Metamodel-based subset simulation adaptable to target computational capacities: the case for high-dimensional and rare event reliability analysis

Author(s):  
Zeyu Wang ◽  
Abdollah Shafieezadeh
Author(s):  
Zequn Wang ◽  
Mingyang Li

Abstract Conventional uncertainty quantification methods usually lacks the capability of dealing with high-dimensional problems due to the curse of dimensionality. This paper presents a semi-supervised learning framework for dimension reduction and reliability analysis. An autoencoder is first adopted for mapping the high-dimensional space into a low-dimensional latent space, which contains a distinguishable failure surface. Then a deep feedforward neural network (DFN) is utilized to learn the mapping relationship and reconstruct the latent space, while the Gaussian process (GP) modeling technique is used to build the surrogate model of the transformed limit state function. During the training process of the DFN, the discrepancy between the actual and reconstructed latent space is minimized through semi-supervised learning for ensuring the accuracy. Both labeled and unlabeled samples are utilized for defining the loss function of the DFN. Evolutionary algorithm is adopted to train the DFN, then the Monte Carlo simulation method is used for uncertainty quantification and reliability analysis based on the proposed framework. The effectiveness is demonstrated through a mathematical example.


2016 ◽  
Vol 113 (23) ◽  
pp. E3221-E3230 ◽  
Author(s):  
Hao Wu ◽  
Fabian Paul ◽  
Christoph Wehmeyer ◽  
Frank Noé

We introduce the general transition-based reweighting analysis method (TRAM), a statistically optimal approach to integrate both unbiased and biased molecular dynamics simulations, such as umbrella sampling or replica exchange. TRAM estimates a multiensemble Markov model (MEMM) with full thermodynamic and kinetic information at all ensembles. The approach combines the benefits of Markov state models—clustering of high-dimensional spaces and modeling of complex many-state systems—with those of the multistate Bennett acceptance ratio of exploiting biased or high-temperature ensembles to accelerate rare-event sampling. TRAM does not depend on any rate model in addition to the widely used Markov state model approximation, but uses only fundamental relations such as detailed balance and binless reweighting of configurations between ensembles. Previous methods, including the multistate Bennett acceptance ratio, discrete TRAM, and Markov state models are special cases and can be derived from the TRAM equations. TRAM is demonstrated by efficiently computing MEMMs in cases where other estimators break down, including the full thermodynamics and rare-event kinetics from high-dimensional simulation data of an all-atom protein–ligand binding model.


Author(s):  
Yanwen Xu ◽  
Pingfeng Wang

Abstract Analysis of rare failure events accurately is often challenging with an affordable computational cost in many engineering applications, and this is especially true for problems with high dimensional system inputs. The extremely low probabilities of occurrences for those rare events often lead to large probability estimation errors and low computational efficiency. Thus, it is vital to develop advanced probability analysis methods that are capable of providing robust estimations of rare event probabilities with narrow confidence bounds. Generally, confidence intervals of an estimator can be established based on the central limit theorem, but one of the critical obstacles is the low computational efficiency, since the widely used Monte Carlo method often requires a large number of simulation samples to derive a reasonably narrow confidence interval. This paper develops a new probability analysis approach that can be used to derive the estimates of rare event probabilities efficiently with narrow estimation bounds simultaneously for high dimensional problems. The asymptotic behaviors of the developed estimator has also been proved theoretically without imposing strong assumptions. Further, an asymptotic confidence interval is established for the developed estimator. The presented study offers important insights into the robust estimations of the probability of occurrences for rare events. The accuracy and computational efficiency of the developed technique is assessed with numerical and engineering case studies. Case study results have demonstrated that narrow bounds can be built efficiently using the developed approach, and the true values have always been located within the estimation bounds, indicating that good estimation accuracy along with a significantly improved efficiency.


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