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Computational imaging is crucial in many disciplines from autonomous driving to life sciences. However, traditional model-driven and iterative methods consume large computational power and lack scalability for imaging. Deep learning (DL) is…

Image and Video Processing · Electrical Eng. & Systems 2024-08-26 Weiru Fan , Xiaobin Tang , Yiyi Liao , Da-Wei Wang

Knowing the uncertainty in a prediction is critical when making expensive investment decisions and when patient safety is paramount, but machine learning (ML) models in drug discovery typically provide only a single best estimate and ignore…

Machine Learning · Computer Science 2021-06-03 Stanley E. Lazic , Dominic P. Williams

Over the past decades, researchers and ML practitioners have come up with better and better ways to build, understand and improve the quality of ML models, but mostly under the key assumption that the training data is distributed…

Machine Learning · Computer Science 2019-10-14 Yeounoh Chung , Peter J. Haas , Eli Upfal , Tim Kraska

As we move away from the data, the predictive uncertainty should increase, since a great variety of explanations are consistent with the little available information. We introduce Distance-Aware Prior (DAP) calibration, a method to correct…

Machine Learning · Statistics 2022-07-19 Gianluca Detommaso , Alberto Gasparin , Andrew Wilson , Cedric Archambeau

Data-driven methods based on machine learning have the potential to accelerate computational analysis of atomic structures. In this context, reliable uncertainty estimates are important for assessing confidence in predictions and enabling…

Machine Learning · Computer Science 2021-11-04 Jonas Busk , Peter Bjørn Jørgensen , Arghya Bhowmik , Mikkel N. Schmidt , Ole Winther , Tejs Vegge

Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near first-principles accuracy at substantially reduced computational cost, making them powerful tools for large-scale materials modeling. The accuracy of…

Materials Science · Physics 2025-08-11 Yonatan Kurniawan , Mingjian Wen , Ellad B. Tadmor , Mark K. Transtrum

Dense prediction tasks are common for 3D point clouds, but the uncertainties inherent in massive points and their embeddings have long been ignored. In this work, we present CUE, a novel uncertainty estimation method for dense prediction…

Robotics · Computer Science 2023-02-28 Kaiwen Cai , Chris Xiaoxuan Lu , Xiaowei Huang

Data-driven forecasts of air quality have recently achieved more accurate short-term predictions. Despite their success, most of the current data-driven solutions lack proper quantifications of model uncertainty that communicate how much to…

Machine Learning · Computer Science 2021-12-07 Abdulmajid Murad , Frank Alexander Kraemer , Kerstin Bach , Gavin Taylor

Deep neural networks are increasingly being used for the analysis of medical images. However, most works neglect the uncertainty in the model's prediction. We propose an uncertainty-aware deep kernel learning model which permits the…

Machine Learning · Computer Science 2021-06-11 Zhiliang Wu , Yinchong Yang , Jindong Gu , Volker Tresp

Deep learning models have demonstrated remarkable success in various fields, including seismology. However, one major challenge in deep learning is the presence of mislabeled examples. Additionally, accurately estimating model uncertainty…

Uncertainty estimation is an essential step in the evaluation of the robustness for deep learning models in computer vision, especially when applied in risk-sensitive areas. However, most state-of-the-art deep learning models either fail to…

Computer Vision and Pattern Recognition · Computer Science 2022-01-12 Lu Mi , Hao Wang , Yonglong Tian , Hao He , Nir Shavit

He et al. (2018) have called into question the utility of pre-training by showing that training from scratch can often yield similar performance to pre-training. We show that although pre-training may not improve performance on traditional…

Machine Learning · Computer Science 2019-10-22 Dan Hendrycks , Kimin Lee , Mantas Mazeika

On top of machine learning models, uncertainty quantification (UQ) functions as an essential layer of safety assurance that could lead to more principled decision making by enabling sound risk assessment and management. The safety and…

Machine Learning · Computer Science 2024-03-28 Venkat Nemani , Luca Biggio , Xun Huan , Zhen Hu , Olga Fink , Anh Tran , Yan Wang , Xiaoge Zhang , Chao Hu

Statistical learning algorithms provide a generally-applicable framework to sidestep time-consuming experiments, or accurate physics-based modeling, but they introduce a further source of error on top of the intrinsic limitations of the…

Chemical Physics · Physics 2024-05-17 Matthias Kellner , Michele Ceriotti

Bayesian averaging over classification models allows the uncertainty of classification outcomes to be evaluated, which is of crucial importance for making reliable decisions in applications such as financial in which risks have to be…

Multimodal foundation models offer a promising framework for robotic perception and planning by processing sensory inputs to generate actionable plans. However, addressing uncertainty in both perception (sensory interpretation) and…

Robotics · Computer Science 2025-04-18 Neel P. Bhatt , Yunhao Yang , Rohan Siva , Daniel Milan , Ufuk Topcu , Zhangyang Wang

Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and materials properties. A common short-coming shared by current approaches, however, is that neural networks only give point…

Computational Physics · Physics 2023-05-10 Albert Zhu , Simon Batzner , Albert Musaelian , Boris Kozinsky

In this study, we explore in depth a few under-studied topics at the intersection of uncertainty estimation and segmentation. Prior work has shown that the quality of uncertainty estimates can be very sensitive to a range of variables. As…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Michael Smith , Frank P. Ferrie

If Uncertainty Quantification (UQ) is crucial to achieve trustworthy Machine Learning (ML), most UQ methods suffer from disparate and inconsistent evaluation protocols. We claim this inconsistency results from the unclear requirements the…

Machine Learning · Computer Science 2022-07-28 Victor Bouvier , Simona Maggio , Alexandre Abraham , Léo Dreyfus-Schmidt

The evolution of Internet and its related communication technologies have consistently increased the risk of cyber-attacks. In this context, a crucial role is played by Intrusion Detection Systems (IDSs), which are security devices designed…

Cryptography and Security · Computer Science 2024-04-10 Jacopo Talpini , Fabio Sartori , Marco Savi
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