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A comparison of mixed-variables Bayesian optimization approaches 混合变量贝叶斯优化方法的比较
Q3 MECHANICS Pub Date : 2022-06-09 DOI: 10.1186/s40323-022-00218-8
Cuesta Ramirez, Jhouben, Le Riche, Rodolphe, Roustant, Olivier, Perrin, Guillaume, Durantin, Cédric, Glière, Alain
Most real optimization problems are defined over a mixed search space where the variables are both discrete and continuous. In engineering applications, the objective function is typically calculated with a numerically costly black-box simulation. General mixed and costly optimization problems are therefore of a great practical interest, yet their resolution remains in a large part an open scientific question. In this article, costly mixed problems are approached through Gaussian processes where the discrete variables are relaxed into continuous latent variables. The continuous space is more easily harvested by classical Bayesian optimization techniques than a mixed space would. Discrete variables are recovered either subsequently to the continuous optimization, or simultaneously with an additional continuous-discrete compatibility constraint that is handled with augmented Lagrangians. Several possible implementations of such Bayesian mixed optimizers are compared. In particular, the reformulation of the problem with continuous latent variables is put in competition with searches working directly in the mixed space. Among the algorithms involving latent variables and an augmented Lagrangian, a particular attention is devoted to the Lagrange multipliers for which a local and a global estimation techniques are studied. The comparisons are based on the repeated optimization of three analytical functions and a beam design problem.
大多数实际的优化问题都是在一个混合搜索空间中定义的,其中变量是离散的和连续的。在工程应用中,目标函数通常是通过数值昂贵的黑盒模拟来计算的。因此,一般的混合和昂贵的优化问题具有很大的实际意义,但它们的解决在很大程度上仍然是一个开放的科学问题。本文通过高斯过程,将离散变量松弛为连续潜变量,研究了代价昂贵的混合问题。与混合空间相比,经典贝叶斯优化技术更容易获得连续空间。离散变量要么在连续优化之后恢复,要么与附加的连续-离散兼容约束同时恢复,该约束由增广拉格朗日量处理。比较了这种贝叶斯混合优化器的几种可能实现。特别是,具有连续潜变量的问题的重新表述与直接在混合空间中工作的搜索相竞争。在涉及隐变量和增广拉格朗日的算法中,特别关注了拉格朗日乘子的局部估计和全局估计技术。比较是基于三个解析函数的重复优化和一个梁的设计问题。
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引用次数: 8
Physics-informed neural networks approach for 1D and 2D Gray-Scott systems 一维和二维Gray-Scott系统的物理信息神经网络方法
Q3 MECHANICS Pub Date : 2022-05-25 DOI: 10.1186/s40323-022-00219-7
Giampaolo, Fabio, De Rosa, Mariapia, Qi, Pian, Izzo, Stefano, Cuomo, Salvatore
Nowadays, in the Scientific Machine Learning (SML) research field, the traditional machine learning (ML) tools and scientific computing approaches are fruitfully intersected for solving problems modelled by Partial Differential Equations (PDEs) in science and engineering applications. Challenging SML methodologies are the new computational paradigms named Physics-Informed Neural Networks (PINNs). PINN has revolutionized the classical adoption of ML in scientific computing, representing a novel class of promising algorithms where the learning process is constrained to satisfy known physical laws described by differential equations. In this paper, we propose a PINN-based computational study to deal with a non-linear partial differential equations system. In particular, using this approach, we solve the Gray-Scott model, a reaction–diffusion system that involves an irreversible chemical reaction between two reactants. In the unstable region of the model, we consider some a priori information related to dynamical behaviors, i. e. a supervised approach that relies on a finite difference method (FDM). Finally, simulation results show that PINNs can successfully provide an approximated Grey-Scott system solution, reproducing the characteristic Turing patterns for different parameter configurations.
