BlueGene/L; 5. HP Alpha EV68 processor used in DOE ASCI Q cluster; 6. SPARC64 V processor, which is used in the Fujitsu PRIMEPOWER HPC2500; 7. An NEC proprietary processor, which is used in NEC SX-6/7; 8. Power 4+ processor, which is used in Hitachi SR11000; 9. NEC proprietary processor, which is used in Earth Simulator. The IBM POWER5 and Red Storm Computing Systems will also be discussed. The architectures of these processors will first be presented, followed by interconnection networks and a description of high-end computer systems based on these processors and networks. The performance of various hardware/programming model combinations will then be compared, based on latest NAS Parallel Benchmark results (MPI, OpenMP/HPF and hybrid (MPI + OpenMP). The tutorial will conclude with a discussion of general trends in the field of high performance computing, (quantum computing, DNA computing, cellular engineering, and neural networks).

Saini, Subhash↗

Engineering high-coherence superconducting qubits

Advances in materials science and engineering have played a central role in the development of classical computers and will undoubtedly be critical in propelling the maturation of quantum information technologies. In approaches to quantum computation based on superconducting circuits, as one goes from bulk materials to functional devices, amorphous films and non-equilibrium excitations — electronic and phononic — are introduced, leading to dissipation and fluctuations that limit the computational power of state-of-the-art qubits and processors. In this Review, the major sources of decoherence in superconducting qubits are identified through an exploration of seminal qubit and resonator experiments. The proposed microscopic mechanisms associated with these imperfections are summarized, and directions for future research are discussed. The trade-offs between simple qubit primitives based on a single Josephson tunnel junction and more complex designs that use additional circuit elements, or new junction modalities, to reduce sensitivity to local noise sources are discussed, particularly in the context of materials optimization strategies for each architecture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations

Scalability of a low-cost, Intel Xeon-based, multi-Teraflop Linux cluster is tested for two high-end scientific applications: Classical atomistic simulation based on the molecular dynamics method and quantum mechanical calculation based on the density functional theory. These scalable parallel applications use space-time multiresolution algorithms and feature computational-space decomposition, wavelet-based adaptive load balancing, and spacefilling-curve-based data compression for scalable I/O. Comparative performance tests are performed on a 1,024-processor Linux cluster and a conventional higher-end parallel supercomputer, 1,184-processor IBM SP4. The results show that the performance of the Linux cluster is comparable to that of the SP4. We also study various effects, such as the sharing of memory and L2 cache among processors, on the performance.

Kikuchi, Hideaki↗

System and method for high power diode based additive manufacturing

A system is disclosed for performing an Additive Manufacturing (AM) fabrication process on a powdered material forming a substrate. The system may make use of a diode array for generating an optical signal sufficient to melt a powdered material of the substrate. A mask may be used for preventing a first predetermined portion of the optical signal from reaching the substrate, while allowing a second predetermined portion to reach the substrate. At least one processor may be used for controlling an output of the diode array.

36 MATERIALS SCIENCE↗

Adaptive pruning-based optimization of parameterized quantum circuits

Abstract Variational hybrid quantum–classical algorithms are powerful tools to maximize the use of noisy intermediate-scale quantum devices. While past studies have developed powerful and expressive ansatze, their near-term applications have been limited by the difficulty of optimizing in the vast parameter space. In this work, we propose a heuristic optimization strategy for such ansatze used in variational quantum algorithms, which we call ‘parameter-efficient circuit training (PECT)’. Instead of optimizing all of the ansatz parameters at once, PECT launches a sequence of variational algorithms, in which each iteration of the algorithm activates and optimizes a subset of the total parameter set. To update the parameter subset between iterations, we adapt the Dynamic Sparse Reparameterization scheme which was originally proposed for training deep convolutional neural networks. We demonstrate PECT for the Variational Quantum Eigensolver, in which we benchmark unitary coupled-cluster ansatze including UCCSD and k -UpCCGSD, as well as the Low-Depth Circuit Ansatz (LDCA), to estimate ground state energies of molecular systems. We additionally use a layerwise variant of PECT to optimize a hardware-efficient circuit for the Sycamore processor to estimate the ground state energy densities of the one-dimensional Fermi-Hubbard model. From our numerical data, we find that PECT can enable optimizations of certain ansatze that were previously difficult to converge and more generally can improve the performance of variational algorithms by reducing the optimization runtime and/or the depth of circuits that encode the solution candidate(s).

