@phdthesis{Schacht2014, author = {Schacht, Alexander}, title = {Konzepte und Strategien mobiler Plattformen zur Erfassung und Anlayse von Vitalparametern in heterogenen Telemonotoring-Systemen}, pages = {215}, year = {2014}, language = {de} } @article{Scheele2014, author = {Scheele, Lasse}, title = {Location analysis for placing artificial reefs}, series = {Process design for natural scientists: an agile model-driven approach}, journal = {Process design for natural scientists: an agile model-driven approach}, number = {500}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-662-45005-5}, issn = {1865-0929}, pages = {216 -- 228}, year = {2014}, abstract = {Location analyses are among the most common tasks while working with spatial data and geographic information systems. Automating the most frequently used procedures is therefore an important aspect of improving their usability. In this context, this project aims to design and implement a workflow, providing some basic tools for a location analysis. For the implementation with jABC, the workflow was applied to the problem of finding a suitable location for placing an artificial reef. For this analysis three parameters (bathymetry, slope and grain size of the ground material) were taken into account, processed, and visualized with the The Generic Mapping Tools (GMT), which were integrated into the workflow as jETI-SIBs. The implemented workflow thereby showed that the approach to combine jABC with GMT resulted in an user-centric yet user-friendly tool with high-quality cartographic outputs.}, language = {en} } @article{SchickBojahrHerzogetal.2014, author = {Schick, Daniel and Bojahr, Andre and Herzog, Marc and Shayduk, Roman and von Korff Schmising, Clemens and Bargheer, Matias}, title = {Udkm1Dsim-A simulation toolkit for 1D ultrafast dynamics in condensed matter}, series = {Computer physics communications : an international journal devoted to computational physics and computer programs in physics}, volume = {185}, journal = {Computer physics communications : an international journal devoted to computational physics and computer programs in physics}, number = {2}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0010-4655}, doi = {10.1016/j.cpc.2013.10.009}, pages = {651 -- 660}, year = {2014}, abstract = {The UDKM1DSIM toolbox is a collection of MATLAB (MathWorks Inc.) classes and routines to simulate the structural dynamics and the according X-ray diffraction response in one-dimensional crystalline sample structures upon an arbitrary time-dependent external stimulus, e.g. an ultrashort laser pulse. The toolbox provides the capabilities to define arbitrary layered structures on the atomic level including a rich database of corresponding element-specific physical properties. The excitation of ultrafast dynamics is represented by an N-temperature model which is commonly applied for ultrafast optical excitations. Structural dynamics due to thermal stress are calculated by a linear-chain model of masses and springs. The resulting X-ray diffraction response is computed by dynamical X-ray theory. The UDKM1DSIM toolbox is highly modular and allows for introducing user-defined results at any step in the simulation procedure. Program summary Program title: udkm1Dsim Catalogue identifier: AERH_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AERH_v1_0.html Licensing provisions: BSD No. of lines in distributed program, including test data, etc.: 130221 No. of bytes in distributed program, including test data, etc.: 2746036 Distribution format: tar.gz Programming language: Matlab (MathWorks Inc.). Computer: PC/Workstation. Operating system: Running Matlab installation required (tested on MS Win XP -7, Ubuntu Linux 11.04-13.04). Has the code been vectorized or parallelized?: Parallelization for dynamical XRD computations. Number of processors used: 1-12 for Matlab Parallel Computing Toolbox; 1 - infinity for Matlab Distributed Computing Toolbox External routines: Optional: Matlab Parallel Computing Toolbox, Matlab Distributed Computing Toolbox Required (included in the package): mtimesx Fast Matrix Multiply for Matlab by James Tursa, xml io tools by Jaroslaw Tuszynski, textprogressbar by Paul Proteus Nature of problem: Simulate the lattice dynamics of 1D crystalline sample structures due to an ultrafast excitation including thermal transport and compute the corresponding transient X-ray diffraction pattern. Solution method: Restrictions: The program is restricted to 1D sample structures and is further limited to longitudinal acoustic phonon modes and symmetrical X-ray diffraction geometries. Unusual features: The program is highly modular and allows the inclusion of user-defined inputs at any time of the simulation procedure. Running time: The running time is highly dependent on the number of unit cells in the sample structure and other simulation parameters such as time span or angular grid for X-ray diffraction computations. However, the example files are computed in approx. 1-5 min each on a 8 Core Processor with 16 GB RAM available.}, language = {en} } @phdthesis{Schnjakin2014, author = {Schnjakin, Maxim}, title = {Cloud-RAID}, pages = {137}, year = {2014}, language = {de} } @article{Schulze2014, author = {Schulze, Gunnar}, title = {Workflow for rapid metagenome analysis}, series = {Process design for natural scientists: an agile model-driven approach}, journal = {Process design for natural scientists: an agile model-driven approach}, number = {500}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-662-45005-5}, issn = {1865-0929}, pages = {88 -- 100}, year = {2014}, abstract = {Analyses of metagenomes in life sciences present new opportunities as well as challenges to the scientific community and call for advanced computational methods and workflows. The large amount of data collected from samples via next-generation sequencing (NGS) technologies render manual approaches to sequence comparison and annotation unsuitable. Rather, fast and efficient computational pipelines are needed to provide comprehensive statistics and summaries and enable the researcher to choose appropriate tools for more specific analyses. The workflow presented here builds upon previous pipelines designed for automated clustering and annotation of raw sequence reads obtained from next-generation sequencing technologies such as 454 and Illumina. Employing specialized algorithms, the sequence reads are processed at three different levels. First, raw reads are clustered at high similarity cutoff to yield clusters which can be exported as multifasta files for further