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Multiscale computing for science and engineering in the era of exascale performance

Alfons G. Hoekstra, Bastien Chopard, David Coster, Simon Portegies Zwart, Peter V. Coveney
2019 Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences  
We acknowledge all participants of the workshop, Multiscale Computing, from the Desktop to the Exascale, that was held from 16 to 20 April 2018 in the Lorentz Center in Leiden, the Netherlands, 3 for helping  ...  Generic multiscale modelling and simulation (a) Simulation-based science Simulation-based science is all about formulating computational models of phenomena that we observe, and performing computer simulations  ...  Based on available (observational) data and knowledge and theory of the phenomenon under study, a conceptual model is formulated, which is then turned into a computational model.  ... 
doi:10.1098/rsta.2018.0144 fatcat:te32sael2jfn7arixstp4vcoky

Robust Hierarchical Multiscale Design Using PATC and PCE

Fenfen Xiong
2011 The Open Mechanical Engineering Journal  
Comparative study on a multiscale bracket design problem shows that the results obtained by our strategy are very close to the reference values.  ...  It is demonstrated that PATC and PCE are effective and applicable on multiscale design.  ...  A ROBUST HIERRCHICAL MULTISCALE DESIGN FRAMEWORK In this paper, we propose to apply the existing PATC multilevel design formulation to hierarchical multiscale system design.  ... 
doi:10.2174/1874155x01105010097 fatcat:muroymkiknh5ddpsa75edxt6dq

Multiscale modelling: approaches and challenges

S. Karabasov, D. Nerukh, A. Hoekstra, B. Chopard, P. V. Coveney
2014 Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences  
In numerous multiscale systems, a sequential approach is adopted when building a hierarchy of models.  ...  [7] provide an example of a multiscale model for two-phase granular systems and Markesteijn et al.  ... 
doi:10.1098/rsta.2013.0390 pmid:24982248 pmcid:PMC4084530 fatcat:fdjn6twewzfhnd5jjrhf4zx6ze

Multiscale modeling of cortical gradients: the role of mesoscale circuits for linking macro- and microscale gradients of cortical organization and hierarchical information processing

Philipp Haueis
2021 NeuroImage  
This paper evaluates the validity of such inferences within the framework of multiscale modeling.  ...  My application of the multiscale modeling framework reveals that the gradient concept tracks multiple overlapping progressions of cortical properties, rather than one overall gradient of hierarchical information  ...  This project was supported by a stipend of  ... 
doi:10.1016/j.neuroimage.2021.117846 pmid:33636345 fatcat:4jrn4czw3zgd5k64zea6axxj3a

An ontological conceptualization of multiscale models

Aidong Yang, Wolfgang Marquardt
2009 Computers and Chemical Engineering  
On this level, the system of equipment is decomposed into a number of (internal) zones; one zone can be connected to one or more other zones.  ...  This is further followed by a precise specification of the composition of a multiscale model and subsequently a classification of multiscale models, all through rigorous definitions.  ...  In connection to this initiative, the conceptualization framework reported here has the potential of being applied as a meta ontology, based on which a computer-aided modeling tool may be implemented such  ... 
doi:10.1016/j.compchemeng.2008.11.015 fatcat:py7bvd3x2fhpfbpneoauyvu2lm

Integrating multi-level molecular simulations across heterogeneous resources

Yudong Sun, Steve McKeever, Kia Balali-Mood, Mark S. P. Sansom
2007 2007 8th IEEE/ACM International Conference on Grid Computing  
The authors thank all collaborators including Graham Riley and Rupert Ford for the proposed hybrid MD simulation model, and Adrian Mulholland and Christo Christov for the QM/MM simulation and data.  ...  EXAMPLES This section demonstrates two use cases of the multi-level simulation framework and BioSimML. One is a multiscale MD simulation model developed based on the framework.  ...  The framework is embedded with BioSimML to support formulated data exchange. Section V-A will introduce an integrated multiscale simulation model implemented based on this framework. IV.  ... 
doi:10.1109/grid.2007.4354129 dblp:conf/grid/SunMBS07 fatcat:kn74346kf5cojeputgnmkeuoii

Motion estimation using adaptive blocksize observation model and efficient multiscale regularization

S.S. Tandjung, T.S. Gunawan, Chong Man Nang
2000 Proceedings 2000 International Conference on Image Processing (Cat. No.00CH37101)  
The proposed framework can initialize the bayesian method. The result in this paper shows one of the possibility of its usage.  ...  This paper proposes adaptive blocksize observation model and multiscale regularization for the prior model and the optimization process.  ...  B § C E D F GH I Q P R H S T V U X W Ỳa $ b d c " e g f h i a $ b 0 p W c " e § q s r g c " e t f u f 0 v x w y $ w q P R $ c ( f $ (2) where denotes the order of MRF neighborhood system and w denotes  ... 
doi:10.1109/icip.2000.899490 dblp:conf/icip/TandjungGC00 fatcat:e3trp7pl3rhbhnmajolyuiacem

Selection and Validation of Predictive Multiscale Models: Application to Tumor Growth

Danial Faghihi, J. Tinsley Oden
2017 Figshare  
Multiscale, multiphysics, multifidelity modeling researchInstitutional affiliation: Institute for Computational Engineering and Sciences,The University of Texas at Austin  ...  Whitepaper submitted to the 2017 DOE ASCR Applied Math MeetingQuestions on Future Research Directions:1.  ...  , cellular, sub-cellular, requires frameworks based on a systematic approach that brings together the statistical, mathematical, computational, and biological issues relevant in tumor growth.  ... 
doi:10.6084/m9.figshare.5315320 fatcat:j3myk22esjaspl6bacg3blfsq4

