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Quantile regression is an effective technique to quantify uncertainty, fit challenging underlying distributions, and often provide full probabilistic predictions through joint learnings over multiple quantile levels. A common drawback of…

Machine Learning · Computer Science 2022-02-24 Youngsuk Park , Danielle Maddix , François-Xavier Aubet , Kelvin Kan , Jan Gasthaus , Yuyang Wang

Positional Encoder Graph Neural Networks (PE-GNNs) are among the most effective models for learning from continuous spatial data. However, their predictive distributions are often poorly calibrated, limiting their utility in applications…

Parameterized quantum circuits (PQCs) are fundamental to quantum machine learning (QML), quantum optimization, and variational quantum algorithms (VQAs). The expressibility of PQCs is a measure that determines their capability to harness…

Deep convolutional neural network (CNN) training via iterative optimization has had incredible success in finding optimal parameters. However, modern CNN architectures often contain millions of parameters. Thus, any given model for a single…

Machine Learning · Computer Science 2023-08-21 Stone Yun , Alexander Wong

Network quantification (NQ) is the problem of estimating the proportions of nodes belonging to each class in subsets of unlabelled graph nodes. When prior probability shift is at play, this task cannot be effectively addressed by first…

Machine Learning · Computer Science 2025-11-14 Alessio Micheli , Alejandro Moreo , Marco Podda , Fabrizio Sebastiani , William Simoni , Domenico Tortorella

Quantum neural networks (QNNs), an interdisciplinary field of quantum computing and machine learning, have attracted tremendous research interests due to the specific quantum advantages. Despite lots of efforts developed in computer vision…

Quantum Physics · Physics 2022-11-15 Kaixiong Zhou , Zhenyu Zhang , Shengyuan Chen , Tianlong Chen , Xiao Huang , Zhangyang Wang , Xia Hu

Uncertainty quantification (UQ) in scientific machine learning is increasingly critical as neural networks are widely adopted to tackle complex problems across diverse scientific disciplines. For physics-informed neural networks (PINNs), a…

Machine Learning · Statistics 2025-10-20 Frank Shih , Zhenghao Jiang , Faming Liang

Quantized Neural Networks (QNNs), which use low bitwidth numbers for representing parameters and performing computations, have been proposed to reduce the computation complexity, storage size and memory usage. In QNNs, parameters and…

Computer Vision and Pattern Recognition · Computer Science 2017-06-23 Shuchang Zhou , Yuzhi Wang , He Wen , Qinyao He , Yuheng Zou

In this work, we study the influence of domain-specific characteristics when defining a meaningful notion of predictive uncertainty on graph data. Previously, the so-called Graph Posterior Network (GPN) model has been proposed to quantify…

Machine Learning · Computer Science 2024-09-09 Clemens Damke , Eyke Hüllermeier

Deep neural networks (DNNs) have achieved tremendous success in computer vision, natural language processing, and scientific and engineering domains. However, DNNs can make unexpected, incorrect, yet overconfident predictions, leading to…

Machine Learning · Computer Science 2025-12-16 Wenchong He , Zhe Jiang , Tingsong Xiao , Zelin Xu , Yukun Li

Epistemic uncertainty quantification (UQ) identifies where models lack knowledge. Traditional UQ methods, often based on Bayesian neural networks, are not suitable for pre-trained non-Bayesian models. Our study addresses quantifying…

Machine Learning · Computer Science 2024-04-17 Hanjing Wang , Qiang Ji

Quantum graph neural networks offer a powerful paradigm for learning on graph-structured data, yet their explainability is complicated by measurement-induced stochasticity and the combinatorial nature of graph structure. In this paper, we…

Machine Learning · Computer Science 2025-10-08 Haribandhu Jena , Jyotirmaya Shivottam , Subhankar Mishra

Uncertainty quantification (UQ) in deep learning regression is of wide interest, as it supports critical applications including sequential decision making and risk-sensitive tasks. In heteroskedastic regression, where the uncertainty of the…

Machine Learning · Computer Science 2026-03-03 Mikkel Jordahn , Jonas Vestergaard Jensen , James Harrison , Michael Riis Andersen , Mikkel N. Schmidt

Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack…

Quantum Physics · Physics 2026-01-13 Arthur M. Faria , Ignacio F. Graña , Savvas Varsamopoulos

Quantum Graph Neural Networks (QGNNs) represent a novel fusion of quantum computing and Graph Neural Networks (GNNs), aimed at overcoming the computational and scalability challenges inherent in classical GNNs that are powerful tools for…

Parameterized Quantum Circuits (PQCs) are essential to quantum machine learning and optimization algorithms. The expressibility of PQCs, which measures their ability to represent a wide range of quantum states, is a critical factor…

Graph Convolutional Network (GCN) has exhibited strong empirical performance in many real-world applications. The vast majority of existing works on GCN primarily focus on the accuracy while ignoring how confident or uncertain a GCN is with…

Machine Learning · Computer Science 2022-10-13 Jian Kang , Qinghai Zhou , Hanghang Tong

Many traffic prediction applications rely on uncertainty estimates instead of the mean prediction. Statistical traffic prediction literature has a complete subfield devoted to uncertainty modelling, but recent deep learning traffic…

Machine Learning · Computer Science 2020-12-10 Tijs Maas , Peter Bloem

Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the…

Machine Learning · Computer Science 2025-06-17 Qingfeng Chen , Shiyuan Li , Yixin Liu , Shirui Pan , Geoffrey I. Webb , Shichao Zhang

Universality of neural networks describes the ability to approximate arbitrary function, and is a key ingredient to keep the method effective. The established models for universal quantum neural networks(QNN), however, require the…

Quantum Physics · Physics 2021-10-22 Xiaokai Hou , Guanyu Zhou , Qingyu Li , Shan Jin , Xiaoting Wang