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Deep neural networks (DNNs) have become integral to a wide range of scientific and practical applications due to their flexibility and strong predictive performance. Despite their accuracy, however, DNNs frequently exhibit poor calibration,…

Machine Learning · Computer Science 2026-03-12 Sanne Ruijs , Alina Kosiakova , Farrukh Javed

A probabilistic classifier with reliable predictive uncertainties i) fits successfully to the target domain data, ii) provides calibrated class probabilities in difficult regions of the target domain (e.g.\ class overlap), and iii)…

Machine Learning · Computer Science 2022-03-09 Melih Kandemir , Abdullah Akgül , Manuel Haussmann , Gozde Unal

In this paper, we propose TEDL, a two-stage learning approach to quantify uncertainty for deep learning models in classification tasks, inspired by our findings in experimenting with Evidential Deep Learning (EDL) method, a recently…

Machine Learning · Computer Science 2022-09-14 Xue Li , Wei Shen , Denis Charles

Predicting the evolution of turbulent flows is central across science and engineering. Most studies rely on simulations with turbulence models, whose empirical simplifications introduce epistemic uncertainty. The Eigenspace Perturbation…

Machine Learning · Computer Science 2025-11-11 Minghan Chu , Weicheng Qian

Graph learning has been crucial to many real-world tasks, but they are often studied with a closed-world assumption, with all possible labels of data known a priori. To enable effective graph learning in an open and noisy environment, it is…

Machine Learning · Computer Science 2025-08-04 Weijie Guan , Haohui Wang , Jian Kang , Lihui Liu , Dawei Zhou

Bringing deep neural networks (DNNs) into safety critical applications such as automated driving, medical imaging and finance, requires a thorough treatment of the model's uncertainties. Training deep neural networks is already resource…

Computer Vision and Pattern Recognition · Computer Science 2022-05-31 Julian Burghoff , Robin Chan , Hanno Gottschalk , Annika Muetze , Tobias Riedlinger , Matthias Rottmann , Marius Schubert

While Deep Neural Networks (DNNs) achieve state-of-the-art accuracy in various applications, they often fall short in accurately estimating their predictive uncertainty and, in turn, fail to recognize when these predictions may be wrong.…

Machine Learning · Computer Science 2020-07-22 Ankur Mallick , Chaitanya Dwivedi , Bhavya Kailkhura , Gauri Joshi , T. Yong-Jin Han

The widespread use of Deep Neural Networks (DNNs) has recently resulted in their application to challenging scientific visualization tasks. While advanced DNNs demonstrate impressive generalization abilities, understanding factors like…

Graphics · Computer Science 2024-08-13 Atul Kumar , Siddharth Garg , Soumya Dutta

Recent research on graph neural networks (GNNs) has explored mechanisms for capturing local uncertainty and exploiting graph hierarchies to mitigate data sparsity and leverage structural properties. However, the synergistic integration of…

Machine Learning · Computer Science 2025-05-06 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

The accurate prediction of changes in protein stability under multiple amino acid substitutions is essential for realising true in-silico protein re-design. To this purpose, we propose improvements to state-of-the-art Deep learning (DL)…

Biomolecules · Quantitative Biology 2023-06-01 Sebastien Boyer , Sam Money-Kyrle , Oliver Bent

Efficiently identifying the right trajectories for training remains an open problem in GFlowNets. To address this, it is essential to prioritize exploration in regions of the state space where the reward distribution has not been…

Machine Learning · Computer Science 2025-10-23 Sajan Muhammad , Salem Lahlou

Deep neural networks (DNNs) are becoming more prevalent in important safety-critical applications, where reliability in the prediction is paramount. Despite their exceptional prediction capabilities, current DNNs do not have an implicit…

Machine Learning · Computer Science 2021-05-14 David Betancourt , Rafi Muhanna

Uncertainty estimation is pivotal in machine learning, especially for classification tasks, as it improves the robustness and reliability of models. We introduce a novel `Epistemic Wrapping' methodology aimed at improving uncertainty…

Emerging deep-learning (DL)-based techniques have significant potential to revolutionize biomedical imaging. However, one outstanding challenge is the lack of reliability assessment in the DL predictions, whose errors are commonly revealed…

Image and Video Processing · Electrical Eng. & Systems 2019-05-07 Yujia Xue , Shiyi Cheng , Yunzhe Li , Lei Tian

Extended Kalman Filtering (EKF) can be used to propagate and quantify input uncertainty through a Deep Neural Network (DNN) assuming mild hypotheses on the input distribution. This methodology yields results comparable to existing methods…

Machine Learning · Computer Science 2018-09-18 Jessica S. Titensky , Hayden Jananthan , Jeremy Kepner

Deep learning (DL) models have received particular attention in medical imaging due to their promising pattern recognition capabilities. However, Deep Neural Networks (DNNs) require a huge amount of data, and because of the lack of…

Image and Video Processing · Electrical Eng. & Systems 2021-07-27 Donya Khaledyan , AmirReza Tajally , Ali Sarkhosh , Afshar Shamsi , Hamzeh Asgharnezhad , Abbas Khosravi , Saeid Nahavandi

While graph neural networks (GNNs) are widely used for node and graph representation learning tasks, the reliability of GNN uncertainty estimates under distribution shifts remains relatively under-explored. Indeed, while post-hoc…

Machine Learning · Computer Science 2024-12-16 Puja Trivedi , Mark Heimann , Rushil Anirudh , Danai Koutra , Jayaraman J. Thiagarajan

In this work, we present a novel application of an uncertainty-quantification framework called Deep Evidential Learning in the domain of radiotherapy dose prediction. Using medical images of the Open Knowledge-Based Planning Challenge…

Machine Learning · Computer Science 2024-09-24 Hai Siong Tan , Kuancheng Wang , Rafe Mcbeth

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to…

Machine Learning · Computer Science 2022-06-24 Haorui Wang , Haoteng Yin , Muhan Zhang , Pan Li

Automatic emotion recognition based on multichannel Electroencephalography (EEG) holds great potential in advancing human-computer interaction. However, several significant challenges persist in existing research on algorithmic emotion…

Machine Learning · Computer Science 2023-10-24 Hongxiang Gao , Xiangyao Wang , Zhenghua Chen , Min Wu , Zhipeng Cai , Lulu Zhao , Jianqing Li , Chengyu Liu