目前,在科学机器学习(SML)研究领域,传统的机器学习(ML)工具和科学计算方法在解决科学和工程应用中的偏微分方程(PDEs)建模问题方面取得了丰硕的成果。具有挑战性的SML方法是新的计算范式,称为物理信息神经网络(pinn)。PINN彻底改变了ML在科学计算中的经典应用,代表了一类新的有前途的算法,其中学习过程受到约束,以满足由微分方程描述的已知物理定律。本文提出了一种基于pup的非线性偏微分方程组的计算方法。特别是,使用这种方法,我们解决了Gray-Scott模型,这是一个涉及两个反应物之间不可逆化学反应的反应扩散系统。在模型的不稳定区域,我们考虑了一些与动力学行为相关的先验信息,即依赖于有限差分法(FDM)的监督方法。最后,仿真结果表明,pinn可以成功地提供近似的gray - scott系统解,再现不同参数配置下的特征图灵模式。
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引用次数: 9
Finite element method-enhanced neural network for forward and inverse problems 正反问题的有限元增强神经网络
Q3 MECHANICS Pub Date : 2022-05-17 DOI: 10.1186/s40323-023-00243-1
R. Meethal, A. Kodakkal, Mohamed Khalil, A. Ghantasala, B. Obst, K. Bletzinger, R. Wüchner
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引用次数: 4
Spline-based specimen shape optimization for robust material model calibration 基于样条曲线的稳健材料模型标定试件形状优化
Q3 MECHANICS Pub Date : 2022-05-16 DOI: 10.1186/s40323-022-00217-9
M. Chapelier, R. Bouclier, J. Passieux
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引用次数: 0
An updated Gappy-POD to capture non-parameterized geometrical variation in fluid dynamics problems 一个更新的Gappy-POD捕捉流体动力学问题的非参数化几何变化
Q3 MECHANICS Pub Date : 2022-03-11 DOI: 10.1186/s40323-022-00215-x
N. Akkari, F. Casenave, D. Ryckelynck, C. Rey
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引用次数: 0
Domain decomposition involving subdomain separable space representations for solving parametric problems in complex geometries 涉及子域可分离空间表示的复杂几何参数问题的域分解
Q3 MECHANICS Pub Date : 2022-03-07 DOI: 10.1186/s40323-022-00216-w
M. Kazemzadeh-Parsi, A. Ammar, F. Chinesta
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引用次数: 5
Metamodeling techniques for CPU-intensive simulation-based design optimization: a survey 基于cpu密集仿真的设计优化的元建模技术:综述
Q3 MECHANICS Pub Date : 2022-02-18 DOI: 10.1186/s40323-022-00214-y
Hanane Khatouri, T. Benamara, P. Breitkopf, Jean Demange
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引用次数: 1
Spline-based specimen shape optimization for robust material model calibration 基于样条的试件形状优化鲁棒材料模型校准
Q3 MECHANICS Pub Date : 2022-01-05 DOI: 10.21203/rs.3.rs-1153344/v1
M. Chapelier, R. Bouclier, J. Passieux
Identification from field measurements allows several parameters to be identified from a single test, provided that the measurements are sensitive enough to the parameters to be identified. To do this, authors use empirically defined geometries (with holes, notches...). The first attempts to optimize the specimen to maximize the sensitivity of the measurement are linked to a design space that is either very small (parametric optimization), which does not allow the exploration of very different designs, or, conversely, very large (topology optimization), which sometimes leads to designs that are not regular and cannot be manufactured. In this paper, an intermediate approach based on a non-invasive CAD-inspired optimization strategy is proposed. It relies on the definition of univariate spline Free-Form Deformation boxes to reduce the design space and thus regularize the problem. Then, from the modeling point of view, a new objective function is proposed that takes into account the experimental setup and constraint functions are added to ensure that the gain is real and the shape physically sound. Several examples show that with this method and at low cost, one can significantly improve the identification of constitutive parameters without changing the experimental setup.
现场测量识别允许从单个测试中识别多个参数,前提是测量对要识别的参数足够敏感。为了做到这一点,作者使用经验定义的几何形状(有孔、缺口……)。优化样品以最大化测量灵敏度的第一次尝试与设计空间相关联,该设计空间要么很小(参数优化),这不允许探索非常不同的设计,或者相反,非常大(拓扑优化),这有时会导致不规则的设计,无法制造。本文提出了一种基于非侵入式cad优化策略的中间方法。它依赖于单变量样条自由变形盒的定义来减小设计空间,从而使问题正则化。然后,从建模的角度出发,提出了一个考虑实验设置的新目标函数,并增加了约束函数,以确保增益真实,形状物理合理。实例表明,该方法在不改变实验装置的情况下,以较低的成本显著提高了本构参数的识别效果。
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引用次数: 0
POD-Galerkin reduced order models and physics-informed neural networks for solving inverse problems for the Navier–Stokes equations 求解Navier-Stokes方程反问题的POD Galerkin降阶模型和基于物理的神经网络
Q3 MECHANICS Pub Date : 2021-12-22 DOI: 10.1186/s40323-023-00242-2
Saddam Hijazi, M. Freitag, Niels Landwehr
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引用次数: 6
Stress-constrained topology optimization using approximate reanalysis with on-the-fly reduced order modeling 基于近似再分析和动态降阶建模的应力约束拓扑优化
Q3 MECHANICS Pub Date : 2021-12-10 DOI: 10.1186/s40323-022-00231-x
M. Xiao, Jun Ma, Dongcheng Lu, B. Raghavan, Weihong Zhang
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引用次数: 1
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Advanced Modeling and Simulation in Engineering Sciences
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