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In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning chemical reactions. Despite the rapid increase in the use of…

Chemical Physics · Physics 2019-05-17 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

The radio astronomy community is rapidly adopting deep learning techniques to deal with the huge data volumes expected from the next generation of radio observatories. Bayesian neural networks (BNNs) provide a principled way to model…

Machine Learning · Computer Science 2024-05-29 Devina Mohan , Anna M. M. Scaife

We develop a novel deep learning method for uncertainty quantification in stochastic partial differential equations based on Bayesian neural network (BNN) and Hamiltonian Monte Carlo (HMC). A BNN efficiently learns the posterior…

Machine Learning · Statistics 2022-10-24 Jeahan Jung , Minseok Choi

Deep neural networks have outperformed existing machine learning models in various molecular applications. In practical applications, it is still difficult to make confident decisions because of the uncertainty in predictions arisen from…

Machine Learning · Computer Science 2019-03-21 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

Deep learning models have demonstrated remarkable success in various fields, including seismology. However, one major challenge in deep learning is the presence of mislabeled examples. Additionally, accurately estimating model uncertainty…

Deep neural networks (DNN) are versatile parametric models utilised successfully in a diverse number of tasks and domains. However, they have limitations---particularly from their lack of robustness and over-sensitivity to out of…

Machine Learning · Statistics 2020-01-01 John Mitros , Brian Mac Namee

Deep neural networks has been increasingly applied in fault diagnostics, where it uses historical data to capture systems behavior, bypassing the need for high-fidelity physical models. However, despite their competence in prediction tasks,…

Machine Learning · Computer Science 2025-09-24 Arman Mohammadi , Mattias Krysander , Daniel Jung , Erik Frisk

In this paper, we examine the strength of deep learning technique for diagnosing lung cancer on medical image analysis problem. Convolutional neural networks (CNNs) models become popular among the pattern recognition and computer vision…

Computer Vision and Pattern Recognition · Computer Science 2018-04-24 Mehdi Fatan Serj , Bahram Lavi , Gabriela Hoff , Domenec Puig Valls

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

Early detection of lung cancer is crucial for effective treatment and relies on accurate volumetric assessment of pulmonary nodules in CT scans. Traditional methods, such as consolidation-to-tumor ratio (CTR) and spherical approximation,…

Image and Video Processing · Electrical Eng. & Systems 2025-08-29 Yihan Zhou , Haocheng Huang , Yue Yu , Jianhui Shang

Model uncertainty quantification involves measuring and evaluating the uncertainty linked to a model's predictions, helping assess their reliability and confidence. Noise injection is a technique used to enhance the robustness of neural…

Machine Learning · Statistics 2025-04-25 Xueqiong Yuan , Jipeng Li , Ercan Engin Kuruoglu

This chapter explores neural networks, topological data analysis, and topological deep learning techniques, alongside statistical Bayesian methods, for processing images, time series, and graphs to maximize the potential of artificial…

Machine Learning · Computer Science 2026-02-12 Sarah Harkins Dayton , Layal Bou Hamdan , Ioannis D. Schizas , David L. Boothe , Vasileios Maroulas

Deep Ensembles, as a type of Bayesian Neural Networks, can be used to estimate uncertainty on the prediction of multiple neural networks by collecting votes from each network and computing the difference in those predictions. In this paper,…

Machine Learning · Computer Science 2023-07-10 Illia Oleksiienko , Alexandros Iosifidis

Bayesian Neural Networks (BNNs) offer a principled and natural framework for proper uncertainty quantification in the context of deep learning. They address the typical challenges associated with conventional deep learning methods, such as…

Computation · Statistics 2024-11-13 Zahra Moslemi , Yang Meng , Shiwei Lan , Babak Shahbaba

A novel method to propagate uncertainty through the soft-thresholding nonlinearity is proposed in this paper. At every layer the current distribution of the target vector is represented as a spike and slab distribution, which represents the…

Machine Learning · Statistics 2018-12-03 Danil Kuzin , Olga Isupova , Lyudmila Mihaylova

Bayesian Neural Networks (BNNs) have become one of the promising approaches for uncertainty estimation due to the solid theorical foundations. However, the performance of BNNs is affected by the ability of catching uncertainty. Instead of…

Machine Learning · Computer Science 2024-04-15 Shiyu Shen , Bin Pan , Tianyang Shi , Tao Li , Zhenwei Shi

Lung cancer remains one of the leading causes of cancer-related mortality worldwide, with early and accurate diagnosis playing a pivotal role in improving patient outcomes. Automated detection of pulmonary nodules in computed tomography…

Computer Vision and Pattern Recognition · Computer Science 2025-04-10 Abhinav Roy , Bhavesh Gyanchandani , Aditya Oza

Deep neural networks are often ignorant about what they do not know and overconfident when they make uninformed predictions. Some recent approaches quantify classification uncertainty directly by training the model to output high…

Machine Learning · Computer Science 2020-06-09 Murat Sensoy , Lance Kaplan , Federico Cerutti , Maryam Saleki

Despite the major progress of deep models as learning machines, uncertainty estimation remains a major challenge. Existing solutions rely on modified loss functions or architectural changes. We propose to compensate for the lack of built-in…

Machine Learning · Computer Science 2023-02-27 Nataša Tagasovska , Firat Ozdemir , Axel Brando

One major impediment to the wider use of deep learning for clinical decision making is the difficulty of assigning a level of confidence to model predictions. Currently, deep Bayesian neural networks and sparse Gaussian processes are the…

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