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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…

机器学习 · 计算机科学 2019-04-25 Yonatan Geifman , Guy Uziel , Ran El-Yaniv

Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models require uncertainty quantification (UQ) as drug discovery explores chemical space beyond the training…

In this work we introduce a new framework for performing temporal predictions in the presence of uncertainty. It is based on a simple idea of disentangling components of the future state which are predictable from those which are inherently…

人工智能 · 计算机科学 2017-12-04 Mikael Henaff , Junbo Zhao , Yann LeCun

Deep learning has enabled algorithms to generate realistic images. However, accurately predicting long video sequences requires understanding long-term dependencies and remains an open challenge. While existing video prediction models…

计算机视觉与模式识别 · 计算机科学 2021-02-23 Vaibhav Saxena , Jimmy Ba , Danijar Hafner

Assessing the predictive uncertainty of deep neural networks is crucial for safety-related applications of deep learning. Although Bayesian deep learning offers a principled framework for estimating model uncertainty, the common approaches…

机器学习 · 计算机科学 2024-03-06 Yookoon Park , David M. Blei

The vast majority of stochastic simulation models are imperfect in that they fail to exactly emulate real system dynamics. The inexactness of the simulation model, or model discrepancy, can impact the predictive accuracy and usefulness of…

统计方法学 · 统计学 2017-07-21 Matthew Plumlee , Henry Lam

We develop a novel deep learning method for uncertainty quantification in stochastic partial differential equations based on Bayesian neural network (BNN) and Hamiltonian Monte Carlo (HMC). A BNN efficiently learns the posterior…

机器学习 · 统计学 2022-10-24 Jeahan Jung , Minseok Choi

Generative models that can model and predict sequences of future events can, in principle, learn to capture complex real-world phenomena, such as physical interactions. However, a central challenge in video prediction is that the future is…

计算机视觉与模式识别 · 计算机科学 2020-02-13 Manoj Kumar , Mohammad Babaeizadeh , Dumitru Erhan , Chelsea Finn , Sergey Levine , Laurent Dinh , Durk Kingma

We introduce a physics-informed Bayesian Neural Network (BNN) with flow approximated posteriors using multiplicative normalizing flows (MNF) for detailed uncertainty quantification (UQ) at the physics event-level. Our method is capable of…

机器学习 · 计算机科学 2023-10-05 Cristiano Fanelli , James Giroux

Given a visual history, multiple future outcomes for a video scene are equally probable, in other words, the distribution of future outcomes has multiple modes. Multimodality is notoriously hard to handle by standard regressors or…

计算机视觉与模式识别 · 计算机科学 2017-05-08 Katerina Fragkiadaki , Jonathan Huang , Alex Alemi , Sudheendra Vijayanarasimhan , Susanna Ricco , Rahul Sukthankar

Quality control (QC) of medical images is essential to ensure that downstream analyses such as segmentation can be performed successfully. Currently, QC is predominantly performed visually at significant time and operator cost. We aim to…

图像与视频处理 · 电气工程与系统科学 2020-02-03 Richard Shaw , Carole H. Sudre , Sebastien Ourselin , M. Jorge Cardoso

Deep Neural Networks (DNNs) have demonstrated remarkable performance across various domains, including computer vision and natural language processing. However, they often struggle to accurately quantify the uncertainty of their…

机器学习 · 计算机科学 2025-11-14 Adrien Lafage , Olivier Laurent , Firas Gabetni , Gianni Franchi

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

机器学习 · 计算机科学 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

We analyze an ensemble-based approach for uncertainty quantification (UQ) in atomistic neural networks. This method generates an epistemic uncertainty signal without requiring changes to the underlying multi-headed regression neural network…

化学物理 · 物理学 2025-11-21 Idan Fonea , Amir Peles , Sivan Niv , Goren Gordon , Amir Natan

Uncertainty quantification (UQ) has increasing importance in building robust high-performance and generalizable materials property prediction models. It can also be used in active learning to train better models by focusing on getting new…

材料科学 · 物理学 2022-11-14 Daniel Varivoda , Rongzhi Dong , Sadman Sadeed Omee , Jianjun Hu

Development of an accurate, flexible, and numerically efficient uncertainty quantification (UQ) method is one of fundamental challenges in machine learning. Previously, a UQ method called DISCO Nets has been proposed (Bouchacourt et al.,…

机器学习 · 计算机科学 2023-07-06 Takuya Kanazawa , Chetan Gupta

Deep learning-based video compression is a challenging task, and many previous state-of-the-art learning-based video codecs use optical flows to exploit the temporal correlation between successive frames and then compress the residual…

计算机视觉与模式识别 · 计算机科学 2024-03-29 Wufei Ma , Jiahao Li , Bin Li , Yan Lu

Recently, probabilistic predictive coding that directly models the conditional distribution of latent features across successive frames for temporal redundancy removal has yielded promising results. Existing methods using a single-scale…

图像与视频处理 · 电气工程与系统科学 2023-12-13 Ming Lu , Zhihao Duan , Fengqing Zhu , Zhan Ma

Deep learning is gaining increasing popularity for spatiotemporal forecasting. However, prior works have mostly focused on point estimates without quantifying the uncertainty of the predictions. In high stakes domains, being able to…

人工智能 · 计算机科学 2021-06-15 Dongxia Wu , Liyao Gao , Xinyue Xiong , Matteo Chinazzi , Alessandro Vespignani , Yi-An Ma , Rose Yu

The inability of artificial neural networks to assess the uncertainty of their predictions is an impediment to their widespread use. We distinguish two types of learnable uncertainty: model uncertainty due to a lack of training data and…

机器学习 · 计算机科学 2022-06-14 Hans Weytjens , Jochen De Weerdt