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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

Quantifying uncertainty in a model's predictions is important as it enables the safety of an AI system to be increased by acting on the model's output in an informed manner. This is crucial for applications where the cost of an error is…

Computer Vision and Pattern Recognition · Computer Science 2021-05-31 Aria Khoshsirat

The ratio between two probability density functions is an important component of various tasks, including selection bias correction, novelty detection and classification. Recently, several estimators of this ratio have been proposed. Most…

Methodology · Statistics 2014-04-30 Rafael Izbicki , Ann B. Lee , Chad M. Schafer

Dimensionality reduction (DR) is characterized by two longstanding trade-offs. First, there is a global-local preservation tension: methods such as t-SNE and UMAP prioritize local neighborhood preservation, yet may distort global manifold…

Machine Learning · Computer Science 2026-04-06 Zeyang Huang , Angelos Chatzimparmpas , Thomas Höllt , Takanori Fujiwara

We present a new approach for predictive modeling and its uncertainty quantification for mechanical systems, where coarse-grained models such as constitutive relations are derived directly from observation data. We explore the use of a…

Numerical Analysis · Mathematics 2020-06-24 Daniel Z. Huang , Kailai Xu , Charbel Farhat , Eric Darve

In many real-world applications of regression, conditional probability estimation, and uncertainty quantification, exploiting symmetries rooted in physics or geometry can dramatically improve generalization and sample efficiency. While…

Machine Learning · Computer Science 2025-05-28 Daniel Ordoñez-Apraez , Vladimir Kostić , Alek Fröhlich , Vivien Brandt , Karim Lounici , Massimiliano Pontil

Nonlinear dimensionality reduction methods are a popular tool for data scientists and researchers to visualize complex, high dimensional data. However, while these methods continue to improve and grow in number, it is often difficult to…

Machine Learning · Statistics 2019-09-04 Jonathan Johannemann , Robert Tibshirani

Probabilistic regression models the entire predictive distribution of a response variable, offering richer insights than classical point estimates and directly allowing for uncertainty quantification. While diffusion-based generative models…

Machine Learning · Computer Science 2025-10-07 Carlo Kneissl , Christopher Bülte , Philipp Scholl , Gitta Kutyniok

Distributional Reinforcement Learning (DistRL) improves upon expectation-based methods by modeling full return distributions, but standard approaches often remain far from parsimonious. Categorical methods (e.g., C51) rely on fixed supports…

Artificial Intelligence · Computer Science 2026-05-06 Simo Alami C. , Rim Kaddah , Jesse Read , Marie-Paule Cani

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…

Computer Vision and Pattern Recognition · Computer Science 2020-07-10 Lukasz Wandzik , Raul Vicente Garcia , Jörg Krüger

Volumetric optical microscopy using non-diffracting beams enables rapid imaging of 3D volumes by projecting them axially to 2D images but lacks crucial depth information. Addressing this, we introduce MicroDiffusion, a pioneering tool…

Image and Video Processing · Electrical Eng. & Systems 2024-03-19 Mude Hui , Zihao Wei , Hongru Zhu , Fei Xia , Yuyin Zhou

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…

Machine Learning · Computer Science 2023-06-05 Shweta Dahale , Sai Munikoti , Balasubramaniam Natarajan

Though deep neural networks have achieved impressive success on various vision tasks, obvious performance degradation still exists when models are tested in out-of-distribution scenarios. In addressing this limitation, we ponder that the…

Computer Vision and Pattern Recognition · Computer Science 2023-01-18 Xiaotong Li , Zixuan Hu , Jun Liu , Yixiao Ge , Yongxing Dai , Ling-Yu Duan

Equivocal 3D lesion segmentation exhibits high inter-observer variability. Conventional deterministic models ignore this aleatoric uncertainty, producing over-confident masks that obscure clinical risks. Conversely, while generative methods…

Computer Vision and Pattern Recognition · Computer Science 2026-03-05 Chao Wu , Kangxian Xie , Mingchen Gao

We propose two bounded comparison metrics that may be implemented to arbitrary dimensions in regression tasks. One quantifies the structure of uncertainty and the other quantifies the distribution of uncertainty. The structure metric…

Machine Learning · Computer Science 2022-03-10 Ethan Pickering , Themistoklis P. Sapsis

Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better…

Nuclear Theory · Physics 2015-12-23 N. Schunck , J. D. McDonnell , D. Higdon , J. Sarich , S. M. Wild

A class of multivariate spectral representations for real-valued nonstationary random variables is introduced, which is characterised by a general complex Gaussian distribution. In this way, the temporal signal properties -- harmonicity,…

Signal Processing · Electrical Eng. & Systems 2020-07-29 Bruno Scalzo , Ljubisa Stankovic , Danilo P. Mandic

Quantum coherence and entanglement are fundamental resources in quantum technologies, yet their efficient estimation for unknown states by employing minimal resources in experimental settings remains challenging, particularly in…

Quantum Physics · Physics 2026-01-12 Ting Lin , Zhihua Chen , Kai Wu , Zhihua Guo , Zhihao Ma , Shao-Ming Fei

Reward factorization personalizes large language models (LLMs) by decomposing rewards into shared basis functions and user-specific weights. Yet, existing methods estimate user weights from scarce data in isolation and as deterministic…

Computation and Language · Computer Science 2026-04-02 Gyuseok Lee , Wonbin Kweon , Zhenrui Yue , SeongKu Kang , Jiawei Han , Dong Wang

We present a simple comparative framework for testing and developing uncertainty modeling in uncertain marching cubes implementations. The selection of a model to represent the probability distribution of uncertain values directly…

Human-Computer Interaction · Computer Science 2024-09-16 Robert Sisneros , Tushar M. Athawale , David Pugmire , Kenneth Moreland