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Graph neural networks (GNNs) have excelled in various graph learning tasks, particularly node classification. However, their performance is often hampered by noisy measurements in real-world graphs, which can corrupt critical patterns in…

Machine Learning · Computer Science 2025-03-14 Shuyi Chen , Kaize Ding , Shixiang Zhu

Identifying vulnerable code is a precautionary measure to counter software security breaches. Tedious expert effort has been spent to build static analyzers, yet insecure patterns are barely fully enumerated. This work explores a deep…

Artificial Intelligence · Computer Science 2021-09-09 Yufan Zhuang , Sahil Suneja , Veronika Thost , Giacomo Domeniconi , Alessandro Morari , Jim Laredo

Despite its long history, Bayesian neural networks (BNNs) and variational training remain underused in practice: standard Gaussian posteriors misalign with network geometry, KL terms can be brittle in high dimensions, and implementations…

Machine Learning · Computer Science 2025-09-09 Carlos Stein Brito

Neural networks predictions are unreliable when the input sample is out of the training distribution or corrupted by noise. Being able to detect such failures automatically is fundamental to integrate deep learning algorithms into robotics.…

Computer Vision and Pattern Recognition · Computer Science 2020-02-18 Antonio Loquercio , Mattia Segù , Davide Scaramuzza

Node representation learning by using Graph Neural Networks (GNNs) has been widely explored. However, in recent years, compelling evidence has revealed that GNN-based node representation learning can be substantially deteriorated by…

Machine Learning · Computer Science 2023-12-19 Jun Zhuang , Mohammad Al Hasan

Uncertainty quantification for full-waveform inversion provides a probabilistic characterization of the ill-conditioning of the problem, comprising the sensitivity of the solution with respect to the starting model and data noise. This…

Geophysics · Physics 2020-04-20 Gabrio Rizzuti , Ali Siahkoohi , Philipp A. Witte , Felix J. Herrmann

Graph neural networks (GNNs), especially dynamic GNNs, have become a research hotspot in spatio-temporal forecasting problems. While many dynamic graph construction methods have been developed, relatively few of them explore the causal…

Machine Learning · Computer Science 2023-05-18 Guojun Liang , Prayag Tiwari , Sławomir Nowaczyk , Stefan Byttner , Fernando Alonso-Fernandez

Bayesian neural networks (BNN) can estimate the uncertainty in predictions, as opposed to non-Bayesian neural networks (NNs). However, BNNs have been far less widely used than non-Bayesian NNs in practice since they need iterative NN…

Machine Learning · Computer Science 2022-02-15 Namuk Park , Taekyu Lee , Songkuk Kim

We consider the problem of uncertainty estimation in the context of (non-Bayesian) deep neural classification. In this context, all known methods are based on extracting uncertainty signals from a trained network optimized to solve the…

Machine Learning · Computer Science 2019-04-25 Yonatan Geifman , Guy Uziel , Ran El-Yaniv

Deep neural networks (DNNs) have become integral to a wide range of scientific and practical applications due to their flexibility and strong predictive performance. Despite their accuracy, however, DNNs frequently exhibit poor calibration,…

Machine Learning · Computer Science 2026-03-12 Sanne Ruijs , Alina Kosiakova , Farrukh Javed

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for…

Machine Learning · Computer Science 2024-08-09 Erfaneh Mahmoudzadeh , Parmis Naddaf , Kiarash Zahirnia , Oliver Schulte

Dynamic graphs provide a flexible data abstraction for modelling many sorts of real-world systems, such as transport, trade, and social networks. Graph neural networks (GNNs) are powerful tools allowing for different kinds of prediction and…

Machine Learning · Statistics 2025-03-27 Ed Davis , Ian Gallagher , Daniel John Lawson , Patrick Rubin-Delanchy

In this work, a novel approach for the construction and training of time series models is presented that deals with the problem of learning on large time series with non-equispaced observations, which at the same time may possess features…

Machine Learning · Computer Science 2020-11-25 Charilaos Mylonas , Eleni Chatzi

We present a critical survey on the consistency of uncertainty quantification used in deep learning and highlight partial uncertainty coverage and many inconsistencies. We then provide a comprehensive and statistically consistent framework…

Machine Learning · Computer Science 2026-01-14 Peter Jan van Leeuwen , J. Christine Chiu , C. Kevin Yang

Deep neural networks (DNNs) are often coupled with physics-based models or data-driven surrogate models to perform fault detection and health monitoring of systems in the low data regime. These models serve as digital twins to generate…

Machine Learning · Computer Science 2023-03-21 Laya Das , Blazhe Gjorgiev , Giovanni Sansavini

Machine learning methods for computational imaging require uncertainty estimation to be reliable in real settings. While Bayesian models offer a computationally tractable way of recovering uncertainty, they need large data volumes to be…

Machine Learning · Computer Science 2020-08-24 Francesco Tonolini , Jack Radford , Alex Turpin , Daniele Faccio , Roderick Murray-Smith

Neural networks make accurate predictions but often fail to provide reliable uncertainty estimates, especially under covariate distribution shifts between training and testing. To address this problem, we propose a Bayesian framework for…

Machine Learning · Statistics 2025-12-22 Yuli Slavutsky , David M. Blei

Deep neural networks can be roughly divided into deterministic neural networks and stochastic neural networks.The former is usually trained to achieve a mapping from input space to output space via maximum likelihood estimation for the…

Uncertainty quantification of deep neural networks has become an active field of research and plays a crucial role in various downstream tasks such as active learning. Recent advances in evidential deep learning shed light on the direct…

Machine Learning · Computer Science 2023-11-21 Ruxiao Duan , Brian Caffo , Harrison X. Bai , Haris I. Sair , Craig Jones
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