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NASA NTRS2006

Compressing Image Data While Limiting the Effects of Data Losses

ICER is computer software that can perform both lossless and lossy compression and decompression of gray-scale-image data using discrete wavelet transforms. Designed for primary use in transmitting scientific image data from distant spacecraft to Earth, ICER incorporates an error-containment scheme that limits the adverse effects of loss of data and is well suited to the data packets transmitted by deep-space probes. The error-containment scheme includes utilization of the algorithm described in "Partitioning a Gridded Rectangle Into Smaller Rectangles " (NPO-30479), NASA Tech Briefs, Vol. 28, No. 7 (July 2004), page 56. ICER has performed well in onboard compression of thousands of images transmitted from the Mars Exploration Rovers.

Kiely, Aaron↗

NASA NTRS1993

Experience with parametric binary dissection

Parametric Binary Dissection (PBD) is a new algorithm that can be used for partitioning graphs embedded in 2- or 3-dimensional space. It partitions explicitly on the basis of nodes + (lambda)x(edges cut), where lambda is the ratio of time to communicate over an edge to the time to compute at a node. The new algorithm is faster than the original binary dissection algorithm and attempts to obtain better partitions than the older algorithm, which only takes nodes into account. The performance of parametric dissection with plain binary dissection on 3 large unstructured 3-d meshes obtained from computational fluid dynamics and on 2 random graphs were compared. It was showm that the new algorithm can usually yield partitions that are substantially superior, but that its performance is heavily dependent on the input data.

Bokhari, Shahid H.↗

NASA NTRS1993

Parametric binary dissection

Binary dissection is widely used to partition non-uniform domains over parallel computers. This algorithm does not consider the perimeter, surface area, or aspect ratio of the regions being generated and can yield decompositions that have poor communication to computation ratio. Parametric Binary Dissection (PBD) is a new algorithm in which each cut is chosen to minimize load + lambda x(shape). In a 2 (or 3) dimensional problem, load is the amount of computation to be performed in a subregion and shape could refer to the perimeter (respectively surface) of that subregion. Shape is a measure of communication overhead and the parameter permits us to trade off load imbalance against communication overhead. When A is zero, the algorithm reduces to plain binary dissection. This algorithm can be used to partition graphs embedded in 2 or 3-d. Load is the number of nodes in a subregion, shape the number of edges that leave that subregion, and lambda the ratio of time to communicate over an edge to the time to compute at a node. An algorithm is presented that finds the depth d parametric dissection of an embedded graph with n vertices and e edges in O(max(n log n, de)) time, which is an improvement over the O(dn log n) time of plain binary dissection. Parallel versions of this algorithm are also presented; the best of these requires O((n/p) log(sup 3)p) time on a p processor hypercube, assuming graphs of bounded degree. How PBD is applied to 3-d unstructured meshes and yields partitions that are better than those obtained by plain dissection is described. Its application to the color image quantization problem is also discussed, in which samples in a high-resolution color space are mapped onto a lower resolution space in a way that minimizes the color error.

Bokhari, Shahid H.↗

DOE OSTI2016

Point-in-convex polygon and point-in-convex polyhedron algorithms with O(1) complexity using space subdivision

There are many space subdivision and space partitioning techniques used in many algorithms to speed up computations. They mostly rely on orthogonal space subdivision, resp. using hierarchical data structures, e.g. BSP trees, quadtrees, octrees, kd-trees, bounding volume hierarchies etc. However in some applications a non-orthogonal space subdivision can offer new ways for actual speed up. In the case of convex polygon in E{sup 2} a simple Point-in-Polygon test is of the O(N) complexity and the optimal algorithm is of O(log N) computational complexity. In the E{sup 3} case, the complexity is O(N) even for the convex polyhedron as no ordering is defined. New Point-in-Convex Polygon and Point-in-Convex Polyhedron algorithms are presented based on space subdivision in the preprocessing stage resulting to O(1) run-time complexity. The presented approach is simple to implement. Due to the principle of duality, dual problems, e.g. line-convex polygon, line clipping, can be solved in a similarly.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Hierarchical Network Partitioning for Solution of Potential-Driven, Steady-State Nonlinear Network Flow Equations

The solution of potential-driven steady-state flow in large networks is a task which manifests in various engineering applications, such as transport of natural gas or water through pipeline networks. The resultant system of nonlinear equations depends on the network topology, and in general, there is no numerical algorithm that offers guaranteed convergence to the solution (assuming a solution exists). Some methods offer guarantees in cases where the network topology satisfies certain assumptions, but these methods fail for larger networks. On the other hand, the Newton-Raphson algorithm offers a convergence guarantee if the starting point lies close to the (unknown) solution. It would be advantageous to compute the solution of the large nonlinear system through the solution of smaller nonlinear sub-systems wherein the solution algorithms (Newton-Raphson or otherwise) are more likely to succeed. Here, this letter proposes and describes such a procedure, a hierarchical network partitioning algorithm that enables the solution of large nonlinear systems corresponding to potential-driven steady-state network flow equations.

