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Graph Visualization for Blockchain Data

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arXiv 2024年

作者： Dietl, Marcell Gemünd, Andre Oeltz, Daniel Thiele, Felix M. Werner, Christian Fraunhofer Institute for Algorithms and Scientific Computing SCAI Schloss Birlinghoven Sankt Augustin53757 Germany frontmark GmbH Taunusstraße 63 Wiesbaden65183 Germany

In this report, we introduce a novel approach to visualize extremely large graphs efficiently. Our method combines two force-directed algorithms, Kamada-Kawai and ForceAtlas2, to handle different graph components based on their node count. Additionally, we suggest utilizing the Fast Multipole method to enhance the speed of ForceAtlas2. Although initially designed for analyzing bitcoin transaction graphs, for which we present results here, this algorithm can also be applied to other crypto currency transaction graphs or graphs from diverse domains. Copyright © 2024, The Authors. All rights reserved.

关键词： Directed graphs

ATK-ForceField: A new generation molecular dynamics software package

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arXiv 2017年

作者： Schneider, Julian Hamaekers, Jan Chill, Samuel T. Smidstrup, Søren Bulin, Johannes Thesen, Ralph Blom, Anders Stokbro, Kurt QuantumWise A/S Fruebjergvej 3 CopenhagenDK-2100 Denmark Fraunhofer Institute for Algorithms and Scientific Computing SCAI Schloss Birlinghoven Sankt Augustin53754 Germany

ATK-ForceField is a software package for atomistic simulations using classical interatomic potentials. It is implemented as a part of the Atomistix ToolKit (ATK), which is a Python programming environment that makes it easy to create and analyze both standard and highly customized simulations. This paper will focus on the atomic interaction potentials, molecular dynamics, and geometry optimization features of the software, however, many more advanced modeling features are available. The implementation details of these algorithms and their computational performance will be shown. We present three illustrative examples of the types of calculations that are possible with ATK-ForceField: modeling thermal transport properties in a silicon germanium crystal, vapor deposition of selenium molecules on a selenium surface, and a simulation of creep in a copper polycrystal. Copyright © 2017, The Authors. All rights reserved.

关键词： Software packages

High-level data mapping for clusters of SMPs

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High-level data mapping for clusters of SMPs

International Symposium on Parallel and Distributed Processing (IPDPS)

作者： S. Benkner T. Brandes Institute for Software Science University of Technology Vienna Austria GMD-German National Research Center for Information Technology SCAI-Institute for Algorithms and Scientific Computing Saint Petersburg Russia

Improving Distantly Supervised Extraction of Drug-Drug and Protein-Protein Interactions 12

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Improving Distantly Supervised Extraction of Drug-Drug and P...

Conference of The European Chapter of The Association for Computational Linguistics

作者： Tamara Bobic Roman Klinger Philippe Thomas Martin Hofmann-Apitius Fraunhofer Institute for Algorithms and Scientific Computing (SCAI) Schloss Birlinghoven 53754 Sankt Augustin Germany Bonn-Aachen Center for Information Technology Dahlmannstrasse 2 53113 Bonn Germany Fraunhofer Institute for Algorithms and Scientific Computing (SCAI) Schloss Birlinghoven 53754 Sankt Augustin Germany Computer Science Institut Humboldt-Universitaet Unter den Linden 6 10099 Berlin Germany

ISBN: (纸本)9781622764907

Relation extraction is frequently and successfully addressed by machine learning methods. The downside of this approach is the need for annotated training data, typically generated in tedious manual, cost intensive work. Distantly supervised approaches make use of weakly annotated data, like automatically annotated corpora. Recent work in the biomedical domain has applied distant supervision for protein-protein interaction (PPI) with reasonable results making use of the IntAct database. Such data is typically noisy and heuristics to filter the data are commonly applied. We propose a constraint to increase the quality of data used for training based on the assumption that no self-interaction of real-world objects are described in sentences. In addition, we make use of the University of Kansas Proteomics Service (KUPS) database. These two steps show an increase of 7 percentage points (pp) for the PPI corpus AIMed. We demonstrate the broad applicability of our approach by using the same workflow for the analysis of drug-drug interactions, utilizing relationships available from the drug database DrugBank. We achieve 37.31 % in F_1 measure without manually annotated training data on an independent test set.

关键词： Protein-Protein Interaction Training data pulse position indicator Drug Interactions Heuristics Manual handling Database

Compensation of pressure peaks in PWK-type hydraulic pumps

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Key Engineering Materials 2011年 490卷 33-44页

作者： Osiecki, Leszek Patrosz, Piotr Zawistowski, Tomasz Landvogt, Bettina Piechna, Janusz Zyliñski, Bartek Gdansk University of Technology ul. Narutowicza 11/12 80-233 Gdansk Poland Space Research Center Polish Academy of Sciences ul. Bartycka 18A 00-716 Warszawa Poland Fraunhofer Institute for Algorithms and Scientific Computing SCAI Schloss Birlinghoven 53754 Sankt Augustin Germany Warsaw University of Technology Pl. Politechniki 1 00-661 Warszawa Poland Bandak Engineering Postboks 1505 Ålesund Norway

Hydraulic axial pumps equipped with cam-driven commutation unit (PWK pumps) proved their high efficiency up to 55 MPa and ability to work self-sucking, even at high speed. Displacement of PWK pump may easily be changed by moving its control cam. Full discharge from hydrostatic forces makes such control possible by direct action of a low-energy actuator like proportional electromagnet or stepping motor. That eliminates heavy and costly hydraulic servomechanism, necessary in other variable displacement machines. Such a control mechanism was positively evaluated in prototype tests in Department of Hydraulics and Pneumatics of Gdañsk University of Technology. The new commutation unit generates however harmful pressure peaks. The paper presents the compensation method for pressure peaks by use of the elastic compensation chamber. It shows also results of multidisciplinary FEA and CFD analysis necessary to properly design the compensation chamber. © 2012 Trans Tech Publications, Switzerland.

