Aires F, Prigent C, Rossow W B
Department of Applied Physics and Applied Mathematics, Columbia University, NASA Goddard Institute for Space Studies, New York, NY 10025, USA.
Neural Comput. 2004 Nov;16(11):2415-58. doi: 10.1162/0899766041941925.
Neural network (NN) techniques have proved successful for many regression problems, in particular for remote sensing; however, uncertainty estimates are rarely provided. In this article, a Bayesian technique to evaluate uncertainties of the NN parameters (i.e., synaptic weights) is first presented. In contrast to more traditional approaches based on point estimation of the NN weights, we assess uncertainties on such estimates to monitor the robustness of the NN model. These theoretical developments are illustrated by applying them to the problem of retrieving surface skin temperature, microwave surface emissivities, and integrated water vapor content from a combined analysis of satellite microwave and infrared observations over land. The weight uncertainty estimates are then used to compute analytically the uncertainties in the network outputs (i.e., error bars and correlation structure of these errors). Such quantities are very important for evaluating any application of an NN model. The uncertainties on the NN Jacobians are then considered in the third part of this article. Used for regression fitting, NN models can be used effectively to represent highly nonlinear, multivariate functions. In this situation, most emphasis is put on estimating the output errors, but almost no attention has been given to errors associated with the internal structure of the regression model. The complex structure of dependency inside the NN is the essence of the model, and assessing its quality, coherency, and physical character makes all the difference between a blackbox model with small output errors and a reliable, robust, and physically coherent model. Such dependency structures are described to the first order by the NN Jacobians: they indicate the sensitivity of one output with respect to the inputs of the model for given input data. We use a Monte Carlo integration procedure to estimate the robustness of the NN Jacobians. A regularization strategy based on principal component analysis is proposed to suppress the multicollinearities in order to make these Jacobians robust and physically meaningful.
神经网络(NN)技术已被证明在许多回归问题上是成功的,特别是在遥感领域;然而,很少提供不确定性估计。在本文中,首先提出了一种用于评估神经网络参数(即突触权重)不确定性的贝叶斯技术。与基于神经网络权重点估计的更传统方法不同,我们评估此类估计的不确定性以监测神经网络模型的稳健性。通过将这些理论发展应用于从陆地卫星微波和红外观测的联合分析中反演地表皮肤温度、微波地表发射率和综合水汽含量的问题,对其进行了说明。然后,权重不确定性估计用于解析计算网络输出中的不确定性(即这些误差的误差条和相关结构)。这些量对于评估神经网络模型的任何应用都非常重要。本文的第三部分考虑了神经网络雅可比矩阵的不确定性。用于回归拟合时,神经网络模型可有效地用于表示高度非线性的多元函数。在这种情况下,大多数重点都放在估计输出误差上,但几乎没有关注与回归模型内部结构相关的误差。神经网络内部复杂的依赖结构是模型的核心,评估其质量、一致性和物理特性,是具有小输出误差的黑箱模型与可靠、稳健且物理上一致的模型之间的关键区别。这种依赖结构由神经网络雅可比矩阵一阶描述:它们表示对于给定输入数据,一个输出相对于模型输入的敏感性。我们使用蒙特卡罗积分程序来估计神经网络雅可比矩阵的稳健性。提出了一种基于主成分分析的正则化策略来抑制多重共线性,以使这些雅可比矩阵稳健且具有物理意义。