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Neural networks (NNs) struggle to efficiently solve certain problems, such as learning parities, even when there are simple learning algorithms for those problems. Can NNs discover learning algorithms on their own? We exhibit a NN…

Machine Learning · Computer Science 2023-01-18 Surbhi Goel , Sham Kakade , Adam Tauman Kalai , Cyril Zhang

Reliable predictive uncertainty estimation plays an important role in enabling the deployment of neural networks to safety-critical settings. A popular approach for estimating the predictive uncertainty of neural networks is to define a…

Machine Learning · Statistics 2023-12-29 Tim G. J. Rudner , Zonghao Chen , Yee Whye Teh , Yarin Gal

In this paper, we study the problem of uncertainty estimation and calibration for LLMs. We begin by formulating the uncertainty estimation problem, a relevant yet underexplored area in existing literature. We then propose a supervised…

Machine Learning · Computer Science 2024-10-24 Linyu Liu , Yu Pan , Xiaocheng Li , Guanting Chen

Spectral graph convolutional networks are generalizations of standard convolutional networks for graph-structured data using the Laplacian operator. A common misconception is the instability of spectral filters, i.e. the impossibility to…

Machine Learning · Computer Science 2020-12-21 Axel Nilsson , Xavier Bresson

Uncertainty quantification of neural networks is critical to measuring the reliability and robustness of deep learning systems. However, this often involves costly or inaccurate sampling methods and approximations. This paper presents a…

Machine Learning · Computer Science 2024-03-26 Oren Wright , Yorie Nakahira , José M. F. Moura

Emerging deep-learning (DL)-based techniques have significant potential to revolutionize biomedical imaging. However, one outstanding challenge is the lack of reliability assessment in the DL predictions, whose errors are commonly revealed…

Image and Video Processing · Electrical Eng. & Systems 2019-05-07 Yujia Xue , Shiyi Cheng , Yunzhe Li , Lei Tian

Obtaining Compton Form Factors (CFFs) and Transverse Momentum Dependent parton distribution functions (TMDs) from experimental data using neural network-based information extraction requires the precise propagation of experimental errors.…

High Energy Physics - Phenomenology · Physics 2025-09-16 Dustin Keller

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

Techniques for understanding the functioning of complex machine learning models are becoming increasingly popular, not only to improve the validation process, but also to extract new insights about the data via exploratory analysis. Though…

Machine Learning · Statistics 2018-11-02 Jayaraman J. Thiagarajan , Irene Kim , Rushil Anirudh , Peer-Timo Bremer

Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks…

Machine Learning · Computer Science 2025-12-03 Matteo Tolloso , Davide Bacciu

Turning pass-through network architectures into iterative ones, which use their own output as input, is a well-known approach for boosting performance. In this paper, we argue that such architectures offer an additional benefit: The…

Artificial Intelligence · Computer Science 2025-05-27 Nikita Durasov , Doruk Oner , Jonathan Donier , Hieu Le , Pascal Fua

Understanding the uncertainty of a neural network's (NN) predictions is essential for many purposes. The Bayesian framework provides a principled approach to this, however applying it to NNs is challenging due to large numbers of parameters…

Machine Learning · Statistics 2020-02-27 Tim Pearce , Felix Leibfried , Alexandra Brintrup , Mohamed Zaki , Andy Neely

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

Machine Learning · Computer Science 2023-02-08 Apostolos F Psaros , Xuhui Meng , Zongren Zou , Ling Guo , George Em Karniadakis

In this technical report, we investigate extending convolutional neural networks to the setting where functions are not sampled in a grid pattern. We show that by treating the samples as the average of a function within a cell, we can find…

Computer Vision and Pattern Recognition · Computer Science 2020-10-23 Soroosh Yazdani , Andrea Tagliasacchi

Neural networks used for multi-interaction trajectory reconstruction lack the ability to estimate the uncertainty in their outputs, which would be useful to better analyse and understand the systems they model. In this paper we extend the…

Machine Learning · Computer Science 2020-06-26 Vasileios Karavias , Ben Day , Pietro Liò

While deep neural networks are highly performant and successful in a wide range of real-world problems, estimating their predictive uncertainty remains a challenging task. To address this challenge, we propose and implement a loss function…

Machine Learning · Computer Science 2022-10-14 Tony Tohme , Kevin Vanslette , Kamal Youcef-Toumi

It is commonly recognized that the expressiveness of deep neural networks is contingent upon a range of factors, encompassing their depth, width, and other relevant considerations. Currently, the practical performance of the majority of…

Machine Learning · Computer Science 2023-11-08 Xuan Qi , Yi Wei

This paper investigates the learnability of the nonlinearity property of Boolean functions using neural networks. We train encoder style deep neural networks to learn to predict the nonlinearity of Boolean functions from examples of…

Machine Learning · Computer Science 2025-02-04 Sriram Ranga , Nandish Chattopadhyay , Anupam Chattopadhyay

Reproducibility of a deep-learning fully convolutional neural network is evaluated by training several times the same network on identical conditions (database, hyperparameters, hardware) with non-deterministic Graphics Processings Unit…

Machine Learning · Computer Science 2021-06-01 Wagner Gonçalves Pinto , Antonio Alguacil , Michaël Bauerheim

The purpose of this short and simple note is to clarify a common misconception about convolutional neural networks (CNNs). CNNs are made up of convolutional layers which are shift equivariant due to weight sharing. However, convolutional…

Computer Vision and Pattern Recognition · Computer Science 2023-12-08 Nick McGreivy , Ammar Hakim
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