Physics↗

End-to-end protocol for high-quality quantum approximate optimization algorithm parameters with few shots

The quantum approximate optimization algorithm (QAOA) is a quantum heuristic for combinatorial optimization that has been demonstrated to scale better than state-of-the-art classical solvers for some problems. For a given problem instance, QAOA performance depends crucially on the choice of the parameters. While average-case optimal parameters are available in many cases, meaningful performance gains can be obtained by fine-tuning these parameters for a given instance. This task is especially challenging, however, when the number of circuit executions (shots) is limited. In this work, we develop an end-to-end protocol that combines multiple parameter settings and fine-tuning techniques. We use large-scale numerical experiments to optimize the protocol for the shot-limited setting and observe that optimizers with the simplest internal model (linear) perform best. We implement the optimized pipeline on a trapped-ion processor using up to 32 qubits and 5 QAOA layers, and we demonstrate that the pipeline is robust to small amounts of hardware noise. To the best of our knowledge, these are the largest demonstrations of QAOA parameter fine-tuning on a trapped-ion processor in terms of two-qubit gate count.

quantum algorithms & computation↗

NASA Tech Briefs, August 2006

Topics covered include: Measurement and Controls Data Acquisition System IMU/GPS System Provides Position and Attitude Data Using Artificial Intelligence to Inform Pilots of Weather Fast Lossless Compression of Multispectral-Image Data Developing Signal-Pattern-Recognition Programs Implementing Access to Data Distributed on Many Processors Compact, Efficient Drive Circuit for a Piezoelectric Pump; Dual Common Planes for Time Multiplexing of Dual-Color QWIPs; MMIC Power Amplifier Puts Out 40 mW From 75 to 110 GHz; 2D/3D Visual Tracker for Rover Mast; Adding Hierarchical Objects to Relational Database General-Purpose XML-Based Information Managements; Vaporizable Scaffolds for Fabricating Thermoelectric Modules; Producing Quantum Dots by Spray Pyrolysis; Mobile Robot for Exploring Cold Liquid/Solid Environments; System Would Acquire Core and Powder Samples of Rocks; Improved Fabrication of Lithium Films Having Micron Features; Manufacture of Regularly Shaped Sol-Gel Pellets; Regulating Glucose and pH, and Monitoring Oxygen in a Bioreactor; Satellite Multiangle Spectropolarimetric Imaging of Aerosols; Interferometric System for Measuring Thickness of Sea Ice; Microscale Regenerative Heat Exchanger Protocols for Handling Messages Between Simulation Computers Statistical Detection of Atypical Aircraft Flights NASA's Aviation Safety and Modeling Project Multimode-Guided-Wave Ultrasonic Scanning of Materials Algorithms for Maneuvering Spacecraft Around Small Bodies Improved Solar-Radiation-Pressure Models for GPS Satellites Measuring Attitude of a Large, Flexible, Orbiting Structure

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A particle-in-cell code comparison for ion acceleration: EPOCH, LSP, and WarpX

There are now more Particle-in-Cell (PIC) codes than ever before that researchers use to simulate intense laser-plasma interactions. To date, there have been relatively few direct comparisons of these codes in the literature, especially for relativistic intensity lasers interacting with thin overdense targets. To address this we perform a code comparison of three PIC codes: EPOCH, LSP, and WarpX for the problem of laser-driven ion acceleration in a 2D(3v) geometry for a 10 20 W cm -2 intensity laser. We examine the plasma density, ion energy spectra, and laser-plasma coupling of the three codes and find strong agreement. We also run the same simulation 20 times with different random seeds to explore statistical fluctuations of the outputs. We then compare the execution times and memory usage of the codes (without “tuning” to improve performance) using between 1 and 48 processors on one node. We provide input files to encourage larger and more frequent code comparisons in this field.

