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At least 253 records · Page 14

Abstract Machine Models and Proxy Architectures for Exascale Computing

To achieve exascale computing, fundamental hardware architectures must change. The most significant consequence of this assertion is the impact on the scientific and engineering applications that run on current high performance computing (HPC) systems, many of which codify years of scientific domain knowledge and refinements for contemporary computer systems. In order to adapt to exascale architectures, developers must be able to reason about new hardware and determine what programming models and algorithms will provide the best blend of performance and energy efficiency into the future. While many details of the exascale architectures are undefined, an abstract machine model is designed to allow application developers to focus on the aspects of the machine that are important or relevant to performance and code structure. These models are intended as communication aids between application developers and hardware architects during the co-design process. We use the term proxy architecture to describe a parameterized version of an abstract machine model, with the parameters added to elucidate potential speeds and capacities of key hardware components. These more detailed architectural models are formulated to enable discussion between the developers of analytic models and simulators and computer hardware architects. They allow for application performance analysis and hardware optimization opportunities. In this report our goal is to provide the application development community with a set of models that can help software developers prepare for exascale. In addition, through the use of proxy architectures, we can enable a more concrete exploration of how well new and evolving application codes map onto future architectures. This second version of the document addresses system scale considerations and provides a system-level abstract machine model with proxy architecture information.

97 MATHEMATICS AND COMPUTING↗

Nanoscale Probing of Electrical Memory Effects in van der Waals Layered PdSe 2

Tunable electronic materials that can be switched between different impedance states are fundamental to the hardware elements for neuromorphic computing architectures. This “brain-like” computing paradigm uses highly paralleled and colocated data processing, leading to greatly improved energy efficiency and performance compared to traditional architectures in which data have to be frequently transferred between processor and memory. In this work, we use scanning microwave impedance microscopy for nanoscale electrical and electronic characterization of two-dimensional layered semiconductor PdSe 2 to probe neuromorphic properties. The local resolution of tens of nanometers reveals significant differences in electronic behavior between and within PdSe 2 nanosheets (NSs). In particular, we detected both n-type and p-type behaviors, although previous reports only point to ambipolar n-type dominating characteristics. Nanoscale capacitance–voltage curves and subsequent calculation of characteristic maps revealed a hysteretic behavior originating from the creation and erasure of Se vacancies as well as the switching of defect charge states. In addition, stacks consisting of two NSs show enhanced resistive and capacitive switching, which is attributed to trapped charge carriers at the interfaces between the stacked NSs. Stacking n- and p-type NSs results in a combined behavior that allows one to tune electrical characteristics. In conclusion, as local inhomogeneities of electrical and electronic behavior can have a significant impact on the overall device performance, the demonstrated nanoscale characterization and analysis will be applicable to a wide range of semiconducting materials.

2D material↗

Vectorization, threading, and cache-blocking considerations for hydrocodes on emerging architectures

This work reports on considerations for improving computational performance in preparation for current and expected changes to computer architecture. The algorithms studied will include increasingly complex prototypes for radiation hydrodynamics codes, such as gradient routines and diffusion matrix assembly (e.g., in [1-6]). The meshes considered for the algorithms are structured or unstructured meshes. The considerations applied for performance improvements are meant to be general in terms of architecture (not specifically graphical processing unit (GPUs) or multi-core machines, for example) and include techniques for vectorization, threading, tiling, and cache blocking. Out of a survey of optimization techniques on applications such as diffusion and hydrodynamics, we make general recommendations with a view toward making these techniques conceptually accessible to the applications code developer. Published 2015. This article is a U.S. Government work and is in the public domain in the USA.

