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Constructing valid prediction intervals rather than point estimates is a well-established approach for uncertainty quantification in the regression setting. Models equipped with this capacity output an interval of values in which the ground…

Machine Learning · Statistics 2025-02-07 Thomas Pouplin , Alan Jeffares , Nabeel Seedat , Mihaela van der Schaar

Graph neural networks (GNNs) are a powerful framework for learning representations from graph-structured data, but their direct implementation on near-term quantum hardware remains challenging due to circuit depth, multi-qubit interactions,…

Quantum Physics · Physics 2026-02-19 Armin Ahmadkhaniha , Jake Doliskani

Deep Neural Networks (DNNs) have demonstrated remarkable performance across various domains, including computer vision and natural language processing. However, they often struggle to accurately quantify the uncertainty of their…

Machine Learning · Computer Science 2025-11-14 Adrien Lafage , Olivier Laurent , Firas Gabetni , Gianni Franchi

The neural network (NN)-based direct uncertainty quantification (UQ) methods have achieved the state of the art performance since the first inauguration, known as the lower-upper-bound estimation (LUBE) method. However, currently-available…

Machine Learning · Statistics 2024-07-16 H M Dipu Kabir , Abbas Khosravi , Abdollah Kavousi-Fard , Saeid Nahavandi , Dipti Srinivasan

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

A quantum neural network (QNN) is a parameterized mapping efficiently implementable on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. It can be used for supervised learning when combined with classical gradient-based…

Quantum Physics · Physics 2023-03-28 Xuchen You , Shouvanik Chakrabarti , Boyang Chen , Xiaodi Wu

On top of machine learning models, uncertainty quantification (UQ) functions as an essential layer of safety assurance that could lead to more principled decision making by enabling sound risk assessment and management. The safety and…

Machine Learning · Computer Science 2024-03-28 Venkat Nemani , Luca Biggio , Xun Huan , Zhen Hu , Olga Fink , Anh Tran , Yan Wang , Xiaoge Zhang , Chao Hu

OOD detection has become more pertinent with advances in network design and increased task complexity. Identifying which parts of the data a given network is misclassifying has become as valuable as the network's overall performance. We can…

Computer Vision and Pattern Recognition · Computer Science 2024-03-05 Rishi Singhal , Srinath Srinivasan

With the rapid growth of interconnected devices, accurately detecting malicious activities in network traffic has become increasingly challenging. Most existing deep learning-based intrusion detection systems treat network flows as…

Cryptography and Security · Computer Science 2026-03-25 Devashish Chaudhary , Sutharshan Rajasegarar , Shiva Raj Pokhrel

Deep learning is gaining increasing popularity for spatiotemporal forecasting. However, prior works have mostly focused on point estimates without quantifying the uncertainty of the predictions. In high stakes domains, being able to…

Artificial Intelligence · Computer Science 2021-06-15 Dongxia Wu , Liyao Gao , Xinyue Xiong , Matteo Chinazzi , Alessandro Vespignani , Yi-An Ma , Rose Yu

Graph Neural Networks (GNNs) excel in diverse tasks, yet their applications in high-stakes domains are often hampered by unreliable predictions. Although numerous uncertainty quantification methods have been proposed to address this…

Machine Learning · Computer Science 2024-07-22 Tianyi Zhao , Jian Kang , Lu Cheng

In scientific applications, predictive modeling is often of limited use without accurate uncertainty quantification (UQ) to indicate when a model may be extrapolating or when more data needs to be collected. Bayesian Neural Networks (BNNs)…

Machine Learning · Computer Science 2025-09-26 Scott Koermer , Natalie Klein

Uncertainty quantification (UQ) is a crucial but challenging task in many high-dimensional regression or learning problems to increase the confidence of a given predictor. We develop a new data-driven approach for UQ in regression that…

Machine Learning · Computer Science 2024-07-19 Frederik Hoppe , Claudio Mayrink Verdun , Hannah Laus , Felix Krahmer , Holger Rauhut

This paper explores uncertainty quantification (UQ) methods in the context of Kolmogorov-Arnold Networks (KANs). We apply an ensemble approach to KANs to obtain a heuristic measure of UQ, enhancing interpretability and robustness in…

Machine Learning · Computer Science 2025-04-22 Amirhossein Mollaali , Christian Bolivar Moya , Amanda A. Howard , Alexander Heinlein , Panos Stinis , Guang Lin

This research investigates the performance and efficacy of machine learning models in stock prediction, comparing Artificial Neural Networks (ANNs), Quantum Qubit-based Neural Networks (QQBNs), and Quantum Qutrit-based Neural Networks…

Artificial Intelligence · Computer Science 2026-04-22 Kanishk Bakshi , Kathiravan Srinivasan

Increasing wireless network complexity demands scalable resource management. Classical GNNs excel at graph learning but incur high computational costs in large-scale settings. We present a fully quantum Graph Neural Network (QGNN) that…

Machine Learning · Computer Science 2025-11-25 Tung Giang Le , Xuan Tung Nguyen , Won-Joo Hwang

Uncertainty quantification (UQ) in scientific machine learning (SciML) becomes increasingly critical as neural networks (NNs) are being widely adopted in addressing complex problems across various scientific disciplines. Representative…

Machine Learning · Computer Science 2023-11-21 Zongren Zou , Xuhui Meng , George Em Karniadakis

Uncertainty quantification (UQ) of subsurface two-phase flow usually requires numerous executions of forward simulations under varying conditions. In this work, a novel coupled theory-guided neural network (TgNN) based surrogate model is…

Fluid Dynamics · Physics 2023-09-08 Jian Li , Dongxiao Zhang , Tianhao He , Qiang Zheng

Uncertainty quantification is an important part of many performance critical applications. This paper provides a simple alternative to existing approaches such as ensemble learning and bayesian neural networks. By directly modeling the loss…

Machine Learning · Computer Science 2024-08-28 Yi Hung Lim

Bayesian learning of model parameters in neural networks is important in scenarios where estimates with well-calibrated uncertainty are important. In this paper, we propose Bayesian quantized networks (BQNs), quantized neural networks…

Machine Learning · Computer Science 2019-12-09 Jiahao Su , Milan Cvitkovic , Furong Huang