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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 487 records · Page 27

Parallel Particle Advection Bake-Off for Scientific Visualization Workloads

There are multiple algorithms for parallelizing particle advection for scientific visualization workloads. While many previous studies have contributed to the understanding of individual algorithms, our study aims to provide a holistic understanding of how algorithms perform relative to each other on various workloads. To accomplish this, we consider four popular parallelization algorithms and run a “bake-off” study (i.e., an empirical study) to identify the best matches for each. The study includes 216 tests, going to a concurrency of up to 8192 cores and considering data sets as large as 34 billion cells with 300 million particles. Overall, our study informs three important research questions: (1) which parallelization algorithms perform best for a given workload?, (2) why?, and (3) what are the unsolved problems in parallel particle advection? In terms of findings, we find that the seeding box is the most important factor in choosing the best algorithm, and also that there is a significant opportunity for improvement in execution time, scalability, and efficiency.

Pugmire, Dave↗

Quantum-assisted quantum compiling

Compiling quantum algorithms for near-term quantum computers (accounting for connectivity and native gate alphabets) is a major challenge that has received significant attention both by industry and academia. Avoiding the exponential overhead of classical simulation of quantum dynamics will allow compilation of larger algorithms, and a strategy for this is to evaluate an algorithm's cost on a quantum computer. To this end, we propose a variational hybrid quantum-classical algorithm called quantum-assisted quantum compiling (QAQC). In QAQC, we use the overlap between a target unitary U and a trainable unitary V as the cost function to be evaluated on the quantum computer. More precisely, to ensure that QAQC scales well with problem size, our cost involves not only the global overlap T r ( V † U ) but also the local overlaps with respect to individual qubits. We introduce novel short-depth quantum circuits to quantify the terms in our cost function, and we prove that our cost cannot be efficiently approximated with a classical algorithm under reasonable complexity assumptions. We present both gradient-free and gradient-based approaches to minimizing this cost. As a demonstration of QAQC, we compile various one-qubit gates on IBM's and Rigetti's quantum computers into their respective native gate alphabets. Furthermore, we successfully simulate QAQC up to a problem size of 9 qubits, and these simulations highlight both the scalability of our cost function as well as the noise resilience of QAQC. Future applications of QAQC include algorithm depth compression, black-box compiling, noise mitigation, and benchmarking.

97 MATHEMATICS AND COMPUTING↗

Deploying MARTe2 and MDSplus for Scalable Real-Time Control Systems: A Proof-of-Concept for the SMART Tokamak

The SMART tokamak is a spherical tokamak with flexible shaping that will need a modular and high-performance real-time control system. This work presents the implementation and validation of the MARTe2 framework at the Princeton Plasma Physics Laboratory (PPPL) as a testbed for supporting SMART (University of Seville, Spain). The system integrates MARTe2, MDSplus for data archiving, and user datagram protocol (UDP)-based communication with both synthetic and physical devices. A deterministic control loop was developed using custom control algorithms, showing the system’s ability to operate under strict real-time constraints. The resulting framework is scalable, maintainable, and adaptable to experimental tokamaks like SMART.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Learning Stochastic Parametric Differentiable Predictive Control Policies

We present a scalable unsupervised learning-based method for obtaining explicit control policies for model predictive control problems for stochastic linear systems with additive uncertainties subject to nonlinear chance constraints. We call the proposed method stochastic parametric differentiable predictive control (SP-DPC), which extends the recently proposed deterministic DPC policy optimization algorithm. We formulate the SP-DPC as a deterministic approximation to the stochastic parametric constrained optimal control problem via independent sampling of the problem's parameters and uncertainties. This formulation allows us to directly compute the policy gradients via automatic differentiation of the problem's value function, evaluated over sampled parameters and uncertainties. In particular, the computed expectation of the problem's value function is backpropagated through the finite-time closed-loop system rollouts parametrized by a known nominal system dynamics model and neural control policy. We also provide theoretical probabilistic guarantees on closed-loop stability and chance constraints satisfaction for systems controlled by learned neural policies. We demonstrate the computational efficiency and scalability of the proposed policy optimization algorithm in three numerical examples, including systems with a large number of states or subject to nonlinear constraints.

