Mona Fuhrländer, Niklas Georg, U. Römer, S. Schöps
{"title":"YIELD OPTIMIZATION BASED ON ADAPTIVE NEWTON-MONTE CARLO AND POLYNOMIAL SURROGATES","authors":"Mona Fuhrländer, Niklas Georg, U. Römer, S. Schöps","doi":"10.1615/int.j.uncertaintyquantification.2020033344","DOIUrl":"https://doi.org/10.1615/int.j.uncertaintyquantification.2020033344","url":null,"abstract":"In this paper we present an algorithm for yield estimation and optimization exploiting Hessian based optimization methods, an adaptive Monte Carlo (MC) strategy, polynomial surrogates and several error indicators. Yield estimation is used to quantify the impact of uncertainty in a manufacturing process. Since computational efficiency is one main issue in uncertainty quantification, we propose a hybrid method, where a large part of a MC sample is evaluated with a surrogate model, and only a small subset of the sample is re-evaluated with a high fidelity finite element model. In order to determine this critical fraction of the sample, an adjoint error indicator is used for both the surrogate error and the finite element error. For yield optimization we propose an adaptive Newton-MC method. We reduce computational effort and control the MC error by adaptively increasing the sample size. The proposed method minimizes the impact of uncertainty by optimizing the yield. It allows to control the finite element error, surrogate error and MC error. At the same time it is much more efficient than standard MC approaches combined with standard Newton algorithms.","PeriodicalId":178066,"journal":{"name":"arXiv: Computational Engineering, Finance, and Science","volume":"290 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134493900","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Niklas Georg, Dimitrios Loukrezis, U. Römer, S. Schöps
{"title":"ENHANCED ADAPTIVE SURROGATE MODELS WITH APPLICATIONS IN UNCERTAINTY QUANTIFICATION FOR NANOPLASMONICS","authors":"Niklas Georg, Dimitrios Loukrezis, U. Römer, S. Schöps","doi":"10.1615/int.j.uncertaintyquantification.2020031727","DOIUrl":"https://doi.org/10.1615/int.j.uncertaintyquantification.2020031727","url":null,"abstract":"We propose an efficient surrogate modeling technique for uncertainty quantification. The method is based on a well-known dimension-adaptive collocation scheme. We improve the scheme by enhancing sparse polynomial surrogates with conformal maps and adjoint error correction. The methodology is applied to Maxwell's source problem with random input data. This setting comprises many applications of current interest from computational nanoplasmonics, such as grating couplers or optical waveguides. Using a non-trivial benchmark model we show the benefits and drawbacks of using enhanced surrogate models through various numerical studies. The proposed strategy allows us to conduct a thorough uncertainty analysis, taking into account a moderately large number of random parameters.","PeriodicalId":178066,"journal":{"name":"arXiv: Computational Engineering, Finance, and Science","volume":"146 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116458855","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"On an implicit return-mapping operator in Mohr-Coulomb plasticity and its derivation via subdifferential theory","authors":"S. Sysala, M. Čermák","doi":"10.1002/zamm.201600215","DOIUrl":"https://doi.org/10.1002/zamm.201600215","url":null,"abstract":"The paper is devoted to the numerical solution of an elastoplastic constitutive initial value problem containing the Mohr-Coulomb yield criterion, a nonassociative plastic flow rule, and a nonlinear isotropic hardening. The constitutive problem is discretized by the implicit Euler method. Instead of the conventional Koiter formulations, we define the plastic flow rule using the subdifferential of the plastic potential to keep just one plastic multiplier and derive some formulas regardless a type of the return to the yield surface. This idea simplifies the solution scheme so that one can a priori decide about the return type even if the nonlinear hardening is introduced. Moreover, one can easily analyze the mathematical properties of the stress-strain operator and consequently simplify construction of the consistent tangent operator. These operators are used for solving the corresponding incremental boundary-value problem by the semismooth Newton method. The remaining part of the paper is focused on incremental limit analysis. The direct and also indirect controls of the loading process are considered and used in 2D and 3D numerical experiments on slope stability. The related Matlab codes are available.","PeriodicalId":178066,"journal":{"name":"arXiv: Computational Engineering, Finance, and Science","volume":"84 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116309477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A Study of Speed of the Boundary Element Method as applied to the Realtime Computational Simulation of Biological Organs","authors":"K. Kumara","doi":"10.14713/EJBE.V12I2.1841","DOIUrl":"https://doi.org/10.14713/EJBE.V12I2.1841","url":null,"abstract":"In this work, possibility of simulating biological organs in realtime using the Boundary Element Method (BEM) is investigated. Biological organs are assumed to follow linear elastostatic material behavior, and constant boundary element is the element type used. First, a Graphics Processing Unit (GPU) is used to speed up the BEM computations to achieve the realtime performance. Next, instead of the GPU, a computer cluster is used. Results indicate that BEM is fast enough to provide for realtime graphics if biological organs are assumed to follow linear elastostatic material behavior. Although the present work does not conduct any simulation using nonlinear material models, results from using the linear elastostatic material model imply that it would be difficult to obtain realtime performance if highly nonlinear material models that properly characterize biological organs are used. Although the use of BEM for the simulation of biological organs is not new, the results presented in the present study are not found elsewhere in the literature.","PeriodicalId":178066,"journal":{"name":"arXiv: Computational Engineering, Finance, and Science","volume":"36 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131155351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Alex Graudenzi, G. Caravagna, G. Mauri, M. Antoniotti