97 MATHEMATICS AND COMPUTING↗

VLSI neuroprocessors

Electronic and optoelectronic hardware implementations of highly parallel computing architectures address several ill-defined and/or computation-intensive problems not easily solved by conventional computing techniques. The concurrent processing architectures developed are derived from a variety of advanced computing paradigms including neural network models, fuzzy logic, and cellular automata. Hardware implementation technologies range from state-of-the-art digital/analog custom-VLSI to advanced optoelectronic devices such as computer-generated holograms and e-beam fabricated Dammann gratings. JPL's concurrent processing devices group has developed a broad technology base in hardware implementable parallel algorithms, low-power and high-speed VLSI designs and building block VLSI chips, leading to application-specific high-performance embeddable processors. Application areas include high throughput map-data classification using feedforward neural networks, terrain based tactical movement planner using cellular automata, resource optimization (weapon-target assignment) using a multidimensional feedback network with lateral inhibition, and classification of rocks using an inner-product scheme on thematic mapper data. In addition to addressing specific functional needs of DOD and NASA, the JPL-developed concurrent processing device technology is also being customized for a variety of commercial applications (in collaboration with industrial partners), and is being transferred to U.S. industries. This viewgraph p resentation focuses on two application-specific processors which solve the computation intensive tasks of resource allocation (weapon-target assignment) and terrain based tactical movement planning using two extremely different topologies. Resource allocation is implemented as an asynchronous analog competitive assignment architecture inspired by the Hopfield network. Hardware realization leads to a two to four order of magnitude speed-up over conventional techniques and enables multiple assignments, (many to many), not achievable with standard statistical approaches. Tactical movement planning (finding the best path from A to B) is accomplished with a digital two-dimensional concurrent processor array. By exploiting the natural parallel decomposition of the problem in silicon, a four order of magnitude speed-up over optimized software approaches has been demonstrated.

Kemeny, Sabrina E.↗

Scalable Solutions to Integral Equation and Finite Element Simulations

The application of advanced computer architecture and software to a broad range of electromagnetic problems had allowed more accurate simulations of electrically larger and more complex components and systems...This paper overviews solutions to Maxwell's equations implicitly defined through systems of linear equations.

parallel↗

Weighted relaxation for multigrid reduction in time

Current trends in computer architectures now mean that faster computation speed must come primarily from increased concurrency, not faster clock speeds, which are stagnating. Thus, this situation creates bottlenecks for serial algorithms, including the well-known bottleneck for sequential time-integration, where each individual time-value (i.e., time-step) is computed sequentially. One approach to alleviate this and achieve parallelism in time is with multigrid. Here, in this work, we consider multigrid-reduction-in-time (MGRIT), a multilevel method applied to the time dimension that computes multiple time-steps in parallel. Like all multigrid methods, MGRIT relies on the complementary relationship between relaxation on a fine-grid and a correction from the coarse grid to solve the problem. All current MGRIT implementations are based on unweighted-Jacobi relaxation; here we introduce the concept of weighted relaxation to MGRIT. We derive new convergence bounds for weighted relaxation, and use this analysis to guide the selection of relaxation weights. Numerical results then demonstrate that by choosing appropriate non-unitary relaxation weights, one can achieve faster convergence rates and lower iteration counts for MGRIT when compared with unweighted relaxation. In most cases, weighted relaxation yields a 10%–20% saving in iterations, which is significant when using large high-performance computers. For A-stable integration schemes, results also illustrate that under-relaxation can restore convergence in some cases where unweighted relaxation is not convergent.

97 MATHEMATICS AND COMPUTING↗

Autonomous continuous flow reactor synthesis for scalable atom-precision

With new instrumentation design, robotics, and in-operando hyphenated analytical tool automation, the intelligent discovery of synthesis pathways is becoming feasible. It can potentially bridge the gap for the scale-up of new materials. In this article, we review current progress and describe a new system that uses an autonomous continuous flow chemistry framework to translate high-quality lead molecules and materials to quantities that can meet scalability demands. At the core is a continuous flow synthesis platform that can design its viable synthesis pathway to a particular molecule or material and then autonomously carry it out. This is realized by integrating: (1) A workflow/architecture for multimode chemical/materials characterization in-line. The in-line characterization modes are NMR, ESR, IR, Raman, UV-Vis, GC-MS, and HPLC, along with ex-situ modes for X-Ray and neutron scattering; (2) Integration for feedback/analysis/data storage of the control variables; (3) A core software stack that includes deep learning and reinforcement learning alongside quantum chemistry and molecular dynamics; (4) On-demand compute architectures that parse calculations to compute resources needed which include light-weight edge, mid-level edge (NVIDA DGX-2), and high-performance computing. We demonstrate preliminary results on how this autonomous reactor system can enhance our ability to deliver deuterated materials, copolymers, and site-substituted molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Introduction: Neuromorphic Materials