Drgona, Jan↗

Phoenix: A Scalable Streaming Hypergraph Analysis Framework

We present Phoenix, a scalable hypergraph analytics framework for data analytics and knowledge discovery that was implemented on the leadership class computing platforms at Oak Ridge National Laboratory (ORNL). Our software framework comprises a distributed implementation of a streaming server architecture which acts as a gateway for various hypergraph generators/external sources to connect. Phoenix has the capability to utilize diverse hypergraph generators, including HyGen, a very large-scale hypergraph generator developed by ORNL. Phoenix incorporates specific algorithms for efficient data representation by exploiting hidden structures of the hypergraphs. Our experimental results demonstrate Phoenix’s scalable and stable performance on massively parallel computing platforms. Phoenix’s superior performance is due to the merging of high-performance computing with data analytic.

Kurte, Kuldeep↗

Benchmarking the Performance of Neuromorphic and Spiking Neural Network Simulators

Software simulators play a critical role in the development of new algorithms and system architectures in any field of engineering. Neuromorphic computing, which has shown potential in building brain-inspired energy-efficient hardware, suffers a slow-down in the development cycle due to a lack of flexible and easy-to-use simulators of either neuromorphic hardware itself or of spiking neural networks (SNNs), the type of neural network computation executed on most neuromorphic systems. While there are several openly available neuromorphic or SNN simulation packages developed by a variety of research groups, they have mostly targeted computational neuroscience simulations, and only a few have targeted small-scale machine learning tasks with SNNs. Evaluations or comparisons of these simulators have often targeted computational neuroscience-style workloads. In this work, we seek to evaluate the performance of several publicly available SNN simulators with respect to non-computational neuroscience workloads, in terms of speed, flexibility, and scalability. We evaluate the performance of the NEST, Brian2, Brian2GeNN, BindsNET and Nengo packages under a common front-end neuromorphic framework. Our evaluation tasks include a variety of different network architectures and workload types to mimic the computation common in different algorithms, including feed-forward network inference, genetic algorithms, and reservoir computing. We also study the scalability of each of these simulators when running on different computing hardware, from single core CPU workstations to multi-node supercomputers. Our results show that the BindsNET simulator has the best speed and scalability for most of the SNN workloads (sparse, dense, and layered SNN architectures) on a single core CPU. However, when comparing the simulators leveraging the GPU capabilities, Brian2GeNN outperforms the others for these workloads in terms of scalability. NEST performs the best for small sparse networks and is also the most flexible simulator in terms of reconfiguration capability NEST shows a speedup of at least 2x compared to the other packages when running evolutionary algorithms for SNNs. The multi-node and multi-thread capabilities of NEST show at least 2x speedup compared to the rest of the simulators (single core CPU or GPU based simulators) for large and sparse networks. We conclude our work by providing a set of recommendations on the suitability of employing these simulators for different tasks and scales of operations. We also present the characteristics for a future generic ideal SNN simulator for different neuromorphic computing workloads.

97 MATHEMATICS AND COMPUTING↗

Incremental Interval Assignment (IIA) for Scalable Mesh Preparation

Interval Assignment (IA) means selecting the number of mesh edges for each CAD curve. IIA is a discrete algorithm over integers. A priority queue iteratively selects compatible sets of intervals to increase in lock-step by integers. In contrast, the current capability in Cubit is floating-point Linear Programming with Branch-and-Bound for integerization (BBIA).

