{"title":"将因子机与量子退火应用于粒流模拟中的超参数优化和基于元模型的优化","authors":"Junsen Xiao, Katsuhiro Endo, Mayu Muramatsu, Reika Nomura, Shuji Moriguchi, Kenjiro Terada","doi":"10.1002/nag.3800","DOIUrl":null,"url":null,"abstract":"<p>This study examined the applicability of factorization machines with quantum annealing (FMQA) to the field of landslide risk assessment for two specific black-box optimization problems, hyperparameter optimization (HPO) for metamodeling and metamodel-based simulation optimization (MBSO) targeting granular flow simulation using discrete element method (DEM). These two optimization problems are solved successively: HPO is first performed to determine the hyperparameters of the Gaussian process regression (GPR) metamodel, which is then used as a low-cost, fast approximate solver of granular flow simulations for MBSO. After conducting a series of granular flow simulations using DEM, a metamodel is created that outputs a risk index of interest, the run-out distance, from its input parameters by employing GPR with two hyperparameters, length-scale and signal variance. Subsequently, HPO is performed to obtain the optimal set of hyperparameters by applying FMQA and other optimization methods using another set of hyperparameters determined using the gradient-ascent method as the reference solution. Finally, using the metamodel created by each optimization method as an approximate solver for DEM simulations, MBSO is performed to find the optimal target output, the maximum run-out distance, in the space of physical input parameters for risk assessment. A comparison of the performance of FMQA with that of other methods shows that FMQA is competitive in terms of efficiency and stability with state-of-the-art algorithms such as Bayesian optimization.</p>","PeriodicalId":13786,"journal":{"name":"International Journal for Numerical and Analytical Methods in Geomechanics","volume":"48 13","pages":"3432-3451"},"PeriodicalIF":3.4000,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/nag.3800","citationCount":"0","resultStr":"{\"title\":\"Application of factorization machine with quantum annealing to hyperparameter optimization and metamodel-based optimization in granular flow simulations\",\"authors\":\"Junsen Xiao, Katsuhiro Endo, Mayu Muramatsu, Reika Nomura, Shuji Moriguchi, Kenjiro Terada\",\"doi\":\"10.1002/nag.3800\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>This study examined the applicability of factorization machines with quantum annealing (FMQA) to the field of landslide risk assessment for two specific black-box optimization problems, hyperparameter optimization (HPO) for metamodeling and metamodel-based simulation optimization (MBSO) targeting granular flow simulation using discrete element method (DEM). 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引用次数: 0
摘要
本研究考察了因子机与量子退火(FMQA)在滑坡风险评估领域对两个特定黑箱优化问题的适用性,这两个问题分别是用于元建模的超参数优化(HPO)和基于元模型的模拟优化(MBSO),后者针对的是使用离散元法(DEM)进行的颗粒流模拟。这两个优化问题是相继解决的:首先通过 HPO 确定高斯过程回归元模型(GPR)的超参数,然后将其用作 MBSO 中颗粒流模拟的低成本快速近似求解器。在使用 DEM 进行一系列粒状流模拟后,创建了一个元模型,通过使用具有长度尺度和信号方差两个超参数的 GPR,从其输入参数中输出相关风险指数--跑出距离。随后,通过应用 FMQA 和其他优化方法,使用梯度上升法确定的另一组超参数作为参考解,执行 HPO 以获得最优超参数集。最后,使用每种优化方法创建的元模型作为 DEM 仿真的近似求解器,执行 MBSO,在物理输入参数空间中找到最佳目标输出,即最大跑偏距离,以进行风险评估。FMQA 与其他方法的性能比较表明,FMQA 与贝叶斯优化等最先进的算法相比,在效率和稳定性方面都具有竞争力。
Application of factorization machine with quantum annealing to hyperparameter optimization and metamodel-based optimization in granular flow simulations
This study examined the applicability of factorization machines with quantum annealing (FMQA) to the field of landslide risk assessment for two specific black-box optimization problems, hyperparameter optimization (HPO) for metamodeling and metamodel-based simulation optimization (MBSO) targeting granular flow simulation using discrete element method (DEM). These two optimization problems are solved successively: HPO is first performed to determine the hyperparameters of the Gaussian process regression (GPR) metamodel, which is then used as a low-cost, fast approximate solver of granular flow simulations for MBSO. After conducting a series of granular flow simulations using DEM, a metamodel is created that outputs a risk index of interest, the run-out distance, from its input parameters by employing GPR with two hyperparameters, length-scale and signal variance. Subsequently, HPO is performed to obtain the optimal set of hyperparameters by applying FMQA and other optimization methods using another set of hyperparameters determined using the gradient-ascent method as the reference solution. Finally, using the metamodel created by each optimization method as an approximate solver for DEM simulations, MBSO is performed to find the optimal target output, the maximum run-out distance, in the space of physical input parameters for risk assessment. A comparison of the performance of FMQA with that of other methods shows that FMQA is competitive in terms of efficiency and stability with state-of-the-art algorithms such as Bayesian optimization.
期刊介绍:
The journal welcomes manuscripts that substantially contribute to the understanding of the complex mechanical behaviour of geomaterials (soils, rocks, concrete, ice, snow, and powders), through innovative experimental techniques, and/or through the development of novel numerical or hybrid experimental/numerical modelling concepts in geomechanics. Topics of interest include instabilities and localization, interface and surface phenomena, fracture and failure, multi-physics and other time-dependent phenomena, micromechanics and multi-scale methods, and inverse analysis and stochastic methods. Papers related to energy and environmental issues are particularly welcome. The illustration of the proposed methods and techniques to engineering problems is encouraged. However, manuscripts dealing with applications of existing methods, or proposing incremental improvements to existing methods – in particular marginal extensions of existing analytical solutions or numerical methods – will not be considered for review.