42 ENGINEERING↗

DOE OSTI2019

Immersed Boundary Method Halo Exchange in a Hemodynamics Application

In recent years, highly parallelized simulations of blood flow resolving individual blood cells have been demonstrated. Simulating such dense suspensions of deformable particles in flow often involves a partitioned fluid-structure interaction (FSI) algorithm, with separate solvers for Eulerian fluid and Lagrangian cell grids, plus a solver - e.g., immersed boundary method - for their interaction. Managing data motion in parallel FSI implementations is increasingly important, particularly for inhomogeneous systems like vascular geometries. In this study, we evaluate the influence of Eulerian and Lagrangian halo exchanges on efficiency and scalability of a partitioned FSI algorithm for blood flow. We describe an MPI+OpenMP implementation of the immersed boundary method coupled with lattice Boltzmann and finite element methods. We consider how communication and recomputation costs influence the optimization of halo exchanges with respect to three factors: immersed boundary interaction distance, cell suspension density, and relative fluid/cell solver costs.

Gounley, John↗

DOE OSTI2017

A multi-scale network method for two-phase flow in porous media

Pore-network models of porous media are useful in the study of pore-scale flow in porous media. In order to extract macroscopic properties from flow simulations in pore-networks, it is crucial the networks are large enough to be considered representative elementary volumes. However, existing two-phase network flow solvers are limited to relatively small domains. For this purpose, a multi-scale pore-network (MSPN) method, which takes into account flow-rate effects and can simulate larger domains compared to existing methods, was developed. In our solution algorithm, a large pore network is partitioned into several smaller sub-networks. The algorithm to advance the fluid interfaces within each subnetwork consists of three steps. First, a global pressure problem on the network is solved approximately using the multiscale finite volume (MSFV) method. Next, the fluxes across the subnetworks are computed. Lastly, using fluxes as boundary conditions, a dynamic two-phase flow solver is used to advance the solution in time. Simulation results of drainage scenarios at different capillary numbers and unfavourable viscosity ratios are presented and used to validate the MSPN method against solutions obtained by an existing dynamic network flow solver.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1977

An application of the square root information filter to large scale linear interconnected systems

It is demonstrated that use of the square root information filter (SRIF) can reduce the storage and computation required for estimation of certain classes of large-scale interconnected systems. The SRIF uses an information array that is related to the Kalman filter covariance and estimate. The SRIF algorithm, which is optimal, is a direct application of matrix partitioning to some optimal filtering algorithms described in the literature. The SRIF algorithm is able to reduce the storage requirements of a 40-subsystem 10-state problem by a full order of magnitude.

Bierman, G. J.↗

DOE OSTI2021

A Fast Algorithm for Scanning Transmission Electron Microscopy Imaging and 4D-STEM Diffraction Simulations

Scanning transmission electron microscopy (STEM) is an extremely versatile method for studying materials on the atomic scale. Many STEM experiments are supported or validated with electron scattering simulations. However, using the conventional multislice algorithm to perform these simulations can require extremely large calculation times, particularly for experiments with millions of probe positions as each probe position must be simulated independently. Recently, the plane-wave reciprocal-space interpolated scattering matrix (PRISM) algorithm was developed to reduce calculation times for large STEM simulations. Here, we introduce a new method for STEM simulation: partitioning of the STEM probe into “beamlets,” given by a natural neighbor interpolation of the parent beams. This idea is compatible with PRISM simulations and can lead to even larger improvements in simulation time, as well requiring significantly less computer random access memory (RAM). We have performed various simulations to demonstrate the advantages and disadvantages of partitioned PRISM STEM simulations. We find that this new algorithm is particularly useful for 4D-STEM simulations of large fields of view. We also provide a reference implementation of the multislice, PRISM, and partitioned PRISM algorithms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Mesoscopic-microscopic spatial stochastic simulation with automatic system partitioning

The reaction-diffusion master equation (RDME) is a model that allows for efficient on-lattice simulation of spatially resolved stochastic chemical kinetics. Compared to off-lattice hard-sphere simulations with Brownian dynamics or Green’s function reaction dynamics, the RDME can be orders of magnitude faster if the lattice spacing can be chosen coarse enough. However, strongly diffusion-controlled reactions mandate a very fine mesh resolution for acceptable accuracy. It is common that reactions in the same model differ in their degree of diffusion control and therefore require different degrees of mesh resolution. This renders mesoscopic simulation inefficient for systems with multiscale properties. Mesoscopic-microscopic hybrid methods address this problem by resolving the most challenging reactions with a microscale, off-lattice simulation. However, all methods to date require manual partitioning of a system, effectively limiting their usefulness as “black-box” simulation codes. In this paper, we propose a hybrid simulation algorithm with automatic system partitioning based on indirect a priori error estimates. We demonstrate the accuracy and efficiency of the method on models of diffusion-controlled networks in 3D.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Partitioning and Communication Strategies for Sparse Non-negative Matrix Factorization

