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

Teaching Parallel Programming Using Java

This paper presents an overview of the "Applied Parallel Computing" course taught to final year Software Engineering undergraduate students in Spring 2014 at NUST, Pakistan. The main objective of the course was to introduce practical parallel programming tools and techniques for shared and distributed memory concurrent systems. A unique aspect of the course was that Java was used as the principle programming language. The course was divided into three sections. The first section covered parallel programming techniques for shared memory systems that include multicore and Symmetric Multi-Processor (SMP) systems. In this section, Java threads was taught as a viable programming API for such systems. The second section was dedicated to parallel programming tools meant for distributed memory systems including clusters and network of computers. We used MPJ Express-a Java MPI library-for conducting programming assignments and lab work for this section. The third and the final section covered advanced topics including the MapReduce programming model using Hadoop and the General Purpose Computing on Graphics Processing Units (GPGPU).Comment: 8 Pages, 6 figures, MPJ Express, MPI Java, Teaching Parallel Programmin

A customizable multi-agent system for distributed data mining

We present a general Multi-Agent System framework for distributed data mining based on a Peer-to-Peer model. Agent protocols are implemented through message-based asynchronous communication. The framework adopts a dynamic load balancing policy that is particularly suitable for irregular search algorithms. A modular design allows a separation of the general-purpose system protocols and software components from the specific data mining algorithm. The experimental evaluation has been carried out on a parallel frequent subgraph mining algorithm, which has shown good scalability performances

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

Exploiting iteration-level parallelism in dataflow programs

The term "dataflow" generally encompasses three distinct aspects of computation - a data-driven model of computation, a functional/declarative programming language, and a special-purpose multiprocessor architecture. In this paper we decouple the language and architecture issues by demonstrating that declarative programming is a suitable vehicle for the programming of conventional distributed-memory multiprocessors.This is achieved by appling several transformations to the compiled declarative program to achieve iteration-level (rather than instruction-level) parallelism. The transformations first group individual instructions into sequential light-weight processes, and then insert primitives to: (1) cause array allocation to be distributed over multiple processors, (2) cause computation to follow the data distribution by inserting an index filtering mechanism into a given loop and spawning a copy of it on all PEs; the filter causes each instance of that loop to operate on a different subrange of the index variable.The underlying model of computation is a dataflow/von Neumann hybrid in that exection within a process is control-driven while the creation, blocking, and activation of processes is data-driven.The performance of this process-oriented dataflow system (PODS) is demonstrated using the hydrodynamics simulation benchmark called SIMPLE, where a 19-fold speedup on a 32-processor architecture has been achieved

Executing matrix multiply on a process oriented data flow machine

The Process-Oriented Dataflow System (PODS) is an execution model that combines the von Neumann and dataflow models of computation to gain the benefits of each. Central to PODS is the concept of array distribution and its effects on partitioning and mapping of processes.In PODS arrays are partitioned by simply assigning consecutive elements to each processing element (PE) equally. Since PODS uses single assignment, there will be only one producer of each element. This producing PE owns that element and will perform the necessary computations to assign it. Using this approach the filling loop is distributed across the PEs. This simple partitioning and mapping scheme provides excellent results for executing scientific code on MIMD machines. In this way PODS allows MIMD machines to exploit vector and data parallelism easily while still providing the flexibility of MIMD over SIMD for multi-user systems.In this paper, the classic matrix multiply algorithm, with 1024 data points, is executed on a PODS simulator and the results are presented and discussed. Matrix multiply is a good example because it has several interesting properties: there are multiple code-blocks; a new array must be dynamically allocated and distributed; there is a loop-carried dependency in the innermost loop; the two input arrays have different access patterns; and the sizes of the input arrays are not known at compile time. Matrix multiply also forms the basis for many important scientific algorithms such as: LU decomposition, convolution, and the Fast-Fourier Transform.The results show that PODS is comparable to both Iannucci's Hybrid Architecture and MIT's TTDA in terms of overhead and instruction power. They also show that PODS easily distributes the work load evenly across the PEs. The key result is that PODS can scale matrix multiply in a near linear fashion until there is little or no work to be performed for each PE. Then overhead and message passing become a major component of the execution time. With larger problems (e.g., >/=16k data points) this limit would be reached at around 256 PEs