Uncertainty estimation methods using deep learning approaches strive against separating how uncertain the state of the world manifests to us via measurement (objective end) from the way this gets scrambled with the model specification and training procedure used to predict such state (subjective means) -- e.g., number of neurons, depth, connections, priors (if the model is bayesian), weight initialization, etc. This poses the question of the extent to which one can eliminate the degrees of freedom associated with these specifications and still being able to capture the objective end. Here, a novel non-parametric quantile estimation method for continuous random variables is introduced, based on the simplest neural network architecture with one degree of freedom: a single neuron. Its advantage is first shown in synthetic experiments comparing with the quantile estimation achieved from ranking the order statistics (specifically for small sample size) and with quantile regression. In real-world applications, the method can be used to quantify predictive uncertainty under the split conformal prediction setting, whereby prediction intervals are estimated from the residuals of a pre-trained model on a held-out validation set and then used to quantify the uncertainty in future predictions -- the single neuron used here as a structureless ``thermometer'' that measures how uncertain the pre-trained model is. Benchmarking regression and classification experiments demonstrate that the method is competitive in quality and coverage with state-of-the-art solutions, with the added benefit of being more computationally efficient.
翻译:深度学习方法使用的不确定性估算方法在努力区别我们通过测量看到的世界状态的不确定度(客观结果)与用于预测这种状态的模型规范和训练过程的方式(主观手段)——例如,神经元数目、深度、连接、先验条件(如果模型是贝叶斯的)、权重初始化等。这引出了一个问题,即在多大程度上可以消除与这些规范相关的自由度,同时仍能捕捉客观结果。这里,我们介绍了一种新的连续随机变量非参数分位数估算方法,基于最简单的神经网络结构之一:单个神经元。首先,我们在合成实验中将其优点与从排列顺序统计量(特别是对于小样本量)和量化回归得到的分位数估计进行比较和展示。在实际应用中,该方法可以用于在分裂符合性预测设置下量化预测不确定性,即从预先训练模型在保持验证集上的残差中估算预测区间,然后使用单个神经元作为无结构“温度计”,测量预先训练模型的不确定性。回归和分类实验的基准测试表明,该方法在质量和覆盖范围方面与最先进的解决方案相当,并具有更高的计算效率。