The explosive growth in data collection and the need to process it efficiently, as well as the desire to automate increasingly complex tasks in transportation, medical care, manufacturing, security and many other fields have motivated a growing interest in neuromorphic computing. Unlike the binary, transistorbased ON/OFF logic gates and separate logic and memory functionalities employed in digital computing, neuromorphic computing is inspired by animal brains that use interconnected synapses and neurons to perform processing, storage and transmission of information at the same location, while only consuming ~20 W or less of power. Motivated by the brain’s efficiency, adaptability, self-learning and resiliency qualities, neuromorphic computing can be broadly defined as an approach to processing and storing information using hardware and algorithms inspired by models of biological neural systems. Present research in neuromorphic computing encompasses approaches that vary significantly in their degree of neuro-inspiration, from systems that only incorporate features such as asynchronous, event-driven operation or use crossbar arrays of non-volatile memory (NVM) elements to accelerate deep neural networks (DNNs), to designs that embrace the extreme parallelism, sparsity, reconfigurability, adaptability, complexity and stochasticity observed in nervous systems. The term ‘neuromorphic’ computing is often credited to Carver Mead, who in the 1980s investigated Si-based analog electronics to replicate functions of the animal retina. Earlier important advances in this field include the work of Frank Rosenblatt, who proposed the concept of the perceptron, Bernard Widrow, who used this concept to build one of the first analog neural networks, the Adaline and many other researchers (see ref. 6 for an historical perspective on neuromorphic computing). With the recent increase in the use of artificial intelligence and large language models, and rising concerns over the associated energy costs, interest in neuromorphic hardware has expanded rapidly. According to some estimates, driven largely by the drastic growth in the training use of artificial intelligence (AI) models using the current computing architectures, the energy cost of computing is projected to reach the energy supply worldwide by 2045. Furthermore, while this is not a realistic outcome, it means that, if more efficient computing technologies are not developed -- soon -- the world will soon become one where demand for energy and market constraints limit the continued increase of societal access to AI and cloud services from data centers. Data centers used for training and use of these models consume hundreds of terawatt hours of electricity, already past 4% of the US electricity demand.

Circuits↗

A New Semistructured Algebraic Multigrid Method

Multigrid methods are well suited to large massively parallel computer architectures because they are mathematically optimal and display good parallelization properties. Since current architecture trends are favoring regular compute patterns to achieve high performance, the ability to express structure has become much more important. The hypre software library provides high-performance multigrid preconditioners and solvers through conceptual interfaces, including a semistructured interface that describes matrices primarily in terms of stencils and logically structured grids. This paper presents a new semistructured algebraic multigrid (SSAMG) method built on this interface. The numerical convergence and performance of a CPU implementation of this method are evaluated for a set of semistructured problems. In conclusion, SSAMG achieves significantly better setup times than hypre’s unstructured AMG solvers and comparable convergence. In addition, the new method is capable of solving more complex problems than hypre’s structured solvers.

97 MATHEMATICS AND COMPUTING↗

PetaVision version 2.0

PetaVision is an open source, object oriented neural simulation toolbox optimized for high-performance multi-core, multi-node computer architectures. PetaVision is intended for computational neuroscientists who seek to apply neuromorphic models to hard signal processing problems; both to improve on the performance of existing algorithms and/or to gain insight into the computational mechanisms underlying biological neural processing. Please note that this assertion and ESTSC deposit are only for the portions of PetaVision which have been funded and written by LANL developers.

Lundquist, Sheng↗

A study of standard building blocks for the design of fault-tolerant distributed computer systems

This paper presents the results of a study that has established a standard set of four semiconductor VLSI building-block circuits. These circuits can be assembled with off-the-shelf microprocessors and semiconductor memory modules into fault-tolerant distributed computer configurations. The resulting multi-computer architecture uses self-checking computer modules backed up by a limited number of spares. A redundant bus system is employed for communication between computer modules.

