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In decision-making systems, it is important to have classifiers that have calibrated uncertainties, with an optimisation objective that can be used for automated model selection and training. Gaussian processes (GPs) provide uncertainty…

Machine Learning · Statistics 2020-03-05 Vincent Dutordoir , Mark van der Wilk , Artem Artemev , James Hensman

In this paper, we present generalization bounds for the unsupervised risk in the Deep Contrastive Representation Learning framework, which employs deep neural networks as representation functions. We approach this problem from two angles.…

Machine Learning · Statistics 2024-12-20 Nong Minh Hieu , Antoine Ledent , Yunwen Lei , Cheng Yeaw Ku

One of the main theoretical challenges in learning dynamical systems from data is providing upper bounds on the generalization error, that is, the difference between the expected prediction error and the empirical prediction error measured…

Machine Learning · Computer Science 2024-05-22 Daniel Racz , Martin Gonzalez , Mihaly Petreczky , Andras Benczur , Balint Daroczy

Learning tasks play an increasingly prominent role in quantum information and computation. They range from fundamental problems such as state discrimination and metrology over the framework of quantum probably approximately correct (PAC)…

The primary objective of learning methods is generalization. Classic uniform generalization bounds, which rely on VC-dimension or Rademacher complexity, fail to explain the significant attribute that over-parameterized models in deep…

Machine Learning · Computer Science 2025-03-07 Lijia Yu , Yibo Miao , Yifan Zhu , Xiao-Shan Gao , Lijun Zhang

Bayesian learning is a powerful learning framework which combines the external information of the data (background information) with the internal information (training data) in a logically consistent way in inference and prediction. By…

Machine Learning · Statistics 2026-02-11 Erdong Guo , David Draper

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is…

Machine Learning · Computer Science 2023-05-16 Huayi Tang , Yong Liu

We establish a margin based data dependent generalization error bound for a general family of deep neural networks in terms of the depth and width, as well as the Jacobian of the networks. Through introducing a new characterization of the…

Machine Learning · Computer Science 2019-07-05 Xingguo Li , Junwei Lu , Zhaoran Wang , Jarvis Haupt , Tuo Zhao

We present a family of novel block-sample MAC-Bayes bounds (mean approximately correct). While PAC-Bayes bounds (probably approximately correct) typically give bounds for the generalization error that hold with high probability, MAC-Bayes…

Machine Learning · Computer Science 2026-02-16 Matthias Frey , Jingge Zhu , Michael C. Gastpar

In this position paper, we argue that many post-mortem generalization measures -- those computed on trained networks -- are \textbf{fragile}: small training modifications that barely affect the performance of the underlying deep neural…

Machine Learning · Computer Science 2026-02-12 Shuofeng Zhang , Ard Louis

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

In structured prediction, target objects have rich internal structure which does not factorize into independent components and violates common i.i.d. assumptions. This challenge becomes apparent through the exponentially large output space…

Machine Learning · Statistics 2023-10-17 Bastian Boll , Christoph Schnörr

Providing non-conservative uncertainty quantification for function estimates derived from noisy observations remains a fundamental challenge in statistical machine learning, particularly for applications in safety-critical domains. In this…

Machine Learning · Computer Science 2026-05-12 Johannes Teutsch , Oleksii Molodchyk , Marion Leibold , Timm Faulwasser , Armin Lederer

We study transformers' generalization behavior on boolean domains from the perspective of the Fourier spectra of their target functions. In contrast to prior work (Edelman et al., 2022; Trauger & Tosh, 2024), which derived generalization…

Machine Learning · Computer Science 2026-05-27 Paul Lintilhac , Sair Shaikh

Accurate uncertainty quantification is a major challenge in deep learning, as neural networks can make overconfident errors and assign high confidence predictions to out-of-distribution (OOD) inputs. The most popular approaches to estimate…

The classical statistical learning theory implies that fitting too many parameters leads to overfitting and poor performance. That modern deep neural networks generalize well despite a large number of parameters contradicts this finding and…

Machine Learning · Statistics 2022-10-18 Masaaki Imaizumi , Johannes Schmidt-Hieber

Recent advances in deep learning have given us some very promising results on the generalization ability of deep neural networks, however literature still lacks a comprehensive theory explaining why heavily over-parametrized models are able…

Machine Learning · Computer Science 2023-12-05 Dániel Rácz , Mihály Petreczky , András Csertán , Bálint Daróczy

A unified framework for learning under covariate shift is presented, in which a constrained density-ratio network approximates the Radon-Nikodym derivative $r^\star = dP/dQ$ and feeds an anytime PAC-Bayes generalization certificate. A…

Machine Learning · Computer Science 2026-05-25 Paulo Akira F. Enabe

In this paper, we investigate the question: Given a small number of datapoints, for example N = 30, how tight can PAC-Bayes and test set bounds be made? For such small datasets, test set bounds adversely affect generalisation performance by…

Machine Learning · Statistics 2022-01-14 Andrew Y. K. Foong , Wessel P. Bruinsma , David R. Burt , Richard E. Turner

Inductive Conformal Prediction (ICP) provides a practical and effective approach for equipping deep learning models with uncertainty estimates in the form of set-valued predictions which are guaranteed to contain the ground truth with high…

Machine Learning · Computer Science 2023-12-11 Apoorva Sharma , Sushant Veer , Asher Hancock , Heng Yang , Marco Pavone , Anirudha Majumdar