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Exploring Uncertainty in Deep Learning for Construction of Prediction Intervals

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 Added by Yuandu Lai
 Publication date 2021
and research's language is English




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Deep learning has achieved impressive performance on many tasks in recent years. However, it has been found that it is still not enough for deep neural networks to provide only point estimates. For high-risk tasks, we need to assess the reliability of the model predictions. This requires us to quantify the uncertainty of model prediction and construct prediction intervals. In this paper, We explore the uncertainty in deep learning to construct the prediction intervals. In general, We comprehensively consider two categories of uncertainties: aleatory uncertainty and epistemic uncertainty. We design a special loss function, which enables us to learn uncertainty without uncertainty label. We only need to supervise the learning of regression task. We learn the aleatory uncertainty implicitly from the loss function. And that epistemic uncertainty is accounted for in ensembled form. Our method correlates the construction of prediction intervals with the uncertainty estimation. Impressive results on some publicly available datasets show that the performance of our method is competitive with other state-of-the-art methods.



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Accurate quantification of model uncertainty has long been recognized as a fundamental requirement for trusted AI. In regression tasks, uncertainty is typically quantified using prediction intervals calibrated to a specific operating point, making evaluation and comparison across different studies difficult. Our work leverages: (1) the concept of operating characteristics curves and (2) the notion of a gain over a simple reference, to derive a novel operating point agnostic assessment methodology for prediction intervals. The paper describes the corresponding algorithm, provides a theoretical analysis, and demonstrates its utility in multiple scenarios. We argue that the proposed method addresses the current need for comprehensive assessment of prediction intervals and thus represents a valuable addition to the uncertainty quantification toolbox.
Reinforcement learning agents are faced with two types of uncertainty. Epistemic uncertainty stems from limited data and is useful for exploration, whereas aleatoric uncertainty arises from stochastic environments and must be accounted for in risk-sensitive applications. We highlight the challenges involved in simultaneously estimating both of them, and propose a framework for disentangling and estimating these uncertainties on learned Q-values. We derive unbiased estimators of these uncertainties and introduce an uncertainty-aware DQN algorithm, which we show exhibits safe learning behavior and outperforms other DQN variants on the MinAtar testbed.
Understanding model performance on unlabeled data is a fundamental challenge of developing, deploying, and maintaining AI systems. Model performance is typically evaluated using test sets or periodic manual quality assessments, both of which require laborious manual data labeling. Automated performance prediction techniques aim to mitigate this burden, but potential inaccuracy and a lack of trust in their predictions has prevented their widespread adoption. We address this core problem of performance prediction uncertainty with a method to compute prediction intervals for model performance. Our methodology uses transfer learning to train an uncertainty model to estimate the uncertainty of model performance predictions. We evaluate our approach across a wide range of drift conditions and show substantial improvement over competitive baselines. We believe this result makes prediction intervals, and performance prediction in general, significantly more practical for real-world use.
Crucial for building trust in deep learning models for critical real-world applications is efficient and theoretically sound uncertainty quantification, a task that continues to be challenging. Useful uncertainty information is expected to have two key properties: It should be valid (guaranteeing coverage) and discriminative (more uncertain when the expected risk is high). Moreover, when combined with deep learning (DL) methods, it should be scalable and affect the DL model performance minimally. Most existing Bayesian methods lack frequentist coverage guarantees and usually affect model performance. The few available frequentist methods are rarely discriminative and/or violate coverage guarantees due to unrealistic assumptions. Moreover, many methods are expensive or require substantial modifications to the base neural network. Building upon recent advances in conformal prediction [13, 31] and leveraging the classical idea of kernel regression, we propose Locally Valid and Discriminative predictive intervals (LVD), a simple, efficient, and lightweight method to construct discriminative predictive intervals (PIs) for almost any DL model. With no assumptions on the data distribution, such PIs also offer finite-sample local coverage guarantees (contrasted to the simpler marginal coverage). We empirically verify, using diverse datasets, that besides being the only locally valid method, LVD also exceeds or matches the performance (including coverage rate and prediction accuracy) of existing uncertainty quantification methods, while offering additional benefits in scalability and flexibility.
Deep Learning (DL) methods have been transforming computer vision with innovative adaptations to other domains including climate change. For DL to pervade Science and Engineering (S&E) applications where risk management is a core component, well-characterized uncertainty estimates must accompany predictions. However, S&E observations and model-simulations often follow heavily skewed distributions and are not well modeled with DL approaches, since they usually optimize a Gaussian, or Euclidean, likelihood loss. Recent developments in Bayesian Deep Learning (BDL), which attempts to capture uncertainties from noisy observations, aleatoric, and from unknown model parameters, epistemic, provide us a foundation. Here we present a discrete-continuous BDL model with Gaussian and lognormal likelihoods for uncertainty quantification (UQ). We demonstrate the approach by developing UQ estimates on `DeepSD, a super-resolution based DL model for Statistical Downscaling (SD) in climate applied to precipitation, which follows an extremely skewed distribution. We find that the discrete-continuous models outperform a basic Gaussian distribution in terms of predictive accuracy and uncertainty calibration. Furthermore, we find that the lognormal distribution, which can handle skewed distributions, produces quality uncertainty estimates at the extremes. Such results may be important across S&E, as well as other domains such as finance and economics, where extremes are often of significant interest. Furthermore, to our knowledge, this is the first UQ model in SD where both aleatoric and epistemic uncertainties are characterized.

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