97 MATHEMATICS AND COMPUTING↗

Locally purified maximally mixed states at scale: Entanglement pruning and symmetries

Locally Purified Density Operators (LPDOs) are state-of-the-art tensor network ansatze candidates that efficiently represent mixed quantum states at scale. However, given their non-uniqueness, their representational complexity is generally sub-optimal in practical computations. Here, in this work we perform a comprehensive numerical and analytical analysis and resolve this issue in the experimentally relevant limit where noise depolarizes the density operator into a maximally mixed state. To resolve the sub-optimality issue, we analyze two numerical tools, one analytic method, and detail the relations between them. The numerical tools used are fidelity-preserving truncations and isometric gauge transformations leveraging Riemannian optimizations over entropic objective functions. In addition, by invoking the injectivity and symmetry constraints of the maximally mixed LPDO, we also present analytical closed-form expressions for the disentangler and discuss their relation to numerical optimizers. Further, away from the maximally mixed state, our simulations highlight how the truncation threshold smoothly interpolate, as a function of depolarization, between established matrix product results and our new results. Our work shows how, by minimizing the resources required to represent key states of practical interest in experiment, the efficiency of tensor network algorithms can be substantially increased. This paves the path for uncovering tensor network’s fundamental scalability limits and latent potential in representing the wide locus of mixed quantum states that are accessible on near-term quantum devices.

Gangapuram, Amit Jamadagni [Oak Ridge National Lab↗

Advanced Quantum Poisson Solver in the NISQ era

The Poisson equation has many applications across the broad areas of science and engineering. Most quantum algorithms for the Poisson solver presented so far, either suffer from lack of accuracy and/or are limited to very small sizes of the problem, and thus have no practical usage. Here we present an advanced quantum algorithm for solving the Poisson equation with high accuracy and dynamically tunable problem size. After converting the Poisson equation to the linear systems through the finite difference method, we adopt the Harrow-Hassidim-Lloyd (HHL) algorithm as the basic framework. Particularly, in this work we present an advanced circuit that ensures the accuracy of the solution by implementing non-truncated eigenvalues through eigenvalue amplification as well as by increasing the accuracy of the controlled rotation angular coefficients, which are the critical factors in the HHL algorithm. We show that our algorithm not only increases the accuracy of the solutions, but also composes more practical and scalable circuits by dynamically controlling problem size in the NISQ devices. We present both simulated and experimental results, and discuss the sources of errors. Finally, we conclude that overall results on the quantum hardware are dominated by the error in the CNOT gates.

Robson, Walter↗

Decentralized Collaborative Learning with Probabilistic Data Protection

We discuss future directions of Blockchain as a collaborative value co-creation platform, in which network participants can gain extra insights that cannot be accessed when disconnected from the others. As such, we propose a decentralized machine learning framework that is carefully designed to respect the values of democracy, diversity, and privacy. Specifically, we propose a federated multi-task learning framework that integrates a privacy-preserving dynamic consensus algorithm. We show that a specific network topology called the expander graph dramatically improves the scalability of global consensus building. We conclude the paper by making some remarks on open problems.

Ide, Tsuyoshi↗

Scalable Causal Graph Learning through a Deep Neural Network

Learning the causal graph in a complex system is crucial for knowledge discovery and decision making, yet it remains a challenging problem because of the unknown nonlinear interaction among system components. Most of the existing methods either rely on predefined kernel or data distribution, or they focus simply on the causality between a single target and the remaining system. This work presents a deep neural network for scalable causal graph learning (SCGL) through low-rank approximation. The SCGL model can explore nonlinearity on both temporal and intervariable relationships without any predefined kernel or distribution assumptions. Through low-rank approximation, the noise influence is reduced, and better accuracy and high scalability are achieved. Experiments using synthetic and real-world datasets show that our SCGL algorithm outperforms existing state-of-the-art methods for causal graph learning.