Distributed Multiscale Computations Using the MAPPER Framework

Mohamed Ben Belgacem, Bastien Chopard, Joris Borgdorff, Mariusz Mamoński, Katarzyna Rycerz, Daniel Harezlak
2013 Procedia Computer Science  
We present a global overview of the methodology developed within the MAPPER European project to design, implement and run a multiscale simulation on a distributed supercomputing infrastructure.  ...  A performance model describing the execution time of the application as a function of its spatial resolution and the hardware performance is proposed.  ...  Numerical simulations were carried out in part on the Pl-Grid infrastructure, part of the European grid infrastructure.  ... 
doi:10.1016/j.procs.2013.05.276 fatcat:bov2d2i3bfd57anobmrvgx7pzm

Performance of distributed multiscale simulations

J. Borgdorff, M. Ben Belgacem, C. Bona-Casas, L. Fazendeiro, D. Groen, O. Hoenen, A. Mizeranschi, J. L. Suter, D. Coster, P. V. Coveney, W. Dubitzky, A. G. Hoekstra (+2 others)
2014 Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences  
MultiGrain/MAPPER is a distributed multiscale computing application designed for modelling and simulation of large GRN systems based on MAPPER multiscale computing solutions.  ...  The framework gives guidelines and tools for constructing, describing and implementing multiscale models in a component-based way.  ... 
doi:10.1098/rsta.2013.0407 pmid:24982258 pmcid:PMC4084531 fatcat:p46v5saj3zealafus5flvrtuhi

Multiscale computing in the exascale era

Saad Alowayyed, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra
2017 Journal of Computational Science  
Multiscale computing in the exascale era Alowayyed, S.A.; Groen, D.J.; Coveney, P.V.; Hoekstra, A.G. a b s t r a c t We expect that multiscale simulations will be one of the main high performance computing  ...  Multiscale computing patterns should lead to a separation of concerns, whereby application developers can compose multiscale models and execute multiscale simulations, while pattern software realises optimized  ...  The pattern is based on the heterogeneous multiscale method (HMM) [2, 62] , which are a class of modelling approaches wherein the constitutive equations of a local state in the macroscale system of interest  ... 
doi:10.1016/j.jocs.2017.07.004 fatcat:6yvgpgjzrveqlikomjlp5fyhfq

Hierarchical multiscale model-based design of experiments, catalysts, and reactors for fuel processing

D.G. Vlachos, A.B. Mhadeshwar, N.S. Kaisare
2006 Computers and Chemical Engineering  
It is proposed that hierarchical multiscale modeling offers a systematic framework for identification of the important scale(s) and model(s) where one should focus research efforts on.  ...  In this paper a hierarchical multiscale simulation framework is outlined and experimental data injection into this framework is discussed.  ...  We propose that this new branch of multiscale modeling is a systematic framework to address the important question of which scales and models should one focus on.  ... 
doi:10.1016/j.compchemeng.2006.05.033 fatcat:mqsxlmniqfgpdailpmzeds46qy

Nonequilibrium multiscale computational model

Xiaohu Liu, Shaofan Li
2007 Journal of Chemical Physics  
A computational multiscale method is proposed to simulate coupled, nonequilibrium thermomechanical processes.  ...  This multiscale framework couples together thermomechanical equations at the coarse scale with nonequilibrium molecular dynamics at the fine scale.  ...  ACKNOWLEDGMENT This work is supported by a grant from NSF ͑Grant No. CMS-0239130͒, which is greatly appreciated.  ... 
doi:10.1063/1.2711432 pmid:17411106 fatcat:3ceiwxtckrcpflqkmsog2i3ofq

Multiscale fault classification framework using kernel principal component analysis and k-nearest neighbors for chemical process system

Muhammad Nawaz, Abdulhalim Shah Maulud, Haslinda Zabiri, A. Nzihou, R. Boopathy, M. Nasef, S. Yusup, D.C.W. Tsang, N.A. Amran, B. Abdullah
2021 E3S Web of Conferences  
Initially, a moving window-based WT is used to extract multiscale information from process data in time and frequency simultaneously at different scales.  ...  The performance of the proposed multi-scale KPCA-KNN framework is analyzed and compared using a continuous stirred tank reactor (CSTR) system as a case study.  ...  This paper proposes a new fault classification framework using a wavelet-based multiscale KPCA and K nearest neighbors (KNN) classifier.  ... 
doi:10.1051/e3sconf/202128703011 fatcat:rdzzirbsnrayzk7ygd6zeyidvi

Variational Multiscale Methods for incompressible flows

V. Gravemeier, S. Lenz, W.A. Wall
2007 International Journal of Computing Science and Mathematics  
In the corresponding talk, we will present the general framework of a two-and a three-scale separation of the incompressible Navier-Stokes equations based on the variational multiscale method as proposed  ...  Three different methods are investigated: the dynamic Smagorinsky (DS) model in a nonmultiscale application, the constant-coefficient-based Smagorinsky model within the multiscale environment (CMS), and  ... 
doi:10.1504/ijcsm.2007.016545 fatcat:4js3h7spszfo7njmrmxprgw7iu
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