{"title":"Preface - Proc. Wivace 2013 - Italian Workshop on Artificial Life and Evolutionary Computation","authors":"Alex Graudenzi, G. Caravagna, G. Mauri, M. Antoniotti","doi":"10.4204/EPTCS.130","DOIUrl":"https://doi.org/10.4204/EPTCS.130","url":null,"abstract":"The Wivace 2013 Electronic Proceedings in Theoretical Computer Science (EPTCS) contain some selected long and short articles accepted for the presentation at Wivace 2013 - Italian Workshop on Artificial Life and Evolutionary Computation, which was held at the University of Milan-Bicocca, Milan, on the 1st and 2nd of July, 2013.","PeriodicalId":178066,"journal":{"name":"arXiv: Computational Engineering, Finance, and Science","volume":"20 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122587645","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Algorithmic Data Analytics, Small Data Matters and Correlation versus Causation","authors":"H. Zenil","doi":"10.1007/978-3-658-12153-2_22","DOIUrl":"https://doi.org/10.1007/978-3-658-12153-2_22","url":null,"abstract":"","PeriodicalId":178066,"journal":{"name":"arXiv: Computational Engineering, Finance, and Science","volume":"62 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121351718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Proceedings Fourth International Workshop on Computational Models for Cell Processes","authors":"I. Petre, E. D. Vink","doi":"10.4204/EPTCS.67","DOIUrl":"https://doi.org/10.4204/EPTCS.67","url":null,"abstract":"This volume contains the final versions of the papers presented at the 3rd International Workshop on Computational Models for Cell Processes (CompMod 2011). The workshop took place on September 10, 2011 at the University of Aachen, Germany, in conjunction with CONCUR 2011. The first edition of the workshop (2008) took place in Turku, Finland, in conjunction with Formal Methods 2008 and the second edition (2009) took place in Eindhoven, the Netherlands, as well in conjunction with Formal Methods 2009. The goal of the CompMod workshop series is to bring together researchers in Computer Science (especially in Formal Methods) and Mathematics (both discrete and continuous), interested in the opportunities and the challenges of Systems Biology.","PeriodicalId":178066,"journal":{"name":"arXiv: Computational Engineering, Finance, and Science","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2011-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130949056","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"An optimization strategy on prion AGAAAAGA amyloid fibril molecular modeling","authors":"Jiapu Zhang","doi":"10.2478/s11535-011-0088-7","DOIUrl":"https://doi.org/10.2478/s11535-011-0088-7","url":null,"abstract":"X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy are two powerful tools to determine the protein 3D structure. However, not all proteins can be successfully crystallized, particularly for membrane proteins. Although NMR spectroscopy is indeed very powerful in determining the 3D structures of membrane proteins, same as X-ray crystallography, it is still very time-consuming and expensive. Under many circumstances, due to the noncrystalline and insoluble nature of some proteins, X-ray and NMR cannot be used at all. Computational approaches, however, allow us to obtain a description of the protein 3D structure at a submicroscopic level. \u0000To the best of the author's knowledge, there is little structural data available to date on the AGAAAAGA palindrome in the hydrophobic region (113--120) of prion proteins, which falls just within the N-terminal unstructured region (1--123) of prion proteins. Many experimental studies have shown that the AGAAAAGA region has amyloid fibril forming properties and plays an important role in prion diseases. However, due to the noncrystalline and insoluble nature of the amyloid fibril, little structural data on the AGAAAAGA is available. This paper introduces a simple optimization strategy approach to address the 3D atomic-resolution structure of prion AGAAAAGA amyloid fibrils. Atomic-resolution structures of prion AGAAAAGA amyloid fibrils got in this paper are useful for the drive to find treatments for prion diseases in the field of medicinal chemistry.","PeriodicalId":178066,"journal":{"name":"arXiv: Computational Engineering, Finance, and Science","volume":"27 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2010-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121046921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Opportunity Cost Algorithms for Combinatorial Auctions","authors":"Akcoglu Karhan, A. James, D. Bhaskar, Ming-Yang","doi":"10.1007/978-1-4757-3613-7_23","DOIUrl":"https://doi.org/10.1007/978-1-4757-3613-7_23","url":null,"abstract":"","PeriodicalId":178066,"journal":{"name":"arXiv: Computational Engineering, Finance, and Science","volume":"42 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2000-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133219641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}