Non-negative matrix factorization (NMF), the problem of finding two non-negative low-rank factors whose product approximates an input matrix, is a useful tool for many data mining and scientific applications such as topic modeling in text mining and unmixing in microscopy. In this paper, we focus on scaling algorithms for NMF to very large sparse datasets and massively parallel machines by employing effective algorithms, communication patterns, and partitioning schemes that leverage the sparsity of the input matrix. We consider two previous works developed for related problems, one that uses a fine-grained partitioning strategy using a point-to-point communication pattern and one that uses a Cartesian, or checkerboard, partitioning strategy using a collective-based communication pattern. We show that a combination of the previous approaches balances the demands of the various computations within NMF algorithms and achieves high efficiency and scalability. From the experiments, we see that our proposed strategy runs up to 10x faster than the state of the art on real-world datasets.

Kaya, Oguz↗

NASA NTRS1993

Multiphase complete exchange: A theoretical analysis

Complete Exchange requires each of N processors to send a unique message to each of the remaining N-1 processors. For a circuit switched hypercube with N = 2(sub d) processors, the Direct and Standard algorithms for Complete Exchange are optimal for very large and very small message sizes, respectively. For intermediate sizes, a hybrid Multiphase algorithm is better. This carries out Direct exchanges on a set of subcubes whose dimensions are a partition of the integer d. The best such algorithm for a given message size m could hitherto only be found by enumerating all partitions of d. The Multiphase algorithm is analyzed assuming a high performance communication network. It is proved that only algorithms corresponding to equipartitions of d (partitions in which the maximum and minimum elements differ by at most 1) can possibly be optimal. The run times of these algorithms plotted against m form a hull of optimality. It is proved that, although there is an exponential number of partitions, (1) the number of faces on this hull is Theta(square root of d), (2) the hull can be found in theta(square root of d) time, and (3) once it has been found, the optimal algorithm for any given m can be found in Theta(log d) time. These results provide a very fast technique for minimizing communication overhead in many important applications, such as matrix transpose, Fast Fourier transform, and ADI.

Bokhari, Shahid H.↗

DOE OSTI2026

Distributed Tomographic Reconstruction with Quantization

Conventional tomographic reconstruction typically depends on centralized servers for both data storage and computation, leading to concerns about memory limitations and data privacy. Distributed reconstruction algorithms mitigate these issues by partitioning data across multiple nodes, reducing server load and enhancing privacy. However, these algorithms often encounter challenges related to memory constraints and communication overhead between nodes. In this paper, we introduce a decentralized Alternating Directions Method of Multipliers (ADMM) with configurable quantization. By distributing local objectives across nodes, our approach is highly scalable and can efficiently reconstruct images while adapting to available resources. To overcome communication bottlenecks, we propose two quantization techniques based on K-means clustering and JPEG compression. Numerical experiments with benchmark images illustrate the tradeoffs between communication efficiency, memory use, and reconstruction accuracy.

Miao, Runxuan↗

DOE OSTI2018

Decomposition of Nonlinear Dynamical Systems Using Koopman Gramians

In this paper we propose a new Koopman operator approach for nonlinear model decomposition using Koopman gramians. We introduce Koopman operators and discuss the notion of a input-Koopman operator. We show how input-Koopman operators can be used to cast a nonlinear system into the classical state-space form, as well as conditions under which input and state observable functions are well separated. We extend an existing method of dynamic mode decomposition for learning Koopman operators from data known as deep dynamic mode decomposition, for systems with control or disturbances. We illustrate the accuracy of the method on learning an input-state separable Koopman operator for an example system, even when the underlying system exhibits mixed state-input terms. Finally, we introduce a nonlinear decomposition algorithm, based on Koopman gramians, that maximizes internal subsystem observability and disturbance rejection from unwanted noise in other subsystems. To relieve the NP-hardness of the decomposition problem, we derive a relaxation based on Koopman gramians and multi-way partitioning. We illustrate our algorithm on a swing dynamics model for a IEEE 39 bus and discuss our findings.

