Gunrock: GPU Graph Analytics

For large-scale graph analytics on the GPU, the irregularity of data access and control flow, and the complexity of programming GPUs, have presented two significant challenges to developing a programmable high-performance graph library. "Gunrock", our graph-processing system designed specifically for the GPU, uses a high-level, bulk-synchronous, data-centric abstraction focused on operations on a vertex or edge frontier. Gunrock achieves a balance between performance and expressiveness by coupling high performance GPU computing primitives and optimization strategies with a high-level programming model that allows programmers to quickly develop new graph primitives with small code size and minimal GPU programming knowledge. We characterize the performance of various optimization strategies and evaluate Gunrock's overall performance on different GPU architectures on a wide range of graph primitives that span from traversal-based algorithms and ranking algorithms, to triangle counting and bipartite-graph-based algorithms. The results show that on a single GPU, Gunrock has on average at least an order of magnitude speedup over Boost and PowerGraph, comparable performance to the fastest GPU hardwired primitives and CPU shared-memory graph libraries such as Ligra and Galois, and better performance than any other GPU high-level graph library.Comment: 52 pages, invited paper to ACM Transactions on Parallel Computing (TOPC), an extended version of PPoPP'16 paper "Gunrock: A High-Performance Graph Processing Library on the GPU

High performance graph analysis on parallel architectures

PhD ThesisOver the last decade pharmacology has been developing computational methods to enhance drug development and testing. A computational method called network pharmacology uses graph analysis tools to determine protein target sets that can lead on better targeted drugs for diseases as Cancer. One promising area of network-based pharmacology is the detection of protein groups that can produce better e ects if they are targeted together by drugs. However, the e cient prediction of such protein combinations is still a bottleneck in the area of computational biology. The computational burden of the algorithms used by such protein prediction strategies to characterise the importance of such proteins consists an additional challenge for the eld of network pharmacology. Such computationally expensive graph algorithms as the all pairs shortest path (APSP) computation can a ect the overall drug discovery process as needed network analysis results cannot be given on time. An ideal solution for these highly intensive computations could be the use of super-computing. However, graph algorithms have datadriven computation dictated by the structure of the graph and this can lead to low compute capacity utilisation with execution times dominated by memory latency. Therefore, this thesis seeks optimised solutions for the real-world graph problems of critical node detection and e ectiveness characterisation emerged from the collaboration with a pioneer company in the eld of network pharmacology as part of a Knowledge Transfer Partnership (KTP) / Secondment (KTS). In particular, we examine how genetic algorithms could bene t the prediction of protein complexes where their removal could produce a more e ective 'druggable' impact. Furthermore, we investigate how the problem of all pairs shortest path (APSP) computation can be bene ted by the use of emerging parallel hardware architectures as GPU- and FPGA- desktop-based accelerators. In particular, we address the problem of critical node detection with the development of a heuristic search method. It is based on a genetic algorithm that computes optimised node combinations where their removal causes greater impact than common impact analysis strategies. Furthermore, we design a general pattern for parallel network analysis on multi-core architectures that considers graph's embedded properties. It is a divide and conquer approach that decomposes a graph into smaller subgraphs based on its strongly connected components and computes the all pairs shortest paths concurrently on GPU. Furthermore, we use linear algebra to design an APSP approach based on the BFS algorithm. We use algebraic expressions to transform the problem of path computation to multiple independent matrix-vector multiplications that are executed concurrently on FPGA. Finally, we analyse how the optimised solutions of perturbation analysis and parallel graph processing provided in this thesis will impact the drug discovery process.This research was part of a Knowledge Transfer Partnership (KTP) and Knowledge Transfer Secondment (KTS) between e-therapeutics PLC and Newcastle University. It was supported as a collaborative project by e-therapeutics PLC and Technology Strategy boar

Accelerating transitive closure of large-scale sparse graphs

Finding the transitive closure of a graph is a fundamental graph problem where another graph is obtained in which an edge exists between two nodes if and only if there is a path in our graph from one node to the other. The reachability matrix of a graph is its transitive closure. This thesis describes a novel approach that uses anti-sections to obtain the transitive closure of a graph. It also examines its advantages when implemented in parallel on a CPU using the Hornet graph data structure. Graph representations of real-world systems are typically sparse in nature due to lesser connectivity between nodes. The anti-section approach is designed specifically to improve performance for large scale sparse graphs. The NVIDIA Titan V CPU is used for the execution of the anti-section parallel implementations. The Dual-Round and Hash-Based implementations of the Anti-Section transitive closure approach provide a significant speedup over several parallel and sequential implementations

Parametric Multi-Step Scheme for GPU-Accelerated Graph Decomposition into Strongly Connected Components

The problem of decomposing a directed graph into strongly connected components (SCCs) is a fundamental graph problem that is inherently present in many scientific and commercial applications. Clearly, there is a strong need for good high-performance, e.g., GPU-accelerated, algorithms to solve it. Unfortunately, among existing GPU-enabled algorithms to solve the problem, there is none that can be considered the best on every graph, disregarding the graph characteristics. Indeed, the choice of the right and most appropriate algorithm to be used is often left to inexperienced users. In this paper, we introduce a novel parametric multi-step scheme to evaluate existing GPU-accelerated algorithms for SCC decomposition in order to alleviate the burden of the choice and to help the user to identify which combination of existing techniques for SCC decomposition would fit an expected use case the most. We support our scheme with an extensive experimental evaluation that dissects correlations between the internal structure of GPU-based algorithms and their performance on various classes of graphs. The measurements confirm that there is no algorithm that would beat all other algorithms in the decomposition on all of the classes of graphs. Our contribution thus represents an important step towards an ultimate solution of automatically adjusted scheme for the GPU-accelerated SCC decomposition

Maintenance of Strongly Connected Component in Shared-memory Graph

In this paper, we present an on-line fully dynamic algorithm for maintaining strongly connected component of a directed graph in a shared memory architecture. The edges and vertices are added or deleted concurrently by fixed number of threads. To the best of our knowledge, this is the first work to propose using linearizable concurrent directed graph and is build using both ordered and unordered list-based set. We provide an empirical comparison against sequential and coarse-grained. The results show our algorithm's throughput is increased between 3 to 6x depending on different workload distributions and applications. We believe that there are huge applications in the on-line graph. Finally, we show how the algorithm can be extended to community detection in on-line graph.Comment: 29 pages, 4 figures, Accepted in the Conference NETYS-201