Rennels, D. A.↗

Benchmarking Memory Performance with the Data Cube Operator

Data movement across a computer memory hierarchy and across computational grids is known to be a limiting factor for applications processing large data sets. We use the Data Cube Operator on an Arithmetic Data Set, called ADC, to benchmark capabilities of computers and of computational grids to handle large distributed data sets. We present a prototype implementation of a parallel algorithm for computation of the operatol: The algorithm follows a known approach for computing views from the smallest parent. The ADC stresses all levels of grid memory and storage by producing some of 2d views of an Arithmetic Data Set of d-tuples described by a small number of integers. We control data intensity of the ADC by selecting the tuple parameters, the sizes of the views, and the number of realized views. Benchmarking results of memory performance of a number of computer architectures and of a small computational grid are presented.

Frumkin, Michael A.↗

The organic redox transistor for neuromorphic computing

Inspired by the in-memory computing architectures of biological systems, neuromorphic computing using crossbar arrays of artificial synapses based on non-volatile memory (NVM) devices with variable conductances has emerged as a new paradigm to enable massively parallel and ultra-low power computing hardware for data centric applications. Although inference has been demonstrated successfully using crossbars based on a variety of NMV technologies, efficient learning and scaling to large arrays (>10 6 elements) remains a challenge due to the synaptic elements' non-ideal electrical characteristics which degrades ANN accuracy. A further challenge is that in the conductive state memristors draw large currents >μA resulting in significant voltage drops in the interconnect wires and increased probability of failure in scaled arrays. We suggest the organic polymer redox transistor (RT) is an alternate approach that could solve many of these challenges, enabling both inference and parallel outer product updates, as recently demonstrated by Fuller et al. An RT consists of redox-active channel and gate electrodes in contact with a liquid or solid electrolyte. lon insertion through the electrolyte controls the channel electronic conductivity, while electron transfer through an external circuit maintains overall charge neutrality. Unlike a rechargeable battery, in the RT the voltage built-up across the electrolyte is kept to a minimum (typically <100 mV) by using the same material for the gate and channel. Elimination of the voltage offset simplifies integration of the RT into programmable arrays by enabling the use of various selectors. RTs based on inorganic and organic materials have been recently demonstrated with conductance tuning occurring at potentials of just a few mV and hundreds to thousands of linearly and symmetrically programmable conductance states, enabling near ideal accuracy in neural network simulations. Introduced in the 1980's, redox transistors with metallic gate electrodes and organic channel materials, also known as organic electrochemical transistors (OECTs), have been explored for a variety of applications such as chem- and bio-sensing, neural interfaces, and low cost printed circuits. A typical channel material for OECTs is the conducting polymer poly(3,4-ethylenedioxythiophene) doped with poly(styrene sulfonate) (PEDOT:PSS). PEDOT is a p-type semiconducting polymer with mobile positively charged polarons that hop chain-to-chain.

Talin, Albert Alec↗

FPGA-Based, Self-Checking, Fault-Tolerant Computers

A proposed computer architecture would exploit the capabilities of commercially available field-programmable gate arrays (FPGAs) to enable computers to detect and recover from bit errors. The main purpose of the proposed architecture is to enable fault-tolerant computing in the presence of single-event upsets (SEUs). [An SEU is a spurious bit flip (also called a soft error) caused by a single impact of ionizing radiation.] The architecture would also enable recovery from some soft errors caused by electrical transients and, to some extent, from intermittent and permanent (hard) errors caused by aging of electronic components. A typical FPGA of the current generation contains one or more complete processor cores, memories, and highspeed serial input/output (I/O) channels, making it possible to shrink a board-level processor node to a single integrated-circuit chip. Custom, highly efficient microcontrollers, general-purpose computers, custom I/O processors, and signal processors can be rapidly and efficiently implemented by use of FPGAs. Unfortunately, FPGAs are susceptible to SEUs. Prior efforts to mitigate the effects of SEUs have yielded solutions that degrade performance of the system and require support from external hardware and software. In comparison with other fault-tolerant- computing architectures (e.g., triple modular redundancy), the proposed architecture could be implemented with less circuitry and lower power demand. Moreover, the fault-tolerant computing functions would require only minimal support from circuitry outside the central processing units (CPUs) of computers, would not require any software support, and would be largely transparent to software and to other computer hardware. There would be two types of modules: a self-checking processor module and a memory system (see figure). The self-checking processor module would be implemented on a single FPGA and would be capable of detecting its own internal errors. It would contain two CPUs executing identical programs in lock step, with comparison of their outputs to detect errors. It would also contain various cache local memory circuits, communication circuits, and configurable special-purpose processors that would use self-checking checkers. (The basic principle of the self-checking checker method is to utilize logic circuitry that generates error signals whenever there is an error in either the checker or the circuit being checked.) The memory system would comprise a main memory and a hardware-controlled check-pointing system (CPS) based on a buffer memory denoted the recovery cache. The main memory would contain random-access memory (RAM) chips and FPGAs that would, in addition to everything else, implement double-error-detecting and single-error-correcting memory functions to enable recovery from single-bit errors.

