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We evaluate the uncertainty quality in neural networks using anomaly detection. We extract uncertainty measures (e.g. entropy) from the predictions of candidate models, use those measures as features for an anomaly detector, and gauge how…

Machine Learning · Statistics 2016-12-26 Ramon Oliveira , Pedro Tabacof , Eduardo Valle

Graph neural networks for molecular property prediction are frequently underspecified by data and fail to generalise to new scaffolds at test time. A potential solution is Bayesian learning, which can capture our uncertainty in the model…

Biomolecules · Quantitative Biology 2020-12-04 George Lamb , Brooks Paige

Quantifying uncertainty in neural networks is a highly relevant problem which is essential to many applications. The two predominant paradigms to tackle this task are Bayesian neural networks (BNNs) and deep ensembles. Despite some…

Machine Learning · Computer Science 2025-01-31 Gabriel Loaiza-Ganem , Valentin Villecroze , Yixin Wang

Bayesian Neural Networks (BNNs) extend traditional neural networks to provide uncertainties associated with their outputs. On the forward pass through a BNN, predictions (and their uncertainties) are made either by Monte Carlo sampling…

Machine Learning · Computer Science 2024-10-22 David J. Schodt

Deep learning is envisioned to play a key role in the design of future wireless receivers. A popular approach to design learning-aided receivers combines deep neural networks (DNNs) with traditional model-based receiver algorithms,…

Information Theory · Computer Science 2024-10-22 Tomer Raviv , Sangwoo Park , Osvaldo Simeone , Nir Shlezinger

The task of quantifying the inherent uncertainty associated with neural network predictions is a key challenge in artificial intelligence. Bayesian neural networks (BNNs) and deep ensembles are among the most prominent approaches to tackle…

Machine Learning · Computer Science 2025-05-23 Valentin Villecroze , Yixin Wang , Gabriel Loaiza-Ganem

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

Recurrent neural networks (RNNs) are nonlinear dynamical models commonly used in the machine learning and dynamical systems literature to represent complex dynamical or sequential relationships between variables. More recently, as deep…

Methodology · Statistics 2018-02-08 Patrick L. McDermott , Christopher K. Wikle

Probabilistic models often use neural networks to control their predictive uncertainty. However, when making out-of-distribution (OOD)} predictions, the often-uncontrollable extrapolation properties of neural networks yield poor uncertainty…

Machine Learning · Computer Science 2022-01-19 Pierre Segonne , Yevgen Zainchkovskyy , Søren Hauberg

Achieving robust uncertainty quantification for deep neural networks represents an important requirement in many real-world applications of deep learning such as medical imaging where it is necessary to assess the reliability of a neural…

Machine Learning · Computer Science 2024-03-15 Tim Rensmeyer , Oliver Niggemann

The use of ensembles of neural networks (NNs) for the quantification of predictive uncertainty is widespread. However, the current justification is intuitive rather than analytical. This work proposes one minor modification to the normal…

Machine Learning · Statistics 2018-07-03 Tim Pearce , Nicolas Anastassacos , Mohamed Zaki , Andy Neely

This paper addresses the need for deep learning models to integrate well-defined constraints into their outputs, driven by their application in surrogate models, learning with limited data and partial information, and scenarios requiring…

Machine Learning · Statistics 2024-07-02 Rahul Rathnakumar , Jiayu Huang , Hao Yan , Yongming Liu

While offering a principled framework for uncertainty quantification in deep learning, the employment of Bayesian Neural Networks (BNNs) is still constrained by their increased computational requirements and the convergence difficulties…

Machine Learning · Computer Science 2025-05-26 Moule Lin , Shuhao Guan , Weipeng Jing , Goetz Botterweck , Andrea Patane

We present a new algorithm to train a robust neural network against adversarial attacks. Our algorithm is motivated by the following two ideas. First, although recent work has demonstrated that fusing randomness can improve the robustness…

Machine Learning · Computer Science 2019-05-07 Xuanqing Liu , Yao Li , Chongruo Wu , Cho-Jui Hsieh

Bayesian Neural Networks (BNNs) offer probability distributions for model parameters, enabling uncertainty quantification in predictions. However, they often underperform compared to deterministic neural networks. Utilizing mutual learning…

Machine Learning · Computer Science 2024-07-04 Cuong Pham , Cuong C. Nguyen , Trung Le , Dinh Phung , Gustavo Carneiro , Thanh-Toan Do

Bayesian Neural Networks (BNNs) offer robust uncertainty quantification in model predictions, but training them presents a significant computational challenge. This is mainly due to the problem of sampling multimodal posterior distributions…

Machine Learning · Computer Science 2025-01-14 Ratneel Deo , Scott Sisson , Jody M. Webster , Rohitash Chandra

When the historical data are limited, the conditional probabilities associated with the nodes of Bayesian networks are uncertain and can be empirically estimated. Second order estimation methods provide a framework for both estimating the…

Machine Learning · Statistics 2022-08-09 Conrad D. Hougen , Lance M. Kaplan , Federico Cerutti , Alfred O. Hero

Conventional Bayesian Neural Networks (BNNs) are unable to leverage unlabelled data to improve their predictions. To overcome this limitation, we introduce Self-Supervised Bayesian Neural Networks, which use unlabelled data to learn models…

Machine Learning · Computer Science 2024-09-02 Mrinank Sharma , Tom Rainforth , Yee Whye Teh , Vincent Fortuin

Recent advancements in edge computing have significantly enhanced the AI capabilities of Internet of Things (IoT) devices. However, these advancements introduce new challenges in knowledge exchange and resource management, particularly…

Machine Learning · Computer Science 2024-10-14 Gleb Radchenko , Victoria Andrea Fill

Recent advances in deep learning have led to a paradigm shift in the field of reversible steganography. A fundamental pillar of reversible steganography is predictive modelling which can be realised via deep neural networks. However,…

Machine Learning · Computer Science 2023-03-08 Ching-Chun Chang
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