Despite of its importance for safe machine learning, uncertainty quantification for neural networks is far from being solved. State-of-the-art approaches to estimate neural uncertainties are often hybrid, combining parametric models with explicit or implicit (dropout-based) ensembling. We take another pathway and propose a novel approach to uncertainty quantification for regression tasks, Wasserstein dropout, that is purely non-parametric. Technically, it captures aleatoric uncertainty by means of dropout-based sub-network distributions. This is accomplished by a new objective which minimizes the Wasserstein distance between the label distribution and the model distribution. An extensive empirical analysis shows that Wasserstein dropout outperforms state-of-the-art methods, on vanilla test data as well as under distributional shift, in terms of producing more accurate and stable uncertainty estimates.
翻译:尽管对安全的机器学习很重要,但神经网络的不确定性量化远未解决。最先进的估计神经不确定性的方法往往是混合的,将参数模型与明示或隐含的(以辍学为基础的)集合结合起来。我们采取另一种途径,提出一种新的方法,对回归任务的不确定性量化方法,即完全非参数的瓦塞斯坦辍学。从技术上讲,它通过基于辍学的子网络分布,捕捉了偏执的不确定性。这是通过一个新的目标实现的,即尽量减少瓦塞斯坦在标签分布和模型分布之间的距离。一项广泛的实证分析显示,瓦塞斯坦的辍学率在得出更准确和稳定的不确定性估计方面,在香草试验数据方面,以及在分布变化中,都超过了最先进的方法。