Learning, Control, Distributed Control, koopman op↗

DOE OSTI2016

Task Parallel Incomplete Cholesky Factorization using 2D Partitioned-Block Layout

We introduce a task-parallel algorithm for sparse incomplete Cholesky factorization that utilizes a 2D sparse partitioned-block layout of a matrix. Our factorization algorithm follows the idea of algorithms-by-blocks by using the block layout. The algorithm-byblocks approach induces a task graph for the factorization. These tasks are inter-related to each other through their data dependences in the factorization algorithm. To process the tasks on various manycore architectures in a portable manner, we also present a portable tasking API that incorporates different tasking backends and device-specific features using an open-source framework for manycore platforms i.e., Kokkos. A performance evaluation is presented on both Intel Sandybridge and Xeon Phi platforms for matrices from the University of Florida sparse matrix collection to illustrate merits of the proposed task-based factorization. Experimental results demonstrate that our task-parallel implementation delivers about 26.6x speedup (geometric mean) over single-threaded incomplete Choleskyby- blocks and 19.2x speedup over serial Cholesky performance which does not carry tasking overhead using 56 threads on the Intel Xeon Phi processor for sparse matrices arising from various application problems.

2D layout↗

NASA NTRSDate not supplied

Molecular dynamics simulation of effects of solutes on dislocation propagation in Ni-based superalloys

Ni-based superalloys are used in the hot sections of jet turbine engines because of their high strength, stability and resistance to oxidation. The properties of these alloys can be further optimized by adding alloying elements. Therefore, a fundamental knowledge on the effect of different elements on properties of Ni-based superalloys is required. Molecular dynamics simulation could shed light here but its application is hindered by the absence of reliable and computationally cheap semi-empirical potential of the interatomic interaction for 4 and more element alloys. We will present a new Ni-Al-Cr-Nb Finnis-Sinclair (FS) potential specially designed to simulate the dislocation propagation from to  phase. In order to construct this potential, we designed a special algorithm to incorporate the data on element partitioning in the potential development procedure. For example, it is known from experiment, that Cr is mostly present in the gamma phase. Figure 1 shows a snapshot obtained after equilibration of the model of the Ni68Al17Cr15 alloy at T=1000 K using the hybrid Monte-Carlo (MC)/molecular dynamics (MD) simulation with the developed semi-empirical potential. One can clearly see that the Cr partitioning is in agreement with the experimental data. We will discuss the developed algorithm to incorporate the solute partition data in details. Using the developed semi-empirical potential, we first investigated the effect of anti-site defects in the  phase on the single dislocation propagation. It was found that the dislocation velocity increases with the increasing of the anti-site defect concentration. This effect was attributed to smaller number of Al-Al pairs forming during the dislocation migration in the presence of the anti-site defects. Next, we investigated the effect of Nb on the dislocation pair propagation in the Kolbe mechanism. It was found that the addition of Nb leads to considerable decrease in the dislocation propagation rate. This is in agreement with the experimental data on the effect of Nb on the creep resistance of the Ni-based superalloys. We will discuss the origin of this effect.

Mikhail I. Mendelev↗

NASA NTRS1993

A new clustering algorithm applicable to multispectral and polarimetric SAR images

We describe an application of a scale-space clustering algorithm to the classification of a multispectral and polarimetric SAR image of an agricultural site. After the initial polarimetric and radiometric calibration and noise cancellation, we extracted a 12-dimensional feature vector for each pixel from the scattering matrix. The clustering algorithm was able to partition a set of unlabeled feature vectors from 13 selected sites, each site corresponding to a distinct crop, into 13 clusters without any supervision. The cluster parameters were then used to classify the whole image. The classification map is much less noisy and more accurate than those obtained by hierarchical rules. Starting with every point as a cluster, the algorithm works by melting the system to produce a tree of clusters in the scale space. It can cluster data in any multidimensional space and is insensitive to variability in cluster densities, sizes and ellipsoidal shapes. This algorithm, more powerful than existing ones, may be useful for remote sensing for land use.

Wong, Yiu-Fai↗

DOE OSTI2019

New Tabu Algorithm for Positioning Mining Drillholes with Blocks Uncertainty

This paper proposes a new approach to the mining exploration drillholes positioning problem (DPP) that incorporates both geostatistical and optimization techniques. A metaheuristic was developed to solve the DPP taking into account an uncertainty index that quantifies the reliability of the current interpretation of the mineral deposit. The uncertainty index was calculated from multiple deposit realizations obtained by truncated Gaussian simulations conditional to the available drillholes samplings. A linear programming model was defined to select the subset of future drillholes that maximizes coverage of the uncertainty. A Tabu Search algorithm was developed to solve large instances of this set partitioning problem. The proposed Tabu Search algorithm is shown to provide good quality solutions approaching 95% of the optimal solution in a reasonable computing time, allowing close to optimal coverage of uncertainty for a fixed investment in drilling.

58 GEOSCIENCES↗