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We unify f-divergences, Bregman divergences, surrogate loss bounds (regret bounds), proper scoring rules, matching losses, cost curves, ROC-curves and information. We do this by systematically studying integral and variational…

Machine Learning · Statistics 2009-01-06 Mark D. Reid , Robert C. Williamson

Information-theoretic generalization bounds based on the supersample construction are a central tool for algorithm-dependent generalization analysis in the batch i.i.d.~setting. However, existing supersample conditional mutual information…

Machine Learning · Statistics 2026-05-13 Futoshi Futami , Masahiro Fujisawa

We derive information-theoretic lower bounds on the Bayes risk and generalization error of realizable machine learning models. In particular, we employ an analysis in which the rate-distortion function of the model parameters bounds the…

Machine Learning · Computer Science 2021-11-09 Matthew Nokleby , Ahmad Beirami

Surrogate models - also called emulators - are widely used to facilitate Bayesian inference in settings where computational costs preclude the use of standard posterior inference algorithms. Their deployment is now standard practice across…

Methodology · Statistics 2026-03-17 Andrew Gerard Roberts , Michael C. Dietze , Jonathan H. Huggins

The use of surrogate models instead of computationally expensive simulation codes is very convenient in engineering. Roughly speaking, there are two kinds of surrogate models: the deterministic and the probabilistic ones. These last are…

Applications · Statistics 2015-12-24 Malek Ben Salem , Olivier Roustant , Fabrice Gamboa , Lionel Tomaso

Patch robustness certification ensures no patch within a given bound on a sample can manipulate a deep learning model to predict a different label. However, existing techniques cannot certify samples that cannot meet their strict bars at…

Machine Learning · Computer Science 2023-09-08 Qilin Zhou , Zhengyuan Wei , Haipeng Wang , W. K. Chan

Bayesian methods, distributionally robust optimization methods, and regularization methods are three pillars of trustworthy machine learning combating distributional uncertainty, e.g., the uncertainty of an empirical distribution compared…

Machine Learning · Computer Science 2024-03-26 Shixiong Wang , Haowei Wang

We derive explicit non-asymptotic PAC-Bayes generalization bounds for Gibbs posteriors, that is, data-dependent distributions over model parameters obtained by exponentially tilting a prior with the empirical risk. Unlike classical…

Machine Learning · Statistics 2026-04-21 Chenyang Wang , Yun Yang

We make three related contributions motivated by the challenge of training stochastic neural networks, particularly in a PAC-Bayesian setting: (1) we show how averaging over an ensemble of stochastic neural networks enables a new class of…

Machine Learning · Computer Science 2021-12-16 Felix Biggs , Benjamin Guedj

Some of the tightest information-theoretic generalization bounds depend on the average information between the learned hypothesis and a single training example. However, these sample-wise bounds were derived only for expected generalization…

Machine Learning · Computer Science 2022-12-14 Hrayr Harutyunyan , Greg Ver Steeg , Aram Galstyan

When utilising PAC-Bayes theory for risk certification, it is usually necessary to estimate and bound the Gibbs risk of the PAC-Bayes posterior. Many works in the literature employ a method for this which requires a large number of passes…

Machine Learning · Computer Science 2022-10-21 Felix Biggs

As state-of-the-art neural networks are deployed on reasoning and algorithmic tasks, exactness guarantees become increasingly important. However, high average-case accuracy can still mask inconsistent behaviors. This motivates exact…

Machine Learning · Computer Science 2026-05-25 Artur Back de Luca , Kimon Fountoulakis

Despite remarkable success in a variety of applications, it is well-known that deep learning can fail catastrophically when presented with out-of-distribution data. Toward addressing this challenge, we consider the domain generalization…

Machine Learning · Statistics 2021-11-16 Alexander Robey , George J. Pappas , Hamed Hassani

Domain generalization (DG) aims to learn predictive models that can generalize to unseen domains. Most existing DG approaches focus on learning domain-invariant representations under the assumption of conditional distribution shift (i.e.,…

Machine Learning · Computer Science 2026-02-03 Jewon Yeom , Kyubyung Chae , Hyunggyu Lim , Yoonna Oh , Dongyoon Yang , Taesup Kim

Minimizing an adversarial surrogate risk is a common technique for learning robust classifiers. Prior work showed that convex surrogate losses are not statistically consistent in the adversarial context -- or in other words, a minimizing…

Machine Learning · Computer Science 2025-09-29 Natalie S. Frank

Understanding the generalization behavior of deep neural networks remains a fundamental challenge in modern statistical learning theory. Among existing approaches, PAC-Bayesian norm-based bounds have demonstrated particular promise due to…

Machine Learning · Statistics 2026-01-14 Xinping Yi , Gaojie Jin , Xiaowei Huang , Shi Jin

Supervised learning results typically rely on assumptions of i.i.d. data. Unfortunately, those assumptions are commonly violated in practice. In this work, we tackle such problem by focusing on domain generalization: a formalization where…

Machine Learning · Computer Science 2024-10-30 Isabela Albuquerque , João Monteiro , Mohammad Darvishi , Tiago H. Falk , Ioannis Mitliagkas

As machine learning models, specifically neural networks, are becoming increasingly popular, there are concerns regarding their trustworthiness, specially in safety-critical applications, e.g. actions of an autonomous vehicle must be safe.…

Machine Learning · Computer Science 2023-12-15 Kshitij Goyal , Sebastijan Dumancic , Hendrik Blockeel

We propose a general framework for machine learning based optimization under uncertainty. Our approach replaces the complex forward model by a surrogate, which is learned simultaneously in a one-shot sense when solving the optimal control…

Optimization and Control · Mathematics 2023-12-25 Philipp A. Guth , Claudia Schillings , Simon Weissmann

As deep learning models continue to advance and are increasingly utilized in real-world systems, the issue of robustness remains a major challenge. Existing certified training methods produce models that achieve high provable robustness…

Machine Learning · Computer Science 2023-07-26 Zhakshylyk Nurlanov , Frank R. Schmidt , Florian Bernard