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A particularly challenging problem in AI safety is providing guarantees on the behavior of high-dimensional autonomous systems. Verification approaches centered around reachability analysis fail to scale, and purely statistical approaches…

Uncertainty quantification is a critical yet unsolved challenge for deep learning, especially for the time series imputation with irregularly sampled measurements. To tackle this problem, we propose a novel framework based on the principles…

机器学习 · 计算机科学 2023-06-05 Shweta Dahale , Sai Munikoti , Balasubramaniam Natarajan

Deep neural networks are behind many of the recent successes in machine learning applications. However, these models can produce overconfident decisions while encountering out-of-distribution (OOD) examples or making a wrong prediction.…

机器学习 · 计算机科学 2021-06-24 Navid Kardan , Ankit Sharma , Kenneth O. Stanley

This paper investigates novel classifier ensemble techniques for uncertainty calibration applied to various deep neural networks for image classification. We evaluate both accuracy and calibration metrics, focusing on Expected Calibration…

计算机视觉与模式识别 · 计算机科学 2025-01-20 Michael Schulze , Nikolas Ebert , Laurenz Reichardt , Oliver Wasenmüller

Uncertainty quantification in deep learning is crucial for safe and reliable decision-making in downstream tasks. Existing methods quantify uncertainty at the last layer or other approximations of the network which may miss some sources of…

机器学习 · 统计学 2025-04-25 James McInerney , Nathan Kallus

Rigorous statistical methods, including parameter estimation with accompanying uncertainties, underpin the validity of scientific discovery, especially in the natural sciences. With increasingly complex data models such as deep learning…

机器学习 · 计算机科学 2026-02-18 Aurora Grefsrud , Nello Blaser , Trygve Buanes

Uncertainty quantification is an important and challenging problem in deep learning. Previous methods rely on dropout layers which are not present in modern deep architectures or batch normalization which is sensitive to batch sizes. In…

计算机视觉与模式识别 · 计算机科学 2020-07-10 Lukasz Wandzik , Raul Vicente Garcia , Jörg Krüger

This paper introduces a novel and scalable framework for uncertainty estimation and separation with applications in data driven modeling in science and engineering tasks where reliable uncertainty quantification is critical. Leveraging an…

机器学习 · 计算机科学 2024-12-19 Navid Ansari , Hans-Peter Seidel , Vahid Babaei

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…

计算物理 · 物理学 2023-05-10 Albert Zhu , Simon Batzner , Albert Musaelian , Boris Kozinsky

Deep ensembles can be considered as the current state-of-the-art for uncertainty quantification in deep learning. While the approach was originally proposed as a non-Bayesian technique, arguments supporting its Bayesian footing have been…

机器学习 · 计算机科学 2021-11-19 Lara Hoffmann , Clemens Elster

Real-world time series data often exhibits substantial missing values, posing challenges for advanced analysis. A common approach to addressing this issue is imputation, where the primary challenge lies in determining the appropriate values…

机器学习 · 计算机科学 2025-12-02 Ying Liu , Peng Cui , Wenbo Hu , Richang Hong

Deep neural networks have become the default choice for many of the machine learning tasks such as classification and regression. Dropout, a method commonly used to improve the convergence of deep neural networks, generates an ensemble of…

机器学习 · 统计学 2019-04-11 Tal Kachman , Michal Moshkovitz , Michal Rosen-Zvi

We introduce a methodology for designing and training deep neural networks (DNN) that we call "Deep Regression Ensembles" (DRE). It bridges the gap between DNN and two-layer neural networks trained with random feature regression. Each layer…

机器学习 · 统计学 2022-03-11 Antoine Didisheim , Bryan Kelly , Semyon Malamud

We propose a framework for learning calibrated uncertainties under domain shifts, where the source (training) distribution differs from the target (test) distribution. We detect such domain shifts via a differentiable density ratio…

机器学习 · 计算机科学 2024-02-07 Haoxuan Wang , Zhiding Yu , Yisong Yue , Anima Anandkumar , Anqi Liu , Junchi Yan

With the recently rapid development in deep learning, deep neural networks have been widely adopted in many real-life applications. However, deep neural networks are also known to have very little control over its uncertainty for unseen…

机器学习 · 计算机科学 2019-04-23 Wenhu Chen , Yilin Shen , Hongxia Jin , William Wang

Neural networks have proven successful at learning from complex data distributions by acting as universal function approximators. However, they are often overconfident in their predictions, which leads to inaccurate and miscalibrated…

机器学习 · 计算机科学 2021-02-23 Jeffrey Willette , Juho Lee , Sung Ju Hwang

Enhancing the robustness and accuracy of time series forecasting models is an active area of research. Recently, Artificial Neural Networks (ANNs) have found extensive applications in many practical forecasting problems. However, the…

神经与进化计算 · 计算机科学 2013-02-27 Ratnadip Adhikari , R. K. Agrawal

Ensembles of neural networks achieve superior performance compared to stand-alone networks in terms of accuracy, uncertainty calibration and robustness to dataset shift. \emph{Deep ensembles}, a state-of-the-art method for uncertainty…

机器学习 · 计算机科学 2022-02-23 Sheheryar Zaidi , Arber Zela , Thomas Elsken , Chris Holmes , Frank Hutter , Yee Whye Teh

Calibrating the confidence of supervised learning models is important for a variety of contexts where the certainty over predictions should be reliable. However, it has been reported that deep neural network models are often too poorly…

机器学习 · 计算机科学 2018-02-23 Changjian Shui , Azadeh Sadat Mozafari , Jonathan Marek , Ihsen Hedhli , Christian Gagné

Despite of its importance for safe machine learning, uncertainty quantification for neural networks is far from being solved. State-of-the-art approaches to estimate neural uncertainties are often hybrid, combining parametric models with…

机器学习 · 计算机科学 2021-12-03 Joachim Sicking , Maram Akila , Maximilian Pintz , Tim Wirtz , Asja Fischer , Stefan Wrobel