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Uncertainty quantification (UQ) in graph neural networks (GNNs) is crucial in high-stakes domains but remains a significant challenge. In graph settings, message passing often relies on strong assumptions such as exchangeability, which are…

机器学习 · 计算机科学 2026-05-07 Soyoung park , Hwanjun Song , Sungsu Lim

Graph neural networks (GNNs) have demonstrated strong performance on a wide variety of tasks due to their ability to model non-uniform structured data. Despite their promise, there exists little research exploring methods to make them more…

机器学习 · 计算机科学 2021-03-16 Shyam A. Tailor , Javier Fernandez-Marques , Nicholas D. Lane

Counterfactual explanations (CFEs) are a popular approach for interpreting machine learning predictions by identifying minimal feature changes that alter model outputs. However, in real-world settings, users often refine feasibility…

机器学习 · 计算机科学 2025-05-28 Christos Fragkathoulas , Evaggelia Pitoura

Traditional deep learning (DL) models are powerful classifiers, but many approaches do not provide uncertainties for their estimates. Uncertainty quantification (UQ) methods for DL models have received increased attention in the literature…

机器学习 · 计算机科学 2023-08-14 Daniel Ries , Joshua Michalenko , Tyler Ganter , Rashad Imad-Fayez Baiyasi , Jason Adams

Precise probabilistic forecasts are fundamental for energy risk management, and there is a wide range of both statistical and machine learning models for this purpose. Inherent to these probabilistic models is some form of uncertainty…

机器学习 · 计算机科学 2025-10-10 Andreas Lebedev , Abhinav Das , Sven Pappert , Stephan Schlüter

Understanding the flow of information in Deep Neural Networks (DNNs) is a challenging problem that has gain increasing attention over the last few years. While several methods have been proposed to explain network predictions, there have…

机器学习 · 计算机科学 2018-03-08 Marco Ancona , Enea Ceolini , Cengiz Öztireli , Markus Gross

Reliable uncertainty quantification on RUL prediction is crucial for informative decision-making in predictive maintenance. In this context, we assess some of the latest developments in the field of uncertainty quantification for…

机器学习 · 计算机科学 2023-02-10 Luis Basora , Arthur Viens , Manuel Arias Chao , Xavier Olive

In an ever expanding set of research and application areas, deep neural networks (DNNs) set the bar for algorithm performance. However, depending upon additional constraints such as processing power and execution time limits, or…

机器学习 · 计算机科学 2021-06-22 Nathan Dahlin , Krishna Chaitanya Kalagarla , Nikhil Naik , Rahul Jain , Pierluigi Nuzzo

An in-depth understanding of uncertainty is the first step to making effective decisions under uncertainty. Deep/machine learning (ML/DL) has been hugely leveraged to solve complex problems involved with processing high-dimensional data.…

Due to the importance of uncertainty quantification (UQ), Bayesian approach to inverse problems has recently gained popularity in applied mathematics, physics, and engineering. However, traditional Bayesian inference methods based on Markov…

统计计算 · 统计学 2022-04-26 Shiwei Lan , Shuyi Li , Babak Shahbaba

Uncertainty quantification (UQ) plays a pivotal role in reduction of uncertainties during both optimization and decision making processes. It can be applied to solve a variety of real-world applications in science and engineering. Bayesian…

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…

图形学 · 计算机科学 2024-08-13 Atul Kumar , Siddharth Garg , Soumya Dutta

Deep neural networks (DNNs) have become ubiquitous thanks to their remarkable ability to model complex patterns across various domains such as computer vision, speech recognition, robotics, etc. While large DNN models are often more…

机器学习 · 计算机科学 2025-11-18 Omkar Shende , Gayathri Ananthanarayanan , Marcello Traiola

Explainability of deep convolutional neural networks (DCNNs) is an important research topic that tries to uncover the reasons behind a DCNN model's decisions and improve their understanding and reliability in high-risk environments. In this…

计算机视觉与模式识别 · 计算机科学 2025-01-14 Syed Ali Tariq , Tehseen Zia , Mubeen Ghafoor

We study the quantification of uncertainty of Convolutional Neural Networks (CNNs) based on gradient metrics. Unlike the classical softmax entropy, such metrics gather information from all layers of the CNN. We show for the EMNIST digits…

机器学习 · 计算机科学 2018-07-27 Philipp Oberdiek , Matthias Rottmann , Hanno Gottschalk

The goal of this thesis is to improve our understanding of the internal mechanisms by which deep artificial neural networks create meaningful representations and are able to generalize. We focus on the challenge of characterizing the…

机器学习 · 计算机科学 2025-10-29 Diego Doimo

Explainable Artificial Intelligence has gained significant attention due to the widespread use of complex deep learning models in high-stake domains such as medicine, finance, and autonomous cars. However, different explanations often…

人工智能 · 计算机科学 2024-04-17 Weronika Hryniewska-Guzik , Luca Longo , Przemysław Biecek

Massive deployment of Graph Neural Networks (GNNs) in high-stake applications generates a strong demand for explanations that are robust to noise and align well with human intuition. Most existing methods generate explanations by…

机器学习 · 计算机科学 2022-07-14 Mohit Bajaj , Lingyang Chu , Zi Yu Xue , Jian Pei , Lanjun Wang , Peter Cho-Ho Lam , Yong Zhang

Quantifying uncertainty is important for actionable predictions in real-world applications. A crucial part of predictive uncertainty quantification is the estimation of epistemic uncertainty, which is defined as an integral of the product…

机器学习 · 计算机科学 2023-10-25 Kajetan Schweighofer , Lukas Aichberger , Mykyta Ielanskyi , Günter Klambauer , Sepp Hochreiter

Artificial intelligence is increasingly leveraged across various domains to automate decision-making processes that significantly impact human lives. In medical image analysis, deep learning models have demonstrated remarkable performance.…

机器学习 · 计算机科学 2025-07-28 Julia Siekiera , Stefan Kramer