用变分图网络同时量化物理逆问题的不确定性和置信区间。
Variational Graph Neural Networks for Uncertainty Quantification in Inverse Problems
- 在解码器中引入变分层,以低开销建模权重概率分布。
- 在二维弹性模量反演和三维超弹性梁载荷定位中均实现高精度与合理置信区间。
- 适合需要可靠性评估的工程仿真与数字孪生场景。
深度学习在计算力学中的广泛应用显著加速了以往难以解决的问题。但在工程或医学领域的数字孪生等关键应用中,仅快速响应不够,还需提供可靠的预测结果。传统确定性方法无法衡量预测置信度,尤其在解不唯一或数据含噪声的逆问题中表现不足;经典神经网络也缺乏明确的不确定性量化机制。本文提出一种变分图神经网络(VGNN),将变分层嵌入架构中,以建模权重的概率分布。相比全贝叶斯网络,本方法仅在解码器中引入变分层,大幅降低计算成本,可同时估计认知不确定性和统计不确定性。我们在两个固体力学逆问题中验证:一是二维非线性分布弹性模量识别,二是三维超弹性梁上载荷位置与大小的定位与量化,均仅使用位移场作为输入。结果表明,模型不仅能高精度恢复物理参数,还能生成符合物理规律的置信区间,并准确判断载荷位置及对应值的不确定性。
原文摘要 · Abstract (English)
The increasingly wide use of deep machine learning techniques in computational mechanics has significantly accelerated simulations of problems that were considered unapproachable just a few years ago. However, in critical applications such as Digital Twins for engineering or medicine, fast responses are not enough; reliable results must also be provided. In certain cases, traditional deterministic methods may not be optimal as they do not provide a measure of confidence in their predictions or results, especially in inverse problems where the solution may not be unique or the initial data may not be entirely reliable due to the presence of noise, for instance. Classic deep neural networks also lack a clear measure to quantify the uncertainty of their predictions. In this work, we present a variational graph neural network (VGNN) architecture that integrates variational layers into its architecture to model the probability distribution of weights. Unlike computationally expensive full Bayesian networks, our approach strategically introduces variational layers exclusively in the decoder, allowing us to estimate cognitive uncertainty and statistical uncertainty at a relatively lower cost. In this work, we validate the proposed methodology in two cases of solid mechanics: the identification of the value of the elastic modulus with nonlinear distribution in a 2D elastic problem and the location and quantification of the loads applied to a 3D hyperelastic beam, in both cases using only the displacement field of each test as input data. The results show that the model not only recovers the physical parameters with high precision, but also provides confidence intervals consistent with the physics of the problem, as well as being able to locate the position of the applied load and estimate its value, giving a confidence interval for that experiment.
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