关键词： Stepping motors

Simulated Reality in Automotive Design

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Simulated Reality in Automotive Design

International Conference on Cyberworlds

作者： Andre Stork Clemens-August Thole Stanislav Klimenko Igor Nikitin Lialia Nikitina Yuri Astakhov IGD Fraunhofer Institute of Computer Graphics Research (IGD) Darmstadt Germany SCAI Fraunhofer Institute for Algorithms and Scientific Computing Darmstadt Germany ICPT Institute of Computing for Physics and Technology Moscow Russia Mathematical Institute University of Cologne Germany

In this paper we introduce Simulated Reality (SR) as a new concept for the interplay between simulation, optimization and interactive visualization. We see SR as a new metaphor for the interactive visual exploration of simulation and optimization results. The vision of Simulated Reality implies interactive behavior of simulations. Fact is today that simulations might still need hours of computation time, especially in crash worthiness. This paper shows approaches to come closer to the vision of SR. Combining design of experiments methods, metamodeling, new interpolation schemes and innovative graphics methods, we enable to user to interact with simulation parameters, optimization criteria and come to a new interpolated crash result within seconds. The approaches have been successfully applied for solution of real life car design optimization problems.

关键词： Automotive engineering Computational modeling Strontium Design optimization Visualization Computer crashes Design methodology Metamodeling Interpolation Graphics

Grid Added Value to Address Malaria 06

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Grid Added Value to Address Malaria

Proceedings of the Sixth IEEE International Symposium on Cluster computing and the Grid

作者： V. Breton N. Jacq M. Hofmann Université Blaise Pascal/IN2P3 France Communication & Systèmes CS-SI France Fraunhofer Institute for Algorithms and Scientific Computing (SCAI) Germany

ISBN: (纸本)9780769525853

Through this paper, we call for a distributed, internet-based collaboration to address one of the worst plagues of our present world, malaria. The spirit is a non-proprietary peer-production of informationembedding goods. And we propose to use the grid technology to enable such a world wide "open source" like collaboration. The first step towards this vision has been achieved during the summer on the EGEE grid infrastructure where 46 million ligands were docked for a total amount of 80 CPU years in 6 weeks in the quest for new drugs.

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A representer theorem for deep kernel learning

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arXiv 2017年

作者： Bohn, Bastian Griebel, Michael Rieger, Christian Institute for Numerical Simulation University of Bonn Wegelerstr. 6 Bonn53115 Germany Fraunhofer Institute for Algorithms and Scientific Computing SCAI Schloss Birlinghoven Sankt Augustin53754 Germany

In this paper we provide a finite-sample and an infinite-sample representer theorem for the concatenation of (linear combinations of) kernel functions of reproducing kernel Hilbert spaces. These results serve as mathematical foundation for the analysis of machine learning algorithms based on compositions of functions. As a direct consequence in the finite-sample case, the corresponding infinite-dimensional minimization problems can be recast into (nonlinear) finite-dimensional minimization problems, which can be tackled with nonlinear optimization algorithms. Moreover, we show how concatenated machine learning problems can be reformulated as neural networks and how our representer theorem applies to a broad class of state-of-the-art deep learning methods. Copyright © 2017, The Authors. All rights reserved.

关键词： Sampling

A Dimension-adaptive Combination Technique for Uncertainty Quantification

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arXiv 2022年

作者： Seidler, Uta Griebel, Michael Institute for Numerical Simulation University of Bonn Friedrich-Hirzebruch-Allee 7 Bonn53115 Germany Fraunhofer Institute for Algorithms and Scientific Computing SCAI Schloss Birlinghoven Sankt Augustin53754 Germany

We present an adaptive algorithm for the computation of quantities of interest involving the solution of a stochastic elliptic PDE where the diffusion coefficient is parametrized by means of a Karhunen-Loève expansion. The approximation of the equivalent parametric problem requires a restriction of the countably infinite-dimensional parameter space to a finite-dimensional parameter set, a spatial discretization and an approximation in the parametric variables. We consider a sparse grid approach between these approximation directions in order to reduce the computational effort and propose a dimension-adaptive combination technique. In addition, a sparse grid quadrature for the high-dimensional parametric approximation is employed and simultaneously balanced with the spatial and stochastic approximation. Our adaptive algorithm constructs a sparse grid approximation based on the benefit-cost ratio such that the regularity and thus the decay of the Karhunen-Loève coefficients is not required beforehand. The decay is detected and exploited as the algorithm adjusts to the anisotropy in the parametric variables. We include numerical examples for the Darcy problem with a lognormal permeability field, which illustrate a good performance of the algorithm: For sufficiently smooth random fields, we essentially recover the spatial order of convergence as asymptotic convergence rate with respect to the computational *** Codes 65N35, 65C20, 65D30, 65N30, 60H35 © 2022, CC BY.

关键词： Diffusion