analyses. Independently, open reading frames (ORFs) are predicted from raw reads and clustered at two strictness levels to yield sets of non-redundant sequences and ORF families. Furthermore, single ORFs are annotated by performing searches against the Pfam database}, language = {en} } @article{Schuett2014, author = {Sch{\"u}tt, Christine}, title = {Identification of differentially expressed genes}, series = {Process design for natural scientists: an agile model-driven approach}, journal = {Process design for natural scientists: an agile model-driven approach}, number = {500}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-662-45005-5}, issn = {1865-0929}, pages = {127 -- 139}, year = {2014}, abstract = {With the jABC it is possible to realize workflows for numerous questions in different fields. The goal of this project was to create a workflow for the identification of differentially expressed genes. This is of special interest in biology, for it gives the opportunity to get a better insight in cellular changes due to exogenous stress, diseases and so on. With the knowledge that can be derived from the differentially expressed genes in diseased tissues, it becomes possible to find new targets for treatment.}, language = {en} } @article{Sens2014, author = {Sens, Henriette}, title = {Web-Based map generalization tools put to the test: a jABC workflow}, series = {Process Design for Natural Scientists: an agile model-driven approach}, journal = {Process Design for Natural Scientists: an agile model-driven approach}, number = {500}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-662-45005-5}, issn = {1865-0929}, pages = {175 -- 185}, year = {2014}, abstract = {Geometric generalization is a fundamental concept in the digital mapping process. An increasing amount of spatial data is provided on the web as well as a range of tools to process it. This jABC workflow is used for the automatic testing of web-based generalization services like mapshaper.org by executing its functionality, overlaying both datasets before and after the transformation and displaying them visually in a .tif file. Mostly Web Services and command line tools are used to build an environment where ESRI shapefiles can be uploaded, processed through a chosen generalization service and finally visualized in Irfanview.}, language = {en} } @article{Teske2014, author = {Teske, Daniel}, title = {Geocoder accuracy ranking}, series = {Process design for natural scientists: an agile model-driven approach}, journal = {Process design for natural scientists: an agile model-driven approach}, number = {500}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-662-45005-5}, issn = {1865-0929}, pages = {161 -- 174}, year = {2014}, abstract = {Finding an address on a map is sometimes tricky: the chosen map application may be unfamiliar with the enclosed region. There are several geocoders on the market, they have different databases and algorithms to compute the query. Consequently, the geocoding results differ in their quality. Fortunately the geocoders provide a rich set of metadata. The workflow described in this paper compares this metadata with the aim to find out which geocoder is offering the best-fitting coordinate for a given address.}, language = {en} } @article{TroegerMerzky2014, author = {Troeger, Peter and Merzky, Andre}, title = {Towards standardized job submission and control in infrastructure clouds}, series = {Journal of grid computing}, volume = {12}, journal = {Journal of grid computing}, number = {1}, publisher = {Springer}, address = {Dordrecht}, issn = {1570-7873}, doi = {10.1007/s10723-013-9275-2}, pages = {111 -- 125}, year = {2014}, abstract = {The submission and management of computational jobs is a traditional part of utility computing environments. End users and developers of domain-specific software abstractions often have to deal with the heterogeneity of such batch processing systems. This lead to a number of application programming interface and job description standards in the past, which are implemented and established for cluster and Grid systems. With the recent rise of cloud computing as new utility computing paradigm, the standardized access to batch processing facilities operated on cloud resources becomes an important issue. Furthermore, the design of such a standard has to consider a tradeoff between feature completeness and the achievable level of interoperability. The article discusses this general challenge, and presents some existing standards with traditional cluster and Grid computing background that may be applicable to cloud environments. We present OCCI-DRMAA as one approach for standardized access to batch processing facilities hosted in a cloud.}, language = {en} } @phdthesis{Videla2014, author = {Videla, Santiago}, title = {Reasoning on the response of logical signaling networks with answer set programming}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-71890}, school = {Universit{\"a}t Potsdam}, year = {2014}, abstract = {Deciphering the functioning of biological networks is one of the central tasks in systems biology. In particular, signal transduction networks are crucial for the understanding of the cellular response to external and internal perturbations. Importantly, in order to cope with the complexity of these networks, mathematical and computational modeling is required. We propose a computational modeling framework in order to achieve more robust discoveries in the context of logical signaling networks. More precisely, we focus on modeling the response of logical signaling networks by means of automated reasoning using Answer Set Programming (ASP). ASP provides a declarative language for modeling various knowledge representation and reasoning problems. Moreover, available ASP solvers provide several reasoning modes for assessing the multitude of answer sets. Therefore, leveraging its rich modeling language and its highly efficient solving capacities, we use ASP to address three challenging problems in the context of logical signaling networks: learning of (Boolean) logical networks, experimental design, and identification of intervention strategies. Overall, the contribution of this thesis is three-fold. Firstly, we introduce a mathematical framework for characterizing and reasoning on the response of logical signaling networks. Secondly, we contribute to a growing list of successful applications of ASP in systems biology. Thirdly, we present a software providing a complete pipeline for automated reasoning on the response of logical signaling networks.}, language = {en} }