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Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…

Machine Learning · Computer Science 2022-06-07 Valentin Arkov

Uncertainty estimation for machine learning models is of high importance in many scenarios such as constructing the confidence intervals for model predictions and detection of out-of-distribution or adversarially generated points. In this…

Machine Learning · Computer Science 2022-05-06 Kirill Fedyanin , Evgenii Tsymbalov , Maxim Panov

The opaque nature of transformer-based models, particularly in applications susceptible to unethical practices such as dark-patterns in user interfaces, requires models that integrate uncertainty quantification to enhance trust in…

Machine Learning · Computer Science 2024-12-09 Javier Muñoz , Álvaro Huertas-García , Carlos Martí-González , Enrique De Miguel Ambite

Despite the remarkable progress in generative modelling, current diffusion models lack a quantitative approach to assess image quality. To address this limitation, we propose to estimate the pixel-wise aleatoric uncertainty during the…

Computer Vision and Pattern Recognition · Computer Science 2024-12-03 Michele De Vita , Vasileios Belagiannis

Graph neural networks have demonstrated state-of-the-art performance on knowledge graph tasks such as link prediction. However, interpreting GNN predictions remains a challenging open problem. While many GNN explainability methods have been…

Machine Learning · Computer Science 2025-06-17 Ryoji Kubo , Djellel Difallah

Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to…

Machine Learning · Computer Science 2023-05-24 Yiqiao Li , Jianlong Zhou , Sunny Verma , Fang Chen

Modern deep models for summarization attains impressive benchmark performance, but they are prone to generating miscalibrated predictive uncertainty. This means that they assign high confidence to low-quality predictions, leading to…

Computation and Language · Computer Science 2023-04-19 Polina Zablotskaia , Du Phan , Joshua Maynez , Shashi Narayan , Jie Ren , Jeremiah Liu

Quantifying predictive uncertainty of neural networks has recently attracted increasing attention. In this work, we focus on measuring uncertainty of graph neural networks (GNNs) for the task of node classification. Most existing GNNs model…

Machine Learning · Computer Science 2023-04-04 Zhao Xu , Carolin Lawrence , Ammar Shaker , Raman Siarheyeu

The trustworthiness of neural networks is often challenged because they lack the ability to express uncertainty and explain their skill. This can be problematic given the increasing use of neural networks in high stakes decision-making such…

Atmospheric and Oceanic Physics · Physics 2022-12-07 Mariana C. A. Clare , Maike Sonnewald , Redouane Lguensat , Julie Deshayes , Venkatramani Balaji

Graph Machine Learning (GML) has numerous applications, such as node/graph classification and link prediction, in real-world domains. Providing human-understandable explanations for GML models is a challenging yet fundamental task to foster…

Machine Learning · Computer Science 2023-08-04 Claudio Borile , Alan Perotti , André Panisson

Deep neural networks successfully pervaded many applications domains and are increasingly used in critical decision processes. Understanding their workings is desirable or even required to further foster their potential as well as to access…

Machine Learning · Computer Science 2019-04-10 Maximilian Alber

Deep learning is increasingly used as a building block of security systems. Unfortunately, neural networks are hard to interpret and typically opaque to the practitioner. The machine learning community has started to address this problem by…

Machine Learning · Computer Science 2020-04-28 Alexander Warnecke , Daniel Arp , Christian Wressnegger , Konrad Rieck

Assessing the predictive uncertainty of deep neural networks is crucial for safety-related applications of deep learning. Although Bayesian deep learning offers a principled framework for estimating model uncertainty, the common approaches…

Machine Learning · Computer Science 2024-03-06 Yookoon Park , David M. Blei

We present a new method for uncertainty estimation and out-of-distribution detection in neural networks with softmax output. We extend softmax layer with an additional constant input. The corresponding additional output is able to represent…

Machine Learning · Computer Science 2019-04-09 Marcin Możejko , Mateusz Susik , Rafał Karczewski

With the rapid deployment of graph neural networks (GNNs) based techniques into a wide range of applications such as link prediction, node classification, and graph classification the explainability of GNNs has become an indispensable…

Machine Learning · Computer Science 2023-01-03 Yiqiao Li , Jianlong Zhou , Boyuan Zheng , Fang Chen

Evaluation of per-sample uncertainty quantification from neural networks is essential for decision-making involving high-risk applications. A common approach is to use the predictive distribution from Bayesian or approximation models and…

Machine Learning · Computer Science 2025-09-12 H. Martin Gillis , Isaac Xu , Thomas Trappenberg

We present a model-agnostic algorithm for generating post-hoc explanations and uncertainty intervals for a machine learning model when only a static sample of inputs and outputs from the model is available, rather than direct access to the…

Machine Learning · Computer Science 2023-06-27 Surin Ahn , Justin Grana , Yafet Tamene , Kristian Holsheimer

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

Uncertainty quantification for deep learning is a challenging open problem. Bayesian statistics offer a mathematically grounded framework to reason about uncertainties; however, approximate posteriors for modern neural networks still…

Machine Learning · Statistics 2020-01-23 Nicolas Brosse , Carlos Riquelme , Alice Martin , Sylvain Gelly , Éric Moulines

This paper proposes a fast and scalable method for uncertainty quantification of machine learning models' predictions. First, we show the principled way to measure the uncertainty of predictions for a classifier based on Nadaraya-Watson's…

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