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Understanding and quantifying uncertainty in black box Neural Networks (NNs) is critical when deployed in real-world settings such as healthcare. Recent works using Bayesian and non-Bayesian methods have shown how a unified predictive…

Deep neural networks achieve superior performance in challenging tasks such as image classification. However, deep classifiers tend to incorrectly classify out-of-distribution (OOD) inputs, which are inputs that do not belong to the…

Datasets with significant proportions of noisy (incorrect) class labels present challenges for training accurate Deep Neural Networks (DNNs). We propose a new perspective for understanding DNN generalization for such datasets, by…

The deep neural networks (DNNs) have achieved great success in learning complex patterns with strong predictive power, but they are often thought of as "black box" models without a sufficient level of transparency and interpretability. It…

Deep neural networks (DNNs) are highly susceptible to adversarial examples--subtle, imperceptible perturbations that can lead to incorrect predictions. While detection-based defenses offer a practical alternative to adversarial training,…

Cutting edge deep learning techniques allow for image segmentation with great speed and accuracy. However, application to problems in materials science is often difficult since these complex models may have difficultly learning physical…

Explaining the output of a complicated machine learning model like a deep neural network (DNN) is a central challenge in machine learning. Several proposed local explanation methods address this issue by identifying what dimensions of a…

Clinically deployed deep learning-based segmentation models are known to fail on data outside of their training distributions. While clinicians review the segmentations, these models tend to perform well in most instances, which could…

Owing to their remarkable learning (and relearning) capabilities, deep neural networks (DNNs) find use in numerous real-world applications. However, the learning of these data-driven machine learning models is generally as good as the data…

Deep neural networks (DNNs) have achieved superior performance in various prediction tasks, but can be very vulnerable to adversarial examples or perturbations. Therefore, it is crucial to measure the sensitivity of DNNs to various forms of…

Intensive research has been conducted on the verification and validation of deep neural networks (DNNs), aiming to understand if, and how, DNNs can be applied to safety critical applications. However, existing verification and validation…

The black-box nature of deep neural networks (DNNs) makes it impossible to understand why a particular output is produced, creating demand for "Explainable AI". In this paper, we show that statistical fault localization (SFL) techniques…

Deep neural networks (DNNs), the agents of deep learning (DL), require a massive number of parallel/sequential operations, which makes it difficult to comprehend them and impedes proper diagnosis. Without better knowledge of DNNs' internal…

Neural networks (NNs) can achieved high performance in various fields such as computer vision, and natural language processing. However, deploying NNs in resource-constrained safety-critical systems has challenges due to uncertainty in the…

Inverting visual representations within deep neural networks (DNNs) presents a challenging and important problem in the field of security and privacy for deep learning. The main goal is to invert the features of an unidentified target image…

The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural network approach to represent DFT Hamiltonian (DeepH) of…

Deep neural networks (DNNs) are powerful machine learning models and have succeeded in various artificial intelligence tasks. Although various architectures and modules for the DNNs have been proposed, selecting and designing the…

Deep Neural Networks (DNNs) are universal function approximators providing state-of- the-art solutions on wide range of applications. Common perceptual tasks such as speech recognition, image classification, and object tracking are now…

Density functional theory (DFT) is one of the main methods in Quantum Chemistry that offers an attractive trade off between the cost and accuracy of quantum chemical computations. The electron density plays a key role in DFT. In this work,…

Deep neural networks (DNNs) achieve excellent performance on standard classification tasks. However, under image quality distortions such as blur and noise, classification accuracy becomes poor. In this work, we compare the performance of…