36 MATERIALS SCIENCE↗

Runtime power allocation approach for GAMESS hybrid CPU‐GPU implementation

Summary To improve power consumption of applications at the runtime, modern processors provide frequency scaling capabilities, which along with workload optimization, are also available on GPU accelerators. In this work, a runtime strategy is proposed to distribute a given power allocation among the host components and the GPU according to the current application performance and power usage, such that GPU execution is prioritized over CPU for power allocation to maximize application performance. Next, the strategy is tailored to an application, a quantum‐chemistry package GAMESS for ab initio electronic structure calculations. Specifically, GAMESS hybrid CPU–GPU implementation as provided in the Libcchem library is considered. Experiments, performed on a 28‐core node with a Kepler GPU, resulted in performance gains of up to 50% under the proposed strategy and the largest power allocation considered here as compared with the scenario when this allocation was equally distributed among the computing‐platform components.

Sundriyal, Vaibhav↗

PAGOSA Mesh Block Calculator

A method for automatically generating the “mesh namelist block” portion of a PAGOSA input file, which specifies the boundaries and zone sizes of the computational mesh, has been developed. This application standardizes the mesh block for 2-, and 3-dimensional problems and is computed after the user specifies the extent and resolution of the mesh and the number of processors which will be used to run the problem. The inputs may be provided directly through a series of command-line guided questions, or a separate input file. The mesh block is written to both standard output and to disk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hierarchical Statistical 3D ' Atomistic' Simulation of Decanano MOSFETs: Drift-Diffusion, Hydrodynamic and Quantum Mechanical Approaches

When MOSFETs are scaled to deep submicron dimensions the discreteness and randomness of the dopant charges in the channel region introduces significant fluctuations in the device characteristics. This effect, predicted 20 year ago, has been confirmed experimentally and in simulation studies. The impact of the fluctuations on the functionality, yield, and reliability of the corresponding systems shifts the paradigm of the numerical device simulation. It becomes insufficient to simulate only one device representing one macroscopical design in a continuous charge approximation. An ensemble of macroscopically identical but microscopically different devices has to be characterized by simulation of statistically significant samples. The aims of the numerical simulations shift from predicting the characteristics of a single device with continuous doping towards estimating the mean values and the standard deviations of basic design parameters such as threshold voltage, subthreshold slope, transconductance, drive current, etc. for the whole ensemble of 'atomistically' different devices in the system. It has to be pointed out that even the mean values obtained from 'atomistic' simulations are not identical to the values obtained from continuous doping simulations. In this paper we present a hierarchical approach to the 'atomistic' simulation of aggressively scaled decanano MOSFETs. A full scale 3D drift-diffusion'atomostic' simulation approach is first described and used for verification of the more economical, but also more restricted, options. To reduce the processor time and memory requirements at high drain voltage we have developed a self-consistent option based on a thin slab solution of the current continuity equation only in the channel region. This is coupled to the Poisson's equation solution in the whole simulation domain in the Gummel iteration cycles. The accuracy of this approach is investigated in comparison with the full self-consistent solution. At low drain voltage only single solution of the nonlinear Poisson equation is sufficient to extract the current with satisfactory accuracy. A pilot version of a hydrodynamic 'atomistic' simulator has been developed in order to study the effect of the nonequilibrium, non local transport in decanano MOSFETs on the random dopant induced current fluctuations. For the first time we have also applied the density gradient approach in 3D to investigate the effect of the quantum confinement on the threshold voltage fluctuations. The developed 'atomistic' simulation techniques have been applied to study various fluctuation resistant MOSFET architectures including epitaxial and delta doped devices.

