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A set of novel approaches for estimating epistemic uncertainty in deep neural networks with a single forward pass has recently emerged as a valid alternative to Bayesian Neural Networks. On the premise of informative representations, these…
Bayesian neural networks (BNNs) have recently regained a significant amount of attention in the deep learning community due to the development of scalable approximate Bayesian inference techniques. There are several advantages of using a…
Uncertainty quantification (UQ) is important for reliability assessment and enhancement of machine learning models. In deep learning, uncertainties arise not only from data, but also from the training procedure that often injects…
We propose a new class of Bayesian neural networks (BNNs) that can be trained using noisy data of variable fidelity, and we apply them to learn function approximations as well as to solve inverse problems based on partial differential…
Bayesian neural networks (BNNs) have been long considered an ideal, yet unscalable solution for improving the robustness and the predictive uncertainty of deep neural networks. While they could capture more accurately the posterior…
Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…
To detect distribution shifts and improve model safety, many out-of-distribution (OOD) detection methods rely on the predictive uncertainty or features of supervised models trained on in-distribution data. In this paper, we critically…
This paper investigates two prominent probabilistic neural modeling paradigms: Bayesian Neural Networks (BNNs) and Mixture Density Networks (MDNs) for uncertainty-aware nonlinear regression. While BNNs incorporate epistemic uncertainty by…
Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…
We conduct a thorough analysis of the relationship between the out-of-sample performance and the Bayesian evidence (marginal likelihood) of Bayesian neural networks (BNNs), as well as looking at the performance of ensembles of BNNs, both…
The inability of artificial neural networks to assess the uncertainty of their predictions is an impediment to their widespread use. We distinguish two types of learnable uncertainty: model uncertainty due to a lack of training data and…
Since deep learning models have been implemented in many commercial applications, it is important to detect out-of-distribution (OOD) inputs correctly to maintain the performance of the models, ensure the quality of the collected data, and…
In the last decade, deep learning (DL) has outperformed model-based and statistical approaches in predicting the remaining useful life (RUL) of machinery in the context of condition-based maintenance. One of the major drawbacks of DL is…
Efficiently quantifying predictive uncertainty in medical images remains a challenge. While Bayesian neural networks (BNN) offer predictive uncertainty, they require substantial computational resources to train. Although Bayesian…
Despite the popularity of Convolutional Neural Networks (CNN), the problem of uncertainty quantification (UQ) of CNN has been largely overlooked. Lack of efficient UQ tools severely limits the application of CNN in certain areas, such as…
When incorporating deep neural networks into robotic systems, a major challenge is the lack of uncertainty measures associated with their output predictions. Methods for uncertainty estimation in the output of deep object detectors (DNNs)…
Deep neural networks often face generalization problems to handle out-of-distribution (OOD) data, and there remains a notable theoretical gap between the contributing factors and their respective impacts. Literature evidence from…
Detecting and rejecting unknown out-of-distribution (OOD) samples is critical for deployed neural networks to void unreliable predictions. In real-world scenarios, however, the efficacy of existing OOD detection methods is often impeded by…
Deep neural networks (DNN) have outstanding performance in various applications. Despite numerous efforts of the research community, out-of-distribution (OOD) samples remain a significant limitation of DNN classifiers. The ability to…
Graph neural networks (GNNs) have achieved impressive performance when testing and training graph data come from identical distribution. However, existing GNNs lack out-of-distribution generalization abilities so that their performance…