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Emergence of artificial intelligence techniques in biomedical applications urges the researchers to pay more attention on the uncertainty quantification (UQ) in machine-assisted medical decision making. For classification tasks, prior…

Machine Learning · Computer Science 2019-09-17 Xiaoyang Huang , Jiancheng Yang , Linguo Li , Haoran Deng , Bingbing Ni , Yi Xu

A sparse Dirichlet prior is proposed for estimating the abundance vector of hyperspectral images with a nonlinear mixing model. This sparse prior is led to an unmixing procedure in a semi-supervised scenario in which exact materials are…

Signal Processing · Electrical Eng. & Systems 2018-03-08 Fahime Amiri , Mohammad Hossein Kahaei

We propose a method for learning and sampling from probability distributions supported on the simplex. Our approach maps the open simplex to Euclidean space via smooth bijections, leveraging the Aitchison geometry to define the mappings,…

Machine Learning · Computer Science 2026-02-27 Bernardo Williams , Victor M. Yeom-Song , Marcelo Hartmann , Arto Klami

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

While neural networks have demonstrated impressive performance across various tasks, accurately quantifying uncertainty in their predictions is essential to ensure their trustworthiness and enable widespread adoption in critical systems.…

Machine Learning · Statistics 2025-11-11 Joseph Wilson , Chris van der Heide , Liam Hodgkinson , Fred Roosta

Spectral variability significantly impacts the accuracy and convergence of hyperspectral unmixing algorithms. Many methods address complex spectral variability; yet large-scale distortions to the scale of the observed pixel signatures due…

Image and Video Processing · Electrical Eng. & Systems 2026-05-18 Praveen Sumanasekara , Athulya Ratnayake , Buddhi Wijenayake , Keshawa Ratnayake , Roshan Godaliyadda , Parakrama Ekanayake , Vijitha Herath

We propose a conjugate and calibrated Gaussian process (GP) model for multi-class classification by exploiting the geometry of the probability simplex. Our approach uses Aitchison geometry to map simplex-valued class probabilities to an…

Machine Learning · Computer Science 2026-03-18 Bernardo Williams , Harsha Vardhan Tetali , Arto Klami , Marcelo Hartmann

Inverse problems are ubiquitous in modern scientific studies and involve recovering an underlying signal from noisy observations often transformed by a measurement operator. These problems are frequently ill-posed, particularly in imaging,…

Methodology · Statistics 2026-05-19 Henry J. Aldridge , Tobías I. Liaudat , Marcelo Pereyra , Jason D. McEwen

Multidimensional data is often associated with uncertainties that are not well-described by normal distributions. In this work, we describe how such distributions can be projected to a low-dimensional space using uncertainty-aware principal…

Machine Learning · Statistics 2026-01-15 Daniel Klötzl , Ozan Tastekin , David Hägele , Marina Evers , Daniel Weiskopf

Uncertainty quantification plays an important role in achieving trustworthy and reliable learning-based computational imaging. Recent advances in generative modeling and Bayesian neural networks have enabled the development of…

Image and Video Processing · Electrical Eng. & Systems 2025-10-07 Canberk Ekmekci , Mujdat Cetin

Hyperspectral unmixing, the process of estimating a common set of spectral bases and their corresponding composite percentages at each pixel, is an important task for hyperspectral analysis, visualization and understanding. From an…

Computer Vision and Pattern Recognition · Computer Science 2014-11-18 Feiyun Zhu , Ying Wang , Bin Fan , Gaofeng Meng , Shiming Xiang , Chunhong Pan

Uncertainty quantification (UQ) has increasing importance in building robust high-performance and generalizable materials property prediction models. It can also be used in active learning to train better models by focusing on getting new…

Materials Science · Physics 2022-11-14 Daniel Varivoda , Rongzhi Dong , Sadman Sadeed Omee , Jianjun Hu

Several approaches have been proposed to solve the spectral unmixing problem in hyperspectral image analysis. Among them the use of sparse regression techniques aims to characterize the abundances in pixels based on a large library of…

Image and Video Processing · Electrical Eng. & Systems 2021-02-12 L. C. Ayres , S. J. M. de Almeida , J. C. M. Bermudez , R. A. Borsoi

Uncertainties from model parameters and model discrepancy from small-scale models impact the accuracy and reliability of predictions of large-scale systems. Inadequate representation of these uncertainties may result in inaccurate and…

Methodology · Statistics 2014-12-18 K. Sham Bhat , David S. Mebane , Curtis B. Storlie , Priyadarshi Mahapatra

This paper presents a semi-supervised hyperspectral unmixing solution that integrate the spatial information in the abundance estimation procedure. The proposed method is applied on a nonlinear model based on polynomial postnonlinear mixing…

Signal Processing · Electrical Eng. & Systems 2018-03-05 Fahime Amiri , Mohammad Hossein. Kahaei

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

We provide a complete framework for performing infinite-dimensional Bayesian inference and uncertainty quantification for image reconstruction with Poisson data. In particular, we address the following issues to make the Bayesian framework…

Numerical Analysis · Mathematics 2019-10-22 Qingping Zhou , Tengchao Yu , Xiaoqun Zhang , Jinglai 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

This paper presents a new Bayesian collaborative sparse regression method for linear unmixing of hyperspectral images. Our contribution is twofold; first, we propose a new Bayesian model for structured sparse regression in which the…

Computation · Statistics 2023-07-19 Yoann Altmann , Marcelo Pereyra , Jose Bioucas-Dias

We propose a novel framework for joint magnetic resonance image reconstruction and uncertainty quantification using under-sampled k-space measurements. The problem is formulated as a Bayesian linear inverse problem, where prior…

Image and Video Processing · Electrical Eng. & Systems 2026-03-17 Ahmed Karam Eldaly , Matteo Figini , Daniel C. Alexander