Asenov, Asen↗

NASA Tech Briefs, July 2004

Topics: Optoelectronic Sensor System for Guidance in Docking; Hybrid Piezoelectric/Fiber-Optic Sensor Sheets; Multisensor Arrays for Greater Reliability and Accuracy; Integrated-Optic Oxygen Sensors; Ka-Band Autonomous Formation Flying Sensor; CMOS VLSI Active-Pixel Sensor for Tracking; Lightweight, Self-Deploying Foam Antenna Structures; Electrically Small Microstrip Quarter-Wave Monopole Antennas; A 2-to-28-MHz Phase-Locked Loop; Portable Electromyograph; Open-Source Software for Modeling of Nanoelectronic Devices; Software for Generating Strip Maps from SAR Data; Calibration Software for use with Jurassicprok; Software for Probabilistic Risk Reduction; Software Processes SAR Motion-Measurement Data; Improved Method of Purifying Carbon Nanotubes; Patterned Growth of Carbon Nanotubes or Nanofibers; Lightweight, Rack-Mountable Composite Cold Plate/Shelves; SiC-Based Miniature High-Temperature Cantilever Anemometer; Inlet Housing for a Partial-Admission Turbine; Lightweight Thermoformed Structural Components and Optics; Growing High-Quality InAs Quantum Dots for Infrared Lasers; Selected Papers on Protoplanetary Disks; Module for Oxygenating Water without Generating Bubbles; Coastal Research Imaging Spectrometer; Rapid Switching and Modulation by use of Coupled VCSELs; Laser-Induced-Fluorescence Photogrammetry and Videogrammetry; Laboratory Apparatus Generates Dual-Species Cold Atomic Beam; Laser Ablation of Materials for Propulsion of Spacecraft; Small Active Radiation Monitor; Hybrid Image-Plane/Stereo Manipulation; Partitioning a Gridded Rectangle into Smaller Rectangles; Digital Radar-Signal Processors Implemented in FPGAs; Part 1 of a Computational Study of a Drop-Laden Mixing Layer; and Some Improvements in Signal-Conditioning Circuits.

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HTMT-class Latency Tolerant Parallel Architecture for Petaflops Scale Computation

Computational Aero Sciences and other numeric intensive computation disciplines demand computing throughputs substantially greater than the Teraflops scale systems only now becoming available. The related fields of fluids, structures, thermal, combustion, and dynamic controls are among the interdisciplinary areas that in combination with sufficient resolution and advanced adaptive techniques may force performance requirements towards Petaflops. This will be especially true for compute intensive models such as Navier-Stokes are or when such system models are only part of a larger design optimization computation involving many design points. Yet recent experience with conventional MPP configurations comprising commodity processing and memory components has shown that larger scale frequently results in higher programming difficulty and lower system efficiency. While important advances in system software and algorithms techniques have had some impact on efficiency and programmability for certain classes of problems, in general it is unlikely that software alone will resolve the challenges to higher scalability. As in the past, future generations of high-end computers may require a combination of hardware architecture and system software advances to enable efficient operation at a Petaflops level. The NASA led HTMT project has engaged the talents of a broad interdisciplinary team to develop a new strategy in high-end system architecture to deliver petaflops scale computing in the 2004/5 timeframe. The Hybrid-Technology, MultiThreaded parallel computer architecture incorporates several advanced technologies in combination with an innovative dynamic adaptive scheduling mechanism to provide unprecedented performance and efficiency within practical constraints of cost, complexity, and power consumption. The emerging superconductor Rapid Single Flux Quantum electronics can operate at 100 GHz (the record is 770 GHz) and one percent of the power required by convention semiconductor logic. Wave Division Multiplexing optical communications can approach a peak per fiber bandwidth of 1 Tbps and the new Data Vortex network topology employing this technology can connect tens of thousands of ports providing a bi-section bandwidth on the order of a Petabyte per second with latencies well below 100 nanoseconds, even under heavy loads. Processor-in-Memory (PIM) technology combines logic and memory on the same chip exposing the internal bandwidth of the memory row buffers at low latency. And holographic storage photorefractive storage technologies provide high-density memory with access a thousand times faster than conventional disk technologies. Together these technologies enable a new class of shared memory system architecture with a peak performance in the range of a Petaflops but size and power requirements comparable to today's largest Teraflops scale systems. To achieve high-sustained performance, HTMT combines an advanced multithreading processor architecture with a memory-driven coarse-grained latency management strategy called "percolation", yielding high efficiency while reducing the much of the parallel programming burden. This paper will present the basic system architecture characteristics made possible through this series of advanced technologies and then give a detailed description of the new percolation approach to runtime latency management.

Sterling, Thomas↗