对比两种深度学习不确定性方法在不同数据维度下的表现
DeepUQ: Assessing the Aleatoric Uncertainties from two Deep Learning Methods
- 比较深度集成与证据回归在0D和2D数据上的不确定性估计
- 预测不确定性随注入噪声增加而增大,但多数情况严重偏差
- 高维输入与高噪声下误差显著,适合关注可靠性评估的研究者
在科学场景中,准确表征和解释物理意义明确的随机不确定性至关重要。本文系统比较了深度集成(DE)和深度证据回归(DER)两种不确定性量化方法对随机不确定性的估计能力,涵盖零维(0D)和二维(2D)数据。研究考虑输入与输出变量的不确定性,并提出一种输入不确定性传播方法,使预测的随机不确定性可与已知真值对比。实验设置三种噪声水平。结果显示,所有模型中预测的随机不确定性均随注入噪声水平上升而增大;然而,在一半的DE实验和几乎所有DER实验中,预测不确定性与真实标准差$\rm{std}(σ_{\rm al})$存在明显失准。尤其在2D输入不确定性及高噪声条件下,两种方法的估计最不准确。尽管结论不适用于更复杂数据,但表明需针对高噪声、高维场景开展后验校准研究。
原文摘要 · Abstract (English)
Assessing the quality of aleatoric uncertainty estimates from uncertainty quantification (UQ) deep learning methods is important in scientific contexts, where uncertainty is physically meaningful and important to characterize and interpret exactly. We systematically compare aleatoric uncertainty measured by two UQ techniques, Deep Ensembles (DE) and Deep Evidential Regression (DER). Our method focuses on both zero-dimensional (0D) and two-dimensional (2D) data, to explore how the UQ methods function for different data dimensionalities. We investigate uncertainty injected on the input and output variables and include a method to propagate uncertainty in the case of input uncertainty so that we can compare the predicted aleatoric uncertainty to the known values. We experiment with three levels of noise. The aleatoric uncertainty predicted across all models and experiments scales with the injected noise level. However, the predicted uncertainty is miscalibrated to $\rm{std}(σ_{\rm al})$ with the true uncertainty for half of the DE experiments and almost all of the DER experiments. The predicted uncertainty is the least accurate for both UQ methods for the 2D input uncertainty experiment and the high-noise level. While these results do not apply to more complex data, they highlight that further research on post-facto calibration for these methods would be beneficial, particularly for high-noise and high-dimensional settings.
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