通过可视化参数分布,帮研究者发现满足特定输出特征的多种可能参数组合。
Seeing the Many: Exploring Parameter Distributions Conditioned on Features in Surrogates
- 用密度估计建模代理模型误差,只在训练数据附近给出高置信度
- 结合特征似然与先验分布,高效采样出能生成目标特征的参数
- 适用于需要探索多解可能性的科学模拟逆问题,如气候或材料仿真
近年来,神经代理模型已成为传统模拟流程的有力替代方案,通过建模科学模拟的潜在函数,避免昂贵的模拟运行。除了从输入参数映射到输出外,代理模型还可用于反问题:从输出反推输入参数。反问题可视为搜索过程,目标是找到使代理输出包含指定特征的参数。然而,在高维参数空间中寻找这些参数可能代价高昂。现有方法主要聚焦于找到少量匹配参数,忽略了更广泛的合理参数范围。本文旨在建模并可视化生成特定输出特征的输入参数分布。为此,我们解决两个挑战:(1)代理模型固有的近似误差;(2)交互式构建参数分布。我们通过密度估计建模误差,仅当参数配置在输入和输出空间上均接近训练数据时才报告高密度。该密度估计作为参数的先验信念,结合特征似然后,可高效采样出生成目标特征的合理参数配置。我们在三个模拟数据集上通过可视化界面展示了该方法在特征驱动参数分析中的实用性。源代码已公开于 https://github.com/matthewberger/seeing-the-many。
原文摘要 · Abstract (English)
Recently, neural surrogate models have emerged as a compelling alternative to traditional simulation workflows. This is accomplished by modeling the underlying function of scientific simulations, removing the need to run expensive simulations. Beyond just mapping from input parameter to output, surrogates have also been shown useful for inverse problems: output to input parameters. Inverse problems can be understood as search, where we aim to find parameters whose surrogate outputs contain a specified feature. Yet finding these parameters can be costly, especially for high-dimensional parameter spaces. Thus, existing surrogate-based solutions primarily focus on finding a small set of matching parameters, in the process overlooking the broader picture of plausible parameters. Our work aims to model and visualize the distribution of possible input parameters that produce a given output feature. To achieve this goal, we aim to address two challenges: (1) the approximation error inherent in the surrogate model and (2) forming the parameter distribution in an interactive manner. We model error via density estimation, reporting high density only if a given parameter configuration is close to training parameters, measured both over the input and output space. Our density estimate is used to form a prior belief on parameters, and when combined with a likelihood on features, gives us an efficient way to sample plausible parameter configurations that generate a target output feature. We demonstrate the usability of our solution through a visualization interface by performing feature-driven parameter analysis over the input parameter space of three simulation datasets. Source code is available at https://github.com/matthewberger/seeing-the-many
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