97 MATHEMATICS AND COMPUTING↗

Minimal Energy Routing of a Leader and a Wingmate with Periodic Connectivity

We consider a route planning problem in which two unmanned vehicles are required to complete a set of tasks present at distinct locations, referred to as targets, with minimum energy consumption. The mission environment is hazardous, and to ensure a safe operation, the UVs are required to communicate with each other at every target they visit. The problem objective is to determine the allocation of the tasks to the UVs and plan tours for the UVs to visit the targets such that the weighted sum of the distances traveled by the UVs and the distances traveled by the communicating signals between them is minimized. We formulate this problem as an Integer program and show that naively solving the problem using commercially available off-the-shelf solvers is insufficient in determining scalable solutions efficiently. To address this computational challenge, we develop an approximation and a heuristic algorithm, and employ them to compute high-quality solutions to a special case of the problem where equal weights are assigned to the distances traveled by the vehicles and the communicating signals. For this special case, we show that the approximation algorithm has a fixed approximation ratio of 3.75. We also develop lower bounds to the optimal cost of the problem to evaluate the performance of these algorithms on large-scale instances. We demonstrate the performance of these algorithms on 500 randomly generated instances with the number of targets ranging from 6 to 100, and show that the algorithms provide high-quality solutions to the problem swiftly; the average computation time of the algorithmic solutions is within a fraction of a second for instances with at most 100 targets. Finally, we show that the approximation ratio has a variable ratio for the weighted case of the problem. Specifically, if ρ denotes the ratio of the weights assigned to the distances representing the communication and travel costs, the algorithm has an a posteriori ratio of $3 + \frac{3ρ}{4}$ when ρ ≥ 1, and $\frac{3}{ρ}$ + $\frac{3}{4}$ when ρ ≤ 1.

42 ENGINEERING↗

Progress in the Simulation of Steady and Time-Dependent Flows with 3D Parallel Unstructured Cartesian Methods

The proposed paper will present recent extensions in the development of an efficient Euler solver for adaptively-refined Cartesian meshes with embedded boundaries. The paper will focus on extensions of the basic method to include solution adaptation, time-dependent flow simulation, and arbitrary rigid domain motion. The parallel multilevel method makes use of on-the-fly parallel domain decomposition to achieve extremely good scalability on large numbers of processors, and is coupled with an automatic coarse mesh generation algorithm for efficient processing by a multigrid smoother. Numerical results are presented demonstrating parallel speed-ups of up to 435 on 512 processors. Solution-based adaptation may be keyed off truncation error estimates using tau-extrapolation or a variety of feature detection based refinement parameters. The multigrid method is extended to for time-dependent flows through the use of a dual-time approach. The extension to rigid domain motion uses an Arbitrary Lagrangian-Eulerlarian (ALE) formulation, and results will be presented for a variety of two- and three-dimensional example problems with both simple and complex geometry.

Aftosmis, M. J.↗

Linear Static Structural and Vibration Analysis on High-Performance Computers

Parallel computers offer the opportunity to significantly reduce the computation time necessary to analyze large-scale aerospace structures. This paper presents algorithms developed for and implemented on a massively-parallel computers hereafter referred to as Scalable High Performance Computers (SHPC) for the most computationally intensive tasks involved in structural analysis, namely, generation and assembly of system matrices, solution of systems of equations and calculation of the eigenvalues and eigenvectors. Results on SHPC are presented for large-scale structural problems (i.e. Models of high speed civil transport). The goal of this research is to develop new efficient technique which extend structural analysis to SHPC and make large-scale structural analyses tractable.

Baddourah, Majdi↗

Processing NASA Earth Science Data on Nebula Cloud

Three applications were successfully migrated to Nebula, including S4PM, AIRS L1/L2 algorithms, and Giovanni MAPSS. Nebula has some advantages compared with local machines (e.g. performance, cost, scalability, bundling, etc.). Nebula still faces some challenges (e.g. stability, object storage, networking, etc.). Migrating applications to Nebula is feasible but time consuming. Lessons learned from our Nebula experience will benefit future Cloud Computing efforts at GES DISC.

