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This work demonstrates the ability to produce readily interpretable statistical metrics for model fit, fixed effects covariance coefficients, and prediction confidence. Importantly, this work compares 4 suitable and commonly applied…

Machine Learning · Statistics 2022-11-30 Alex Treacher , Kevin Nguyen , Dylan Owens , Daniel Heitjan , Albert Montillo

Visualizing the uncertainty of ensemble simulations is challenging due to the large size and multivariate and temporal features of ensemble data sets. One popular approach to studying the uncertainty of ensembles is analyzing the positional…

Machine Learning · Computer Science 2022-10-25 Mengjiao Han , Tushar M. Athawale , David Pugmire , Chris R. Johnson

Deploying deep learning (DL) models in medical applications relies on predictive performance and other critical factors, such as conveying trustworthy predictive uncertainty. Uncertainty estimation (UE) methods provide potential solutions…

Image and Video Processing · Electrical Eng. & Systems 2024-03-26 Kudaibergen Abutalip , Numan Saeed , Ikboljon Sobirov , Vincent Andrearczyk , Adrien Depeursinge , Mohammad Yaqub

Neural Linear Models (NLM) are deep Bayesian models that produce predictive uncertainties by learning features from the data and then performing Bayesian linear regression over these features. Despite their popularity, few works have…

Machine Learning · Statistics 2021-12-17 Sujay Thakur , Cooper Lorsung , Yaniv Yacoby , Finale Doshi-Velez , Weiwei Pan

Uncertainty-quantification methods are applied to estimate the confidence of deep-neural-networks classifiers over their predictions. However, most widely used methods are known to be overconfident. We address this problem by developing an…

Machine Learning · Computer Science 2023-05-19 Luigi Sbailò , Luca M. Ghiringhelli

In this study, a method for predicting unsteady aerodynamic forces under different initial conditions using a limited number of samples based on transfer learning is proposed, aiming to avoid the need for large-scale high-fidelity…

Fluid Dynamics · Physics 2024-05-27 Wen Ji , Xueyuan Sun , Chunna Li , Xuyi Jia , Gang Wang , Chunlin Gong

Bayesian uncertainty quantification (UQ) is of interest to industry and academia as it provides a framework for quantifying and reducing the uncertainty in computational models by incorporating available data. For systems with very high…

Computational Physics · Physics 2020-04-14 Xinlei Zhang , Heng Xiao , Thomas Gomez , Olivier Coutier-Delgosha

Self-adaptive robots adjust their behaviors in response to unpredictable environmental changes. These robots often incorporate deep learning (DL) components into their software to support functionality such as perception, decision-making,…

Neural network potentials (NNPs) combine the computational efficiency of classical interatomic potentials with the high accuracy and flexibility of the ab initio methods used to create the training set, but can also result in unphysical…

Materials Science · Physics 2022-01-24 Leonid Kahle , Federico Zipoli

The use of high-dimensional regression techniques from machine learning has significantly improved the quantitative accuracy of interatomic potentials. Atomic simulations can now plausibly target quantitative predictions in a variety of…

Materials Science · Physics 2025-03-04 Danny Perez , Aparna P. A. Subramanyam , Ivan Maliyov , Thomas D. Swinburne

Federated learning (FL), aimed at leveraging vast distributed datasets, confronts a crucial challenge: the heterogeneity of data across different silos. While previous studies have explored discrete representations to enhance model…

Machine Learning · Computer Science 2025-06-06 Tianyi Zhang , Yu Cao , Dianbo Liu

A central question in machine learning is how reliable the predictions of a trained model are. Reliability includes the identification of instances for which a model is likely not to be trusted based on an analysis of the learning system…

Quantum Physics · Physics 2026-01-21 Marie Kempkes , Jakob Spiegelberg , Evert van Nieuwenburg , Vedran Dunjko

Deep learning models are extensively used in various safety critical applications. Hence these models along with being accurate need to be highly reliable. One way of achieving this is by quantifying uncertainty. Bayesian methods for UQ…

Computer Vision and Pattern Recognition · Computer Science 2020-07-06 Swaroop Bhandary K , Nico Hochgeschwender , Paul Plöger , Frank Kirchner , Matias Valdenegro-Toro

The use of deep learning for medical imaging has seen tremendous growth in the research community. One reason for the slow uptake of these systems in the clinical setting is that they are complex, opaque and tend to fail silently. Outside…

Computer Vision and Pattern Recognition · Computer Science 2018-07-03 Terrance DeVries , Graham W. Taylor

A crucial requirement for reliable deployment of deep learning models for safety-critical applications is the ability to identify out-of-distribution (OOD) data points, samples which differ from the training data and on which a model might…

Machine Learning · Computer Science 2021-06-11 Dennis Ulmer , Giovanni Cinà

Multi-agent trajectory modeling has primarily focused on forecasting future states, often overlooking broader tasks like trajectory completion, which are crucial for real-world applications such as correcting tracking data. Existing methods…

Computer Vision and Pattern Recognition · Computer Science 2025-04-01 Guillem Capellera , Antonio Rubio , Luis Ferraz , Antonio Agudo

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

Machine Learning · Computer Science 2023-02-08 Apostolos F Psaros , Xuhui Meng , Zongren Zou , Ling Guo , George Em Karniadakis

Laplace Neural Operators (LNOs) have recently emerged as a promising approach in scientific machine learning due to the ability to learn nonlinear maps between functional spaces. However, this framework often requires substantial amounts of…

Machine Learning · Computer Science 2025-02-04 Haoyang Zheng , Guang Lin

The ability to estimate epistemic uncertainty is often crucial when deploying machine learning in the real world, but modern methods often produce overconfident, uncalibrated uncertainty predictions. A common approach to quantify epistemic…

We derive universal upper estimates for model-prediction error under moderate but otherwise unknown model uncertainty. Our estimates give upper bounds on the leading order trajectory-uncertainty arising along model trajectories, solely as…

Chaotic Dynamics · Physics 2021-02-03 Bálint Kaszás , George Haller
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