Integration of Data Mining into Scientific Data Analysis Processes

In recent years, using advanced semi-interactive data analysis algorithms such as those from the field of data mining gained more and more importance in life science in general and in particular in bioinformatics, genetics, medicine and biodiversity. Today, there is a trend away from collecting and evaluating data in the context of a specific problem or study only towards extensively collecting data from different sources in repositories which is potentially useful for subsequent analysis, e.g. in the Gene Expression Omnibus (GEO) repository of high throughput gene expression data. At the time the data are collected, it is analysed in a specific context which influences the experimental design. However, the type of analyses that the data will be used for after they have been deposited is not known. Content and data format are focused only to the first experiment, but not to the future re-use. Thus, complex process chains are needed for the analysis of the data. Such process chains need to be supported by the environments that are used to setup analysis solutions. Building specialized software for each individual problem is not a solution, as this effort can only be carried out for huge projects running for several years. Hence, data mining functionality was developed to toolkits, which provide data mining functionality in form of a collection of different components. Depending on the different research questions of the users, the solutions consist of distinct compositions of these components. Today, existing solutions for data mining processes comprise different components that represent different steps in the analysis process. There exist graphical or script-based toolkits for combining such components. The data mining tools, which can serve as components in analysis processes, are based on single computer environments, local data sources and single users. However, analysis scenarios in medical- and bioinformatics have to deal with multi computer environments, distributed data sources and multiple users that have to cooperate. Users need support for integrating data mining into analysis processes in the context of such scenarios, which lacks today. Typically, analysts working with single computer environments face the problem of large data volumes since tools do not address scalability and access to distributed data sources. Distributed environments such as grid environments provide scalability and access to distributed data sources, but the integration of existing components into such environments is complex. In addition, new components often cannot be directly developed in distributed environments. Moreover, in scenarios involving multiple computers, multiple distributed data sources and multiple users, the reuse of components, scripts and analysis processes becomes more important as more steps and configuration are necessary and thus much bigger efforts are needed to develop and set-up a solution. In this thesis we will introduce an approach for supporting interactive and distributed data mining for multiple users based on infrastructure principles that allow building on data mining components and processes that are already available instead of designing of a completely new infrastructure, so that users can keep working with their well-known tools. In order to achieve the integration of data mining into scientific data analysis processes, this thesis proposes an stepwise approach of supporting the user in the development of analysis solutions that include data mining. We see our major contributions as the following: first, we propose an approach to integrate data mining components being developed for a single processor environment into grid environments. By this, we support users in reusing standard data mining components with small effort. The approach is based on a metadata schema definition which is used to grid-enable existing data mining components. Second, we describe an approach for interactively developing data mining scripts in grid environments. The approach efficiently supports users when it is necessary to enhance available components, to develop new data mining components, and to compose these components. Third, building on that, an approach for facilitating the reuse of existing data mining processes based on process patterns is presented. It supports users in scenarios that cover different steps of the data mining process including several components or scripts. The data mining process patterns support the description of data mining processes at different levels of abstraction between the CRISP model as most general and executable workflows as most concrete representation

State of the Art in Parallel Computing with R

R is a mature open-source programming language for statistical computing and graphics. Many areas of statistical research are experiencing rapid growth in the size of data sets. Methodological advances drive increased use of simulations. A common approach is to use parallel computing. This paper presents an overview of techniques for parallel computing with R on computer clusters, on multi-core systems, and in grid computing. It reviews sixteen different packages, comparing them on their state of development, the parallel technology used, as well as on usability, acceptance, and performance. Two packages (snow, Rmpi) stand out as particularly suited to general use on computer clusters. Packages for grid computing are still in development, with only one package currently available to the end user. For multi-core systems five different packages exist, but a number of issues pose challenges to early adopters. The paper concludes with ideas for further developments in high performance computing with R. Example code is available in the appendix.

Global Grids and Software Toolkits: A Study of Four Grid Middleware Technologies

Grid is an infrastructure that involves the integrated and collaborative use of computers, networks, databases and scientific instruments owned and managed by multiple organizations. Grid applications often involve large amounts of data and/or computing resources that require secure resource sharing across organizational boundaries. This makes Grid application management and deployment a complex undertaking. Grid middlewares provide users with seamless computing ability and uniform access to resources in the heterogeneous Grid environment. Several software toolkits and systems have been developed, most of which are results of academic research projects, all over the world. This chapter will focus on four of these middlewares--UNICORE, Globus, Legion and Gridbus. It also presents our implementation of a resource broker for UNICORE as this functionality was not supported in it. A comparison of these systems on the basis of the architecture, implementation model and several other features is included.Comment: 19 pages, 10 figure

Invasive compute balancing for applications with shared and hybrid parallelization

This is the author manuscript. The final version is available from the publisher via the DOI in this record.Achieving high scalability with dynamically adaptive algorithms in high-performance computing (HPC) is a non-trivial task. The invasive paradigm using compute migration represents an efficient alternative to classical data migration approaches for such algorithms in HPC. We present a core-distribution scheduler which realizes the migration of computational power by distributing the cores depending on the requirements specified by one or more parallel program instances. We validate our approach with different benchmark suites for simulations with artificial workload as well as applications based on dynamically adaptive shallow water simulations, and investigate concurrently executed adaptivity parameter studies on realistic Tsunami simulations. The invasive approach results in significantly faster overall execution times and higher hardware utilization than alternative approaches. A dynamic resource management is therefore mandatory for a more efficient execution of scenarios similar to our simulations, e.g. several Tsunami simulations in urgent computing, to overcome strong scalability challenges in the area of HPC. The optimizations obtained by invasive migration of cores can be generalized to similar classes of algorithms with dynamic resource requirements.This work was supported by the German Research Foundation (DFG) as part of the Transregional Collaborative Research Centre ”Invasive Computing” (SFB/TR 89)

ParaDisEO-Based Design of Parallel and Distributed Evolutionary Algorithms

The original publication is available at www.springerlink.comInternational audienceParaDisEO is a framework dedicated to the design of parallel and distributed metaheuristics including local search methods and evolutionary algorithms. This paper focuses on the latter aspect. We present the three parallel and distributed models implemented in ParaDisEO and show how these can be exploited in a user-friendly, flexible and transparent way. These models can be deployed on distributed memory machines as well as on shared memory multi-processors, taking advantage of the shared memory in the latter case. In addition, we illustrate the instantiation of the models through two applications demonstrating the efficiency and robustness of the framework

Distributed Management of Massive Data: an Efficient Fine-Grain Data Access Scheme

This paper addresses the problem of efficiently storing and accessing massive data blocks in a large-scale distributed environment, while providing efficient fine-grain access to data subsets. This issue is crucial in the context of applications in the field of databases, data mining and multimedia. We propose a data sharing service based on distributed, RAM-based storage of data, while leveraging a DHT-based, natively parallel metadata management scheme. As opposed to the most commonly used grid storage infrastructures that provide mechanisms for explicit data localization and transfer, we provide a transparent access model, where data are accessed through global identifiers. Our proposal has been validated through a prototype implementation whose preliminary evaluation provides promising results