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Uncertainty estimation is crucial in scientific data for machine learning. Current uncertainty estimation methods mainly focus on the model's inherent uncertainty, while neglecting the explicit modeling of noise in the data. Furthermore,…

Machine Learning · Computer Science 2024-09-13 Guangxuan Song , Dongmei Fu , Zhongwei Qiu , Jintao Meng , Dawei Zhang

Deep generative models (DGMs) seem a natural fit for detecting out-of-distribution (OOD) inputs, but such models have been shown to assign higher probabilities or densities to OOD images than images from the training distribution. In this…

Machine Learning · Computer Science 2021-07-20 Lily H. Zhang , Mark Goldstein , Rajesh Ranganath

Deep Ensembles, as a type of Bayesian Neural Networks, can be used to estimate uncertainty on the prediction of multiple neural networks by collecting votes from each network and computing the difference in those predictions. In this paper,…

Machine Learning · Computer Science 2023-07-10 Illia Oleksiienko , Alexandros Iosifidis

In this paper, we approach the problem of uncertainty quantification in deep learning through a predictive framework, which captures uncertainty in model parameters by specifying our assumptions about the predictive distribution of unseen…

Machine Learning · Statistics 2024-03-20 Luhuan Wu , Sinead Williamson

Deep metric learning aims to learn an embedding space where the distance between data reflects their class equivalence, even when their classes are unseen during training. However, the limited number of classes available in training…

Computer Vision and Pattern Recognition · Computer Science 2022-01-05 Kyungmoon Lee , Sungyeon Kim , Seunghoon Hong , Suha Kwak

One of the fundamental problems in machine learning is the estimation of a probability distribution from data. Many techniques have been proposed to study the structure of data, most often building around the assumption that observations…

Machine Learning · Statistics 2013-02-22 Oren Rippel , Ryan Prescott Adams

We present a convolutional neural network to classify distinct cosmological scenarios based on the statistically similar weak-lensing maps they generate. Modified gravity (MG) models that include massive neutrinos can mimic the standard…

Cosmology and Nongalactic Astrophysics · Physics 2019-07-17 Austin Peel , Florian Lalande , Jean-Luc Starck , Valeria Pettorino , Julian Merten , Carlo Giocoli , Massimo Meneghetti , Marco Baldi

This work introduces a novel probabilistic deep learning technique called deep Gaussian mixture ensembles (DGMEs), which enables accurate quantification of both epistemic and aleatoric uncertainty. By assuming the data generating process…

Machine Learning · Statistics 2023-06-13 Yousef El-Laham , Niccolò Dalmasso , Elizabeth Fons , Svitlana Vyetrenko

Out-of-Distribution detection between dataset pairs has been extensively explored with generative models. We show that likelihood-based Out-of-Distribution detection can be extended to diffusion models by leveraging the fact that they, like…

Machine Learning · Computer Science 2023-10-27 Joseph Goodier , Neill D. F. Campbell

Common variable star classifiers are built only with the goal of producing the correct class labels, leaving much of the multi-task capability of deep neural networks unexplored. We present a periodic light curve classifier that combines a…

Instrumentation and Methods for Astrophysics · Physics 2019-05-29 Benny T. -H. Tsang , William C. Schultz

Numerous machine learning (ML) models have been developed, including those for software engineering (SE) tasks, under the assumption that training and testing data come from the same distribution. However, training and testing distributions…

Software Engineering · Computer Science 2025-03-04 Yanfu Yan , Viet Duong , Huajie Shao , Denys Poshyvanyk

Advances in deep generative and density models have shown impressive capacity to model complex probability density functions in lower-dimensional space. Also, applying such models to high-dimensional image data to model the PDF has shown…

Machine Learning · Computer Science 2019-11-13 John Just , Sambuddha Ghosal

Machine-learned potentials (MLPs) have revolutionized materials discovery by providing accurate and efficient predictions of molecular and material properties. Graph Neural Networks (GNNs) have emerged as a state-of-the-art approach due to…

Machine Learning · Computer Science 2025-04-18 Tirtha Vinchurkar , Kareem Abdelmaqsoud , John R. Kitchin

Accurate delineation of fine-scale structures is a very important yet challenging problem. Existing methods use topological information as an additional training loss, but are ultimately making pixel-wise predictions. In this paper, we…

Image and Video Processing · Electrical Eng. & Systems 2022-10-04 Xiaoling Hu , Dimitris Samaras , Chao Chen

Existing uncertainty modeling approaches try to detect an out-of-distribution point from the in-distribution dataset. We extend this argument to detect finer-grained uncertainty that distinguishes between (a). certain points, (b). uncertain…

Machine Learning · Computer Science 2020-02-12 Rahul Soni , Naresh Shah , Jimmy D. Moore

Out-of-distribution (OOD) detection identifies test samples that differ from the training data, which is critical to ensuring the safety and reliability of machine learning (ML) systems. While a plethora of methods have been developed to…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Viet Duong , Qiong Wu , Zhengyi Zhou , Eric Zavesky , Jiahe Chen , Xiangzhou Liu , Wen-Ling Hsu , Huajie Shao

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

Objective functions that optimize deep neural networks play a vital role in creating an enhanced feature representation of the input data. Although cross-entropy-based loss formulations have been extensively used in a variety of supervised…

Computer Vision and Pattern Recognition · Computer Science 2023-12-19 Deen Dayal Mohan , Bhavin Jawade , Srirangaraj Setlur , Venu Govindaraj

Bayesian inference promises a framework for principled uncertainty quantification of neural network predictions. Barriers to adoption include the difficulty of fully characterizing posterior distributions on network parameters and the…

Machine Learning · Statistics 2025-01-22 Katharine Fisher , Youssef Marzouk

Classification of high dimensional data finds wide-ranging applications. In many of these applications equipping the resulting classification with a measure of uncertainty may be as important as the classification itself. In this paper we…

Machine Learning · Computer Science 2018-02-12 Andrea L. Bertozzi , Xiyang Luo , Andrew M. Stuart , Konstantinos C. Zygalakis