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Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and materials properties. A common short-coming shared by current approaches, however, is that neural networks only give point…

Computational Physics · Physics 2023-05-10 Albert Zhu , Simon Batzner , Albert Musaelian , Boris Kozinsky

Deep Learning (DL) has made remarkable achievements in computer vision and adopted in safety critical domains such as medical imaging or autonomous drive. Thus, it is necessary to understand the uncertainty of the model to effectively…

Computer Vision and Pattern Recognition · Computer Science 2024-05-28 Hyekyoung Hwang , Jitae Shin

As a main field of artificial intelligence, natural language processing (NLP) has achieved remarkable success via deep neural networks. Plenty of NLP tasks have been addressed in a unified manner, with various tasks being associated with…

Computation and Language · Computer Science 2023-06-08 Mengting Hu , Zhen Zhang , Shiwan Zhao , Minlie Huang , Bingzhe Wu

Measurement of uncertainty of predictions from machine learning methods is important across scientific domains and applications. We present, to our knowledge, the first such technique that quantifies the uncertainty of predictions from a…

Machine Learning · Statistics 2022-04-04 Alex Hagen , Karl Pazdernik , Nicole LaHaye , Marjolein Oostrom

We present a novel statistical approach to incorporating uncertainty awareness in model-free distributional reinforcement learning involving quantile regression-based deep Q networks. The proposed algorithm, $\textit{Calibrated Evidential…

Machine Learning · Computer Science 2024-06-05 Alex Christopher Stutts , Danilo Erricolo , Theja Tulabandhula , Amit Ranjan Trivedi

The last decade in deep learning has brought on increasingly capable systems that are deployed on a wide variety of applications. In natural language processing, the field has been transformed by a number of breakthroughs including large…

Artificial Intelligence · Computer Science 2024-10-23 Dennis Ulmer

We propose several deep-learning accelerated optimization solvers with convergence guarantees. We use ideas from the analysis of accelerated forward-backward schemes like FISTA, but instead of the classical approach of proving convergence…

Optimization and Control · Mathematics 2021-05-12 Sebastian Banert , Jevgenija Rudzusika , Ozan Öktem , Jonas Adler

Deploying deep neural networks on resource-constrained devices faces two critical challenges: maintaining accuracy under aggressive quantization while ensuring predictable inference latency. We present a curiosity-driven quantized…

We propose VarFA, a variational inference factor analysis framework that extends existing factor analysis models for educational data mining to efficiently output uncertainty estimation in the model's estimated factors. Such uncertainty…

Machine Learning · Statistics 2020-08-18 Zichao Wang , Yi Gu , Andrew Lan , Richard Baraniuk

Neural Networks have high accuracy in solving problems where it is difficult to detect patterns or create a logical model. However, these algorithms sometimes return wrong solutions, which become problematic in high-risk domains like…

Machine Learning · Computer Science 2025-06-26 Miguel N. Font , José L. Jorro-Aragoneses , Carlos M. Alaíz

Deep neural networks (DNNs) are state-of-the-art algorithms for multiple applications, spanning from image classification to speech recognition. While providing excellent accuracy, they often have enormous compute and memory requirements.…

Machine Learning · Computer Science 2020-11-12 Ussama Zahid , Giulio Gambardella , Nicholas J. Fraser , Michaela Blott , Kees Vissers

There are two major types of uncertainty one can model. Aleatoric uncertainty captures noise inherent in the observations. On the other hand, epistemic uncertainty accounts for uncertainty in the model -- uncertainty which can be explained…

Computer Vision and Pattern Recognition · Computer Science 2017-10-06 Alex Kendall , Yarin Gal

Deep unrolling is an emerging deep learning-based image reconstruction methodology that bridges the gap between model-based and purely deep learning-based image reconstruction methods. Although deep unrolling methods achieve…

Image and Video Processing · Electrical Eng. & Systems 2022-12-21 Canberk Ekmekci , Mujdat Cetin

Calibration is crucial in deep learning applications, especially in fields like healthcare and autonomous driving, where accurate confidence estimates are vital for decision-making. However, deep neural networks often suffer from…

Machine Learning · Computer Science 2024-10-17 Linwei Tao , Haolan Guo , Minjing Dong , Chang Xu

Modern deep learning tools are remarkably effective in addressing intricate problems. However, their operation as black-box models introduces increased uncertainty in predictions. Additionally, they contend with various challenges,…

Machine Learning · Computer Science 2024-04-09 Sourav Ganguly , Saprativa Bhattacharjee

Explainable AI has become a common term in the literature, scrutinized by computer scientists and statisticians and highlighted by psychological or philosophical researchers. One major effort many researchers tackle is constructing general…

Artificial Intelligence · Computer Science 2025-09-12 Carina Newen , Daniel Bodemer , Sonja Glantz , Emmanuel Müller , Magdalena Wischnewski , Lenka Schnaubert

Recurrent neural networks (RNNs) are nonlinear dynamical models commonly used in the machine learning and dynamical systems literature to represent complex dynamical or sequential relationships between variables. More recently, as deep…

Methodology · Statistics 2018-02-08 Patrick L. McDermott , Christopher K. Wikle

Recent works have shown that applying Machine Learning to Electronic Health Records (EHR) can strongly accelerate precision medicine. This requires developing models based on diverse EHR sources. Federated Learning (FL) has enabled…

Machine Learning · Computer Science 2019-10-29 Sabri Boughorbel , Fethi Jarray , Neethu Venugopal , Shabir Moosa , Haithum Elhadi , Michel Makhlouf

Modern convolutional neural networks (CNNs) are known to be overconfident in terms of their calibration on unseen input data. That is to say, they are more confident than they are accurate. This is undesirable if the probabilities predicted…

Machine Learning · Computer Science 2021-12-03 Guoxuan Xia , Sangwon Ha , Tiago Azevedo , Partha Maji

Precise probabilistic forecasts are fundamental for energy risk management, and there is a wide range of both statistical and machine learning models for this purpose. Inherent to these probabilistic models is some form of uncertainty…

Machine Learning · Computer Science 2025-10-10 Andreas Lebedev , Abhinav Das , Sven Pappert , Stephan Schlüter