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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…

机器学习 · 计算机科学 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…

最优化与控制 · 数学 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…

机器学习 · 统计学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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.…

机器学习 · 统计学 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.…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

统计理论 · 数学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

数值分析 · 数学 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…

机器学习 · 计算机科学 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…

统计计算 · 统计学 2018-05-28 Minh-Ngoc Tran , Nghia Nguyen , David Nott , Robert Kohn