Modern computational methods, involving highly sophisticated mathematical formulations, enable several tasks like modeling complex physical phenomenon, predicting key properties and design optimization. The higher fidelity in these computer models makes it computationally intensive to query them hundreds of times for optimization and one usually relies on a simplified model albeit at the cost of losing predictive accuracy and precision. Towards this, data-driven surrogate modeling methods have shown a lot of promise in emulating the behavior of the expensive computer models. However, a major bottleneck in such methods is the inability to deal with high input dimensionality and the need for relatively large datasets. With such problems, the input and output quantity of interest are tensors of high dimensionality. Commonly used surrogate modeling methods for such problems, suffer from requirements like high number of computational evaluations that precludes one from performing other numerical tasks like uncertainty quantification and statistical analysis. In this work, we propose an end-to-end approach that maps a high-dimensional image like input to an output of high dimensionality or its key statistics. Our approach uses two main framework that perform three steps: a) reduce the input and output from a high-dimensional space to a reduced or low-dimensional space, b) model the input-output relationship in the low-dimensional space, and c) enable the incorporation of domain-specific physical constraints as masks. In order to accomplish the task of reducing input dimensionality we leverage principal component analysis, that is coupled with two surrogate modeling methods namely: a) Bayesian hybrid modeling, and b) DeepHyper's deep neural networks. We demonstrate the applicability of the approach on a problem of a linear elastic stress field data.
翻译:现代计算方法涉及高度复杂的数学公式,可实现诸如建模复杂物理现象,预测关键属性和设计优化等多种任务。这些计算模型的更高保真度使得查询它们成为计算密集型并需要大量的计算资源。这通常需要使用简化模型,尽管以损失预测准确度和精度为代价。为此,数据驱动的代理建模方法已经显示出了非常好的前景,可模拟昂贵计算模型的行为。然而,这样的方法的一个主要瓶颈是无法处理高输入维度和需要相对较大的数据集。在这种情况下,输入量和输出量是高维度的张量。常用的解决高维度代理建模的方法,不能同时满足评估次数和执行不确定性量化、统计分析等其他数值任务的需求。在本工作中,我们提出了一种端到端的方法,将高维图像样本映射到高维输出或其主要统计量。我们的方法使用两个框架,分别执行三个步骤:a) 将高维度输入和输出量减少到低维度空间;b) 在低维度空间中建模输入-输出关系;c) 通过模板约束,使其能够纳入具体领域的物理约束。为解决输入维度高的问题,我们利用主成分分析,将其与两种代理建模方法即:a) 贝叶斯混合建模,和 b) DeepHyper的深层神经网络耦合。我们展示了该方法在高维度张量线弹性应力场数据问题上的应用。