Chen, Aijun↗

Development of a Robust and Efficient Parallel Solver for Unsteady Turbomachinery Flows

The traditional design and analysis practice for advanced propulsion systems relies heavily on expensive full-scale prototype development and testing. Over the past decade, use of high-fidelity analysis and design tools such as CFD early in the product development cycle has been identified as one way to alleviate testing costs and to develop these devices better, faster and cheaper. In the design of advanced propulsion systems, CFD plays a major role in defining the required performance over the entire flight regime, as well as in testing the sensitivity of the design to the different modes of operation. Increased emphasis is being placed on developing and applying CFD models to simulate the flow field environments and performance of advanced propulsion systems. This necessitates the development of next generation computational tools which can be used effectively and reliably in a design environment. The turbomachinery simulation capability presented here is being developed in a computational tool called Loci-STREAM [1]. It integrates proven numerical methods for generalized grids and state-of-the-art physical models in a novel rule-based programming framework called Loci [2] which allows: (a) seamless integration of multidisciplinary physics in a unified manner, and (b) automatic handling of massively parallel computing. The objective is to be able to routinely simulate problems involving complex geometries requiring large unstructured grids and complex multidisciplinary physics. An immediate application of interest is simulation of unsteady flows in rocket turbopumps, particularly in cryogenic liquid rocket engines. The key components of the overall methodology presented in this paper are the following: (a) high fidelity unsteady simulation capability based on Detached Eddy Simulation (DES) in conjunction with second-order temporal discretization, (b) compliance with Geometric Conservation Law (GCL) in order to maintain conservative property on moving meshes for second-order time-stepping scheme, (c) a novel cloud-of-points interpolation method (based on a fast parallel kd-tree search algorithm) for interfaces between turbomachinery components in relative motion which is demonstrated to be highly scalable, and (d) demonstrated accuracy and parallel scalability on large grids (approx 250 million cells) in full turbomachinery geometries.

West, Jeff↗

Space Network Time Distribution and Synchronization Protocol Development for Mars Proximity Link

Time distribution and synchronization in deep space network are challenging due to long propagation delays, spacecraft movements, and relativistic effects. Further, the Network Time Protocol (NTP) designed for terrestrial networks may not work properly in space. In this work, we consider the time distribution protocol based on time message exchanges similar to Network Time Protocol (NTP). We present the Proximity-1 Space Link Interleaved Time Synchronization (PITS) algorithm that can work with the CCSDS Proximity-1 Space Data Link Protocol. The PITS algorithm provides faster time synchronization via two-way time transfer over proximity links, improves scalability as the number of spacecraft increase, lowers storage space requirement for collecting time samples, and is robust against packet loss and duplication which underlying protocol mechanisms provide.

In Situ Time Distribution↗

Integrated Transmission-Distribution Multi-Period Switching for Wildfire Risk Mitigation: Improving Speed and Scalability with Distributed Optimization: Preprint

With increasingly severe wildfire conditions driven by climate change, utilities must manage the risk of wildfire ignitions from electric power lines. During "public safety power shutoff'" events, utilities de-energize power lines to reduce wildfire ignition risk, which may result in load shedding. Distributed energy resources provide flexibility that can help support the system to reduce load shedding when lines are de-energized. We investigate a coordinated transmission-distribution optimization problem that balances wildfire risk mitigation and load shedding. We model distribution systems that include battery energy storage systems which may support loads when transmission lines are de-energized. This multi-period integrated transmission-distribution optimal switching problem jointly optimizes line switching decisions, the generators' setpoints, load shedding, and the batteries' states of charge, resulting in significant computational challenges. To improve scalability, we decompose the problem over both space and time and apply a distributed optimization algorithm. Using a large-scale synthetic California test case with realistic distribution models and real wildfire risk data, we show that distributed optimization can solve large-scale multi-period switching problems that are otherwise intractable for centralized solvers. We also discuss challenges and future directions for improving the distributed algorithm's convergence performance as the number of time periods increases.

24 POWER TRANSMISSION AND DISTRIBUTION↗