PT-Scotch: A tool for efficient parallel graph ordering

The parallel ordering of large graphs is a difficult problem, because on the one hand minimum degree algorithms do not parallelize well, and on the other hand the obtainment of high quality orderings with the nested dissection algorithm requires efficient graph bipartitioning heuristics, the best sequential implementations of which are also hard to parallelize. This paper presents a set of algorithms, implemented in the PT-Scotch software package, which allows one to order large graphs in parallel, yielding orderings the quality of which is only slightly worse than the one of state-of-the-art sequential algorithms. Our implementation uses the classical nested dissection approach but relies on several novel features to solve the parallel graph bipartitioning problem. Thanks to these improvements, PT-Scotch produces consistently better orderings than ParMeTiS on large numbers of processors

A Direct Multigrid Poisson Solver for Oct-Tree Adaptive Meshes

We describe a finite-volume method for solving the Poisson equation on oct-tree adaptive meshes using direct solvers for individual mesh blocks. The method is a modified version of the method presented by Huang and Greengard (2000), which works with finite-difference meshes and does not allow for shared boundaries between refined patches. Our algorithm is implemented within the FLASH code framework and makes use of the PARAMESH library, permitting efficient use of parallel computers. We describe the algorithm and present test results that demonstrate its accuracy.Comment: 10 pages, 6 figures, accepted by the Astrophysical Journal; minor revisions in response to referee's comments; added char

MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation

MADNESS (multiresolution adaptive numerical environment for scientific simulation) is a high-level software environment for solving integral and differential equations in many dimensions that uses adaptive and fast harmonic analysis methods with guaranteed precision based on multiresolution analysis and separated representations. Underpinning the numerical capabilities is a powerful petascale parallel programming environment that aims to increase both programmer productivity and code scalability. This paper describes the features and capabilities of MADNESS and briefly discusses some current applications in chemistry and several areas of physics

A Fast Parallel Poisson Solver on Irregular Domains Applied to Beam Dynamic Simulations

We discuss the scalable parallel solution of the Poisson equation within a Particle-In-Cell (PIC) code for the simulation of electron beams in particle accelerators of irregular shape. The problem is discretized by Finite Differences. Depending on the treatment of the Dirichlet boundary the resulting system of equations is symmetric or `mildly' nonsymmetric positive definite. In all cases, the system is solved by the preconditioned conjugate gradient algorithm with smoothed aggregation (SA) based algebraic multigrid (AMG) preconditioning. We investigate variants of the implementation of SA-AMG that lead to considerable improvements in the execution times. We demonstrate good scalability of the solver on distributed memory parallel processor with up to 2048 processors. We also compare our SAAMG-PCG solver with an FFT-based solver that is more commonly used for applications in beam dynamics

Partitioning Complex Networks via Size-constrained Clustering

The most commonly used method to tackle the graph partitioning problem in practice is the multilevel approach. During a coarsening phase, a multilevel graph partitioning algorithm reduces the graph size by iteratively contracting nodes and edges until the graph is small enough to be partitioned by some other algorithm. A partition of the input graph is then constructed by successively transferring the solution to the next finer graph and applying a local search algorithm to improve the current solution. In this paper, we describe a novel approach to partition graphs effectively especially if the networks have a highly irregular structure. More precisely, our algorithm provides graph coarsening by iteratively contracting size-constrained clusterings that are computed using a label propagation algorithm. The same algorithm that provides the size-constrained clusterings can also be used during uncoarsening as a fast and simple local search algorithm. Depending on the algorithm's configuration, we are able to compute partitions of very high quality outperforming all competitors, or partitions that are comparable to the best competitor in terms of quality, hMetis, while being nearly an order of magnitude faster on average. The fastest configuration partitions the largest graph available to us with 3.3 billion edges using a single machine in about ten minutes while cutting less than half of the edges than the fastest competitor, kMetis

Multilevel Weighted Support Vector Machine for Classification on Healthcare Data with Missing Values

This work is motivated by the needs of predictive analytics on healthcare data as represented by Electronic Medical Records. Such data is invariably problematic: noisy, with missing entries, with imbalance in classes of interests, leading to serious bias in predictive modeling. Since standard data mining methods often produce poor performance measures, we argue for development of specialized techniques of data-preprocessing and classification. In this paper, we propose a new method to simultaneously classify large datasets and reduce the effects of missing values. It is based on a multilevel framework of the cost-sensitive SVM and the expected maximization imputation method for missing values, which relies on iterated regression analyses. We compare classification results of multilevel SVM-based algorithms on public benchmark datasets with imbalanced classes and missing values as well as real data in health applications, and show that our multilevel SVM-based method produces fast, and more accurate and robust classification results.Comment: arXiv admin note: substantial text overlap with arXiv:1503.0625

Parallel Graph Partitioning for Complex Networks

Processing large complex networks like social networks or web graphs has recently attracted considerable interest. In order to do this in parallel, we need to partition them into pieces of about equal size. Unfortunately, previous parallel graph partitioners originally developed for more regular mesh-like networks do not work well for these networks. This paper addresses this problem by parallelizing and adapting the label propagation technique originally developed for graph clustering. By introducing size constraints, label propagation becomes applicable for both the coarsening and the refinement phase of multilevel graph partitioning. We obtain very high quality by applying a highly parallel evolutionary algorithm to the coarsened graph. The resulting system is both more scalable and achieves higher quality than state-of-the-art systems like ParMetis or PT-Scotch. For large complex networks the performance differences are very big. For example, our algorithm can partition a web graph with 3.3 billion edges in less than sixteen seconds using 512 cores of a high performance cluster while producing a high quality partition -- none of the competing systems can handle this graph on our system.Comment: Review article. Parallelization of our previous approach arXiv:1402.328