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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 ideas of aleatoric and epistemic uncertainty are widely used to reason about the probabilistic predictions of machine-learning models. We identify incoherence in existing discussions of these ideas and suggest this stems from the…

Machine Learning · Computer Science 2025-08-19 Freddie Bickford Smith , Jannik Kossen , Eleanor Trollope , Mark van der Wilk , Adam Foster , Tom Rainforth

Traditional deep neural nets (NNs) have shown the state-of-the-art performance in the task of classification in various applications. However, NNs have not considered any types of uncertainty associated with the class probabilities to…

Machine Learning · Computer Science 2019-10-16 Xujiang Zhao , Yuzhe Ou , Lance Kaplan , Feng Chen , Jin-Hee Cho

Often, deep network models are purely inductive during training and while performing inference on unseen data. Thus, when such models are used for predictions, it is well known that they often fail to capture the semantic information and…

Computer Vision and Pattern Recognition · Computer Science 2023-10-09 Zhu Wang , Sourav Medya , Sathya N. Ravi

Detecting and rejecting unknown out-of-distribution (OOD) samples is critical for deployed neural networks to void unreliable predictions. In real-world scenarios, however, the efficacy of existing OOD detection methods is often impeded by…

Computer Vision and Pattern Recognition · Computer Science 2024-11-01 Kai Liu , Zhihang Fu , Sheng Jin , Chao Chen , Ze Chen , Rongxin Jiang , Fan Zhou , Yaowu Chen , Jieping Ye

Density-based Out-of-distribution (OOD) detection has recently been shown unreliable for the task of detecting OOD images. Various density ratio based approaches achieve good empirical performance, however methods typically lack a…

Machine Learning · Statistics 2022-06-09 Mingtian Zhang , Andi Zhang , Tim Z. Xiao , Yitong Sun , Steven McDonagh

While deep neural networks have become the go-to approach in computer vision, the vast majority of these models fail to properly capture the uncertainty inherent in their predictions. Estimating this predictive uncertainty can be crucial,…

Machine Learning · Computer Science 2020-04-08 Fredrik K. Gustafsson , Martin Danelljan , Thomas B. Schön

In this paper, we leverage predictive uncertainty of deep neural networks to answer challenging questions material scientists usually encounter in machine learning based materials applications workflows. First, we show that by leveraging…

Materials Science · Physics 2021-04-26 Jize Zhang , Bhavya Kailkhura , T. Yong-Jin Han

Out-of-distribution (OOD) detection is essential to prevent anomalous inputs from causing a model to fail during deployment. While improved OOD detection methods have emerged, they often rely on the final layer outputs and require a full…

Computer Vision and Pattern Recognition · Computer Science 2021-05-03 Ziqian Lin , Sreya Dutta Roy , Yixuan Li

Graph Neural Networks (GNN) provide a powerful framework that elegantly integrates Graph theory with Machine learning for modeling and analysis of networked data. We consider the problem of quantifying the uncertainty in predictions of GNN…

Machine Learning · Computer Science 2022-05-23 Sai Munikoti , Deepesh Agarwal , Laya Das , Balasubramaniam Natarajan

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

We study the problem of learning causal representations from unknown, latent interventions in a general setting, where the latent distribution is Gaussian but the mixing function is completely general. We prove strong identifiability…

Machine Learning · Computer Science 2023-12-19 Simon Buchholz , Goutham Rajendran , Elan Rosenfeld , Bryon Aragam , Bernhard Schölkopf , Pradeep Ravikumar

Recent work has shown that the hidden states of large language models contain signals useful for uncertainty estimation and hallucination detection, motivating a growing interest in efficient probe-based approaches. Yet it remains unclear…

Computation and Language · Computer Science 2026-04-14 Joe Stacey , Hadas Orgad , Kentaro Inui , Benjamin Heinzerling , Nafise Sadat Moosavi

Various approaches have been proposed for out-of-distribution (OOD) detection by augmenting models, input examples, training sets, and optimization objectives. Deviating from existing work, we have a simple hypothesis that standard…

Machine Learning · Computer Science 2022-03-29 Xin Dong , Junfeng Guo , Ang Li , Wei-Te Ting , Cong Liu , H. T. Kung

With the widespread success of deep neural networks in science and technology, it is becoming increasingly important to quantify the uncertainty of the predictions produced by deep learning. In this paper, we introduce a new method that…

Machine Learning · Computer Science 2019-08-15 Qingyang Wu , He Li , Lexin Li , Zhou Yu

Recent works show that the data distribution in a network's latent space is useful for estimating classification uncertainty and detecting Out-of-distribution (OOD) samples. To obtain a well-regularized latent space that is conducive for…

Computer Vision and Pattern Recognition · Computer Science 2023-10-02 Aishwarya Venkataramanan , Assia Benbihi , Martin Laviale , Cedric Pradalier

When deploying a trained machine learning model in the real world, it is inevitable to receive inputs from out-of-distribution (OOD) sources. For instance, in continual learning settings, it is common to encounter OOD samples due to the…

Machine Learning · Computer Science 2024-01-23 Chuanwen Feng , Wenlong Chen , Ao Ke , Yilong Ren , Xike Xie , S. Kevin Zhou

Understanding how large language models (LLMs) internally represent and process their predictions is central to detecting uncertainty and preventing hallucinations. While several studies have shown that models encode uncertainty in their…

Computation and Language · Computer Science 2025-07-10 Sunwoo Kim , Haneul Yoo , Alice Oh

Methods for out-of-distribution (OOD) detection that scale to 3D data are crucial components of any real-world clinical deep learning system. Classic denoising diffusion probabilistic models (DDPMs) have been recently proposed as a robust…

Techniques for understanding the functioning of complex machine learning models are becoming increasingly popular, not only to improve the validation process, but also to extract new insights about the data via exploratory analysis. Though…

Machine Learning · Statistics 2018-11-02 Jayaraman J. Thiagarajan , Irene Kim , Rushil Anirudh , Peer-Timo Bremer
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