Some, Raphael↗

Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels

To address the challenge of performance portability and facilitate the implementation of electronic structure solvers, we developed the basic matrix library (BML) and Parallel, Rapid O(N), and Graph-based Recursive Electronic Structure Solver (PROGRESS) library. The BML implements linear algebra operations necessary for electronic structure kernels using a unified user interface for various matrix formats (dense and sparse) and architectures (CPUs and GPUs). Focusing on density functional theory and tight-binding models, PROGRESS implements several solvers for computing the single-particle density matrix and relies on BML. In this paper, we describe the general strategies used for these implementations on various computer architectures, using OpenMP target functionalities on GPUs, in conjunction with third-party libraries to handle performance critical numerical kernels. In this study, we demonstrate the portability of this approach and its performance in benchmark problems.

36 MATERIALS SCIENCE↗

Neuromorphic Graph Algorithms

Graph algorithms enable myriad large-scale applications including cybersecurity, social network analysis, resource allocation, and routing. The scalability of current graph algorithm implementations on conventional computing architectures are hampered by the demise of Moore’s law. We present a theoretical framework for designing and assessing the performance of graph algorithms executing in networks of spiking artificial neurons. Although spiking neural networks (SNNs) are capable of general-purpose computation, few algorithmic results with rigorous asymptotic performance analysis are known. SNNs are exceptionally well-motivated practically, as neuromorphic computing systems with 100 million spiking neurons are available, and systems with a billion neurons are anticipated in the next few years. Beyond massive parallelism and scalability, neuromorphic computing systems offer energy consumption orders of magnitude lower than conventional high-performance computing systems. We employ our framework to design and analyze new spiking algorithms for shortest path and dynamic programming problems. Our neuromorphic algorithms are message-passing algorithms relying critically on data movement for computation. For fair and rigorous comparison with conventional algorithms and architectures, which is challenging but paramount, we develop new models of data-movement in conventional computing architectures. This allows us to prove polynomial-factor advantages, even when we assume a SNN consisting of a simple grid-like network of neurons. To the best of our knowledge, this is one of the first examples of a rigorous asymptotic computational advantage for neuromorphic computing.

97 MATHEMATICS AND COMPUTING↗

Sensing and perception: Connectionist approaches to subcognitive computing

New approaches to machine sensing and perception are presented. The motivation for crossdisciplinary studies of perception in terms of AI and neurosciences is suggested. The question of computing architecture granularity as related to global/local computation underlying perceptual function is considered and examples of two environments are given. Finally, the examples of using one of the environments, UCLA PUNNS, to study neural architectures for visual function are presented.

Skrrypek, J.↗

A global distributed storage architecture

NSA architects and planners have come to realize that to gain the maximum benefit from, and keep pace with, emerging technologies, we must move to a radically different computing architecture. The compute complex of the future will be a distributed heterogeneous environment, where, to a much greater extent than today, network-based services are invoked to obtain resources. Among the rewards of implementing the services-based view are that it insulates the user from much of the complexity of our multi-platform, networked, computer and storage environment and hides its diverse underlying implementation details. In this paper, we will describe one of the fundamental services being built in our envisioned infrastructure; a global, distributed archive with near-real-time access characteristics. Our approach for adapting mass storage services to this infrastructure will become clear as the service is discussed.

Lionikis, Nemo M.↗