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Reliable uncertainty calibration is essential for safely deploying deep neural networks in high-stakes applications. Deep neural networks are known to exhibit systematic overconfidence, especially under distribution shifts. Although…

Machine Learning · Computer Science 2025-06-12 Achim Hekler , Lukas Kuhn , Florian Buettner

Motivated by structures that appear in deep neural networks, we investigate nonlinear composite models alternating proximity and affine operators defined on different spaces. We first show that a wide range of activation operators used in…

Optimization and Control · Mathematics 2019-03-19 Patrick L. Combettes , Jean-Christophe Pesquet

Neural Linear Models (NLM) are deep Bayesian models that produce predictive uncertainty by learning features from the data and then performing Bayesian linear regression over these features. Despite their popularity, few works have focused…

Machine Learning · Statistics 2021-06-25 Cooper Lorsung

Radial basis function neural networks (RBFs) are prime candidates for pattern classification and regression and have been used extensively in classical machine learning applications. However, RBFs have not been integrated into contemporary…

Computer Vision and Pattern Recognition · Computer Science 2022-08-25 Mohammadreza Amirian , Friedhelm Schwenker

Deep learning models, including modern systems like large language models, are well known to offer unreliable estimates of the uncertainty of their decisions. In order to improve the quality of the confidence levels, also known as…

Machine Learning · Computer Science 2024-04-15 Jiayi Huang , Sangwoo Park , Osvaldo Simeone

Deep neural network (DNN) classifiers are often overconfident, producing miscalibrated class probabilities. In high-risk applications like healthcare, practitioners require $\textit{fully calibrated}$ probability predictions for…

Machine Learning · Statistics 2022-12-09 Zhen Lin , Shubhendu Trivedi , Jimeng Sun

We consider the task of robust non-linear regression in the presence of both inlier noise and outliers. Assuming that the unknown non-linear function belongs to a Reproducing Kernel Hilbert Space (RKHS), our goal is to estimate the set of…

Machine Learning · Computer Science 2017-08-02 George Papageorgiou , Pantelis Bouboulis , Sergios Theodoridis

Deep Gaussian processes (DGPs) provide a Bayesian non-parametric alternative to standard parametric deep learning models. A DGP is formed by stacking multiple GPs resulting in a well-regularized composition of functions. The Bayesian…

Machine Learning · Statistics 2018-06-06 Vinayak Kumar , Vaibhav Singh , P. K. Srijith , Andreas Damianou

Nonlinear activation functions are widely recognized for enhancing the expressivity of neural networks, which is the primary reason for their widespread implementation. In this work, we focus on ReLU activation and reveal a novel and…

Machine Learning · Computer Science 2025-10-22 Chaoyue Liu , Han Bi , Like Hui , Xiao Liu

Activation functions play a central role in neural networks by shaping internal representations. Recently, learning binary activation representations has attracted significant attention due to their advantages in computational and memory…

Machine Learning · Computer Science 2026-05-13 Seokhun Park , Choeun Kim , Kwanho Lee , Sehyun Park , Insung Kong , Yongdai Kim

We study wide Bayesian neural networks focusing on the rare but statistically dominant fluctuations that govern posterior concentration, beyond Gaussian-process limits. Large-deviation theory provides explicit variational objectives-rate…

Machine Learning · Statistics 2026-02-27 Katerina Papagiannouli , Dario Trevisan , Giuseppe Pio Zitto

One of the distinguishing characteristics of modern deep learning systems is that they typically employ neural network architectures that utilize enormous numbers of parameters, often in the millions and sometimes even in the billions.…

Machine Learning · Statistics 2021-11-15 Ben Adlam , Jake Levinson , Jeffrey Pennington

Class imbalance is a common challenge in machine learning and data mining, often leading to suboptimal performance in classifiers. While deep learning excels in feature extraction, its performance still deteriorates under imbalanced data.…

Machine Learning · Computer Science 2025-12-24 Sukumar Kishanthan , Asela Hevapathige

Bayesian inference for neural networks, or Bayesian deep learning, has the potential to provide well-calibrated predictions with quantified uncertainty and robustness. However, the main hurdle for Bayesian deep learning is its computational…

Machine Learning · Statistics 2023-09-07 Sanket Jantre , Nathan M. Urban , Xiaoning Qian , Byung-Jun Yoon

The family of Mat\'ern kernels are often used in spatial statistics, function approximation and Gaussian process methods in machine learning. One reason for their popularity is the presence of a smoothness parameter that controls, for…

Statistics Theory · Mathematics 2025-06-06 Moritz Korte-Stapff , Toni Karvonen , Eric Moulines

We show that training a deep network using batch normalization is equivalent to approximate inference in Bayesian models. We further demonstrate that this finding allows us to make meaningful estimates of the model uncertainty using…

Machine Learning · Statistics 2018-07-17 Mattias Teye , Hossein Azizpour , Kevin Smith

Predicting bioactivity and physical properties of small molecules is a central challenge in drug discovery. Deep learning is becoming the method of choice but studies to date focus on mean accuracy as the main metric. However, to replace…

Machine Learning · Computer Science 2019-07-26 Yao Zhang , Alpha A. Lee

This work explores the neural network approximation capabilities for functions within the spectral Barron space $\mathscr{B}^s$, where $s$ is the smoothness index. We demonstrate that for functions in $\mathscr{B}^{1/2}$, a shallow neural…

Numerical Analysis · Mathematics 2025-07-10 Yulei Liao , Pingbing Ming , Hao Yu

Active learning methods for neural networks are usually based on greedy criteria which ultimately give a single new design point for the evaluation. Such an approach requires either some heuristics to sample a batch of design points at one…

Machine Learning · Computer Science 2020-01-28 Evgenii Tsymbalov , Sergei Makarychev , Alexander Shapeev , Maxim Panov

Deep feedforward neural networks (DFNNs) are a powerful tool for functional approximation. We describe flexible versions of generalized linear and generalized linear mixed models incorporating basis functions formed by a DFNN. The…

Computation · Statistics 2018-05-28 Minh-Ngoc Tran , Nghia Nguyen , David Nott , Robert Kohn