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Bayesian Optimization is a popular approach for optimizing expensive black-box functions. Its key idea is to use a surrogate model to approximate the objective and, importantly, quantify the associated uncertainty that allows a sequential…

Machine Learning · Statistics 2025-02-05 Haoxian Chen , Henry Lam

This paper presents four theoretical contributions that improve the usability of risk certificates for neural networks based on PAC-Bayes bounds. First, two bounds on the KL divergence between Bernoulli distributions enable the derivation…

Machine Learning · Computer Science 2025-11-12 Diego García-Pérez , Emilio Parrado-Hernández , John Shawe-Taylor

This work discusses how to derive upper bounds for the expected generalisation error of supervised learning algorithms by means of the chaining technique. By developing a general theoretical framework, we establish a duality between…

Machine Learning · Statistics 2022-07-01 Eugenio Clerico , Amitis Shidani , George Deligiannidis , Arnaud Doucet

We present a probabilistic model for stochastic iterative algorithms with the use case of optimization algorithms in mind. Based on this model, we present PAC-Bayesian generalization bounds for functions that are defined on the trajectory…

Machine Learning · Computer Science 2024-08-22 Michael Sucker , Peter Ochs

We propose an extensive analysis of the behavior of majority votes in binary classification. In particular, we introduce a risk bound for majority votes, called the C-bound, that takes into account the average quality of the voters and…

Machine Learning · Statistics 2015-07-30 Pascal Germain , Alexandre Lacasse , François Laviolette , Mario Marchand , Jean-Francis Roy

Area under ROC (AUC) is an important metric for binary classification and bipartite ranking problems. However, it is difficult to directly optimizing AUC as a learning objective, so most existing algorithms are based on optimizing a…

Machine Learning · Computer Science 2018-05-28 Siwei Lyu , Yiming Ying

We extend PAC-Bayesian theory to generative models and develop generalization bounds for models based on the Wasserstein distance and the total variation distance. Our first result on the Wasserstein distance assumes the instance space is…

Machine Learning · Computer Science 2023-11-15 Sokhna Diarra Mbacke , Florence Clerc , Pascal Germain

Adversarial robustness is an increasingly critical property of classifiers in applications. The design of robust algorithms relies on surrogate losses since the optimization of the adversarial loss with most hypothesis sets is NP-hard. But…

Machine Learning · Computer Science 2021-05-05 Pranjal Awasthi , Natalie Frank , Anqi Mao , Mehryar Mohri , Yutao Zhong

Gaussian process regression is a popular Bayesian framework for surrogate modeling of expensive data sources. As part of a broader effort in scientific machine learning, many recent works have incorporated physical constraints or other a…

Machine Learning · Computer Science 2021-01-07 Laura Swiler , Mamikon Gulian , Ari Frankel , Cosmin Safta , John Jakeman

PAC-Bayesian set up involves a stochastic classifier characterized by a posterior distribution on a classifier set, offers a high probability bound on its averaged true risk and is robust to the training sample used. For a given posterior,…

Machine Learning · Computer Science 2019-12-17 Puja Sahu , Nandyala Hemachandra

Conventional techniques for supervised classification constrain the classification rules considered and use surrogate losses for classification 0-1 loss. Favored families of classification rules are those that enjoy parametric…

Machine Learning · Statistics 2019-06-03 Santiago Mazuelas , Andrea Zanoni , Aritz Perez

This paper introduces a new principled approach for off-policy learning in contextual bandits. Unlike previous work, our approach does not derive learning principles from intractable or loose bounds. We analyse the problem through the…

Machine Learning · Statistics 2023-05-30 Otmane Sakhi , Pierre Alquier , Nicolas Chopin

We explore the family of methods "PAC-Bayes with Backprop" (PBB) to train probabilistic neural networks by minimizing PAC-Bayes bounds. We present two training objectives, one derived from a previously known PAC-Bayes bound, and a second…

Machine Learning · Computer Science 2019-10-07 Omar Rivasplata , Vikram M Tankasali , Csaba Szepesvari

A standard approach in pattern classification is to estimate the distributions of the label classes, and then to apply the Bayes classifier to the estimates of the distributions in order to classify unlabeled examples. As one might expect,…

Machine Learning · Computer Science 2007-05-23 Nick Palmer , Paul W. Goldberg

We propose data-dependent uniform generalization bounds by approaching the problem from a PAC-Bayesian perspective. We first apply the PAC-Bayesian framework on "random sets" in a rigorous way, where the training algorithm is assumed to…

Machine Learning · Statistics 2025-02-11 Benjamin Dupuis , Paul Viallard , George Deligiannidis , Umut Simsekli

Recent research has introduced a key notion of $H$-consistency bounds for surrogate losses. These bounds offer finite-sample guarantees, quantifying the relationship between the zero-one estimation error (or other target loss) and the…

Machine Learning · Computer Science 2025-12-30 Anqi Mao , Mehryar Mohri , Yutao Zhong

We study PAC-Bayesian generalization bounds for Multilayer Perceptrons (MLPs) with the cross entropy loss. Above all, we introduce probabilistic explanations for MLPs in two aspects: (i) MLPs formulate a family of Gibbs distributions, and…

Machine Learning · Computer Science 2020-06-18 Xinjie Lan , Xin Guo , Kenneth E. Barner

We prove semi-empirical concentration inequalities for random variables which are given as possibly nonlinear functions of independent random variables. These inequalities describe concentration of random variable in terms of the…

Machine Learning · Computer Science 2020-02-04 Ilja Kuzborskij , Csaba Szepesvári

Symmetries are known to improve the empirical performance of machine learning models, yet theoretical guarantees explaining these gains remain limited. Prior work has focused mainly on compact group symmetries and often assumes that the…

Machine Learning · Computer Science 2025-10-21 Armin Beck , Peter Ochs

Bayesian posterior distributions arising in modern applications, including inverse problems in partial differential equation models in tomography and subsurface flow, are often computationally intractable due to the large computational cost…

Machine Learning · Statistics 2023-02-10 Tapio Helin , Andrew Stuart , Aretha Teckentrup , Konstantinos Zygalakis