Dynamic load balancing for the distributed mining of molecular structures

In molecular biology, it is often desirable to find common properties in large numbers of drug candidates. One family of methods stems from the data mining community, where algorithms to find frequent graphs have received increasing attention over the past years. However, the computational complexity of the underlying problem and the large amount of data to be explored essentially render sequential algorithms useless. In this paper, we present a distributed approach to the frequent subgraph mining problem to discover interesting patterns in molecular compounds. This problem is characterized by a highly irregular search tree, whereby no reliable workload prediction is available. We describe the three main aspects of the proposed distributed algorithm, namely, a dynamic partitioning of the search space, a distribution process based on a peer-to-peer communication framework, and a novel receiverinitiated load balancing algorithm. The effectiveness of the distributed method has been evaluated on the well-known National Cancer Institute’s HIV-screening data set, where we were able to show close-to linear speedup in a network of workstations. The proposed approach also allows for dynamic resource aggregation in a non dedicated computational environment. These features make it suitable for large-scale, multi-domain, heterogeneous environments, such as computational grids

High performance subgraph mining in molecular compounds

Structured data represented in the form of graphs arises in several fields of the science and the growing amount of available data makes distributed graph mining techniques particularly relevant. In this paper, we present a distributed approach to the frequent subgraph mining problem to discover interesting patterns in molecular compounds. The problem is characterized by a highly irregular search tree, whereby no reliable workload prediction is available. We describe the three main aspects of the proposed distributed algorithm, namely a dynamic partitioning of the search space, a distribution process based on a peer-to-peer communication framework, and a novel receiver-initiated, load balancing algorithm. The effectiveness of the distributed method has been evaluated on the well-known National Cancer Institute’s HIV-screening dataset, where the approach attains close-to linear speedup in a network of workstations

Efficient mining of discriminative molecular fragments

Frequent pattern discovery in structured data is receiving an increasing attention in many application areas of sciences. However, the computational complexity and the large amount of data to be explored often make the sequential algorithms unsuitable. In this context high performance distributed computing becomes a very interesting and promising approach. In this paper we present a parallel formulation of the frequent subgraph mining problem to discover interesting patterns in molecular compounds. The application is characterized by a highly irregular tree-structured computation. No estimation is available for task workloads, which show a power-law distribution in a wide range. The proposed approach allows dynamic resource aggregation and provides fault and latency tolerance. These features make the distributed application suitable for multi-domain heterogeneous environments, such as computational Grids. The distributed application has been evaluated on the well known National Cancer Institute’s HIV-screening dataset

Recent Advances in Graph Partitioning

We survey recent trends in practical algorithms for balanced graph partitioning together with applications and future research directions

Extending OmpSs for OpenCL kernel co-execution in heterogeneous systems

© 2017 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes,creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works.Heterogeneous systems have a very high potential performance but present difficulties in their programming. OmpSs is a well known framework for task based parallel applications, which is an interesting tool to simplify the programming of these systems. However, it does not support the co-execution of a single OpenCL kernel instance on several compute devices. To overcome this limitation, this paper presents an extension of the OmpSs framework that solves two main objectives: the automatic division of datasets among several devices and the management of their memory address spaces. To adapt to different kinds of applications, the data division can be performed by the novel HGuided load balancing algorithm or by the well known Static and Dynamic. All this is accomplished with negligible impact on the programming. Experimental results reveal that there is always one load balancing algorithm that improves the performance and energy consumption of the system.This work has been supported by the University of Cantabria with grant CVE-2014-18166, the Generalitat de Catalunya under grant 2014-SGR-1051, the Spanish Ministry of Economy, Industry and Competitiveness under contracts TIN2016- 76635-C2-2-R (AEI/FEDER, UE) and TIN2015-65316-P. The Spanish Government through the Programa Severo Ochoa (SEV-2015-0493). The European Research Council under grant agreement No 321253 European Community’s Seventh Framework Programme [FP7/2007-2013] and Horizon 2020 under the Mont-Blanc Projects, grant agreement n 288777, 610402 and 671697 and the European HiPEAC Network.Peer ReviewedPostprint (published version

Distributed memory compiler methods for irregular problems: Data copy reuse and runtime partitioning

Outlined here are two methods which we believe will play an important role in any distributed memory compiler able to handle sparse and unstructured problems. We describe how to link runtime partitioners to distributed memory compilers. In our scheme, programmers can implicitly specify how data and loop iterations are to be distributed between processors. This insulates users from having to deal explicitly with potentially complex algorithms that carry out work and data partitioning. We also describe a viable mechanism for tracking and reusing copies of off-processor data. In many programs, several loops access the same off-processor memory locations. As long as it can be verified that the values assigned to off-processor memory locations remain unmodified, we show that we can effectively reuse stored off-processor data. We present experimental data from a 3-D unstructured Euler solver run on iPSC/860 to demonstrate the usefulness of our methods

Configurable Strategies for Work-stealing

Work-stealing systems are typically oblivious to the nature of the tasks they are scheduling. For instance, they do not know or take into account how long a task will take to execute or how many subtasks it will spawn. Moreover, the actual task execution order is typically determined by the underlying task storage data structure, and cannot be changed. There are thus possibilities for optimizing task parallel executions by providing information on specific tasks and their preferred execution order to the scheduling system. We introduce scheduling strategies to enable applications to dynamically provide hints to the task-scheduling system on the nature of specific tasks. Scheduling strategies can be used to independently control both local task execution order as well as steal order. In contrast to conventional scheduling policies that are normally global in scope, strategies allow the scheduler to apply optimizations on individual tasks. This flexibility greatly improves composability as it allows the scheduler to apply different, specific scheduling choices for different parts of applications simultaneously. We present a number of benchmarks that highlight diverse, beneficial effects that can be achieved with scheduling strategies. Some benchmarks (branch-and-bound, single-source shortest path) show that prioritization of tasks can reduce the total amount of work compared to standard work-stealing execution order. For other benchmarks (triangle strip generation) qualitatively better results can be achieved in shorter time. Other optimizations, such as dynamic merging of tasks or stealing of half the work, instead of half the tasks, are also shown to improve performance. Composability is demonstrated by examples that combine different strategies, both within the same kernel (prefix sum) as well as when scheduling multiple kernels (prefix sum and unbalanced tree search)