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Machine Learning is becoming more prevalent in science and engineering, but many approaches do not provide meaningful uncertainty estimates and predictions may also violate known physical knowledge. We propose a Bayesian framework to embed…

Machine Learning · Computer Science 2026-04-29 Matthew Marsh , Benoît Chachuat , Antonio del Rio Chanona

Vulnerability to adversarial attacks is one of the principal hurdles to the adoption of deep learning in safety-critical applications. Despite significant efforts, both practical and theoretical, the problem remains open. In this paper, we…

Machine Learning · Computer Science 2020-06-25 Ginevra Carbone , Matthew Wicker , Luca Laurenti , Andrea Patane , Luca Bortolussi , Guido Sanguinetti

Bilevel optimization has emerged as a technique for addressing a wide range of machine learning problems that involve an outer objective implicitly determined by the minimizer of an inner problem. While prior works have primarily focused on…

Machine Learning · Computer Science 2025-11-18 Fares El Khoury , Edouard Pauwels , Samuel Vaiter , Michael Arbel

Binary Neural Networks (BNNs) rely on a real-valued auxiliary variable W to help binary training. However, pioneering binary works only use W to accumulate gradient updates during backward propagation, which can not fully exploit its power…

Computer Vision and Pattern Recognition · Computer Science 2021-10-13 Weixiang Xu , Qiang Chen , Xiangyu He , Peisong Wang , Jian Cheng

Bayesian neural networks (BNNs) augment deep networks with uncertainty quantification by Bayesian treatment of the network weights. However, such models face the challenge of Bayesian inference in a high-dimensional and usually…

Machine Learning · Computer Science 2021-03-30 Zhijie Deng , Yucen Luo , Jun Zhu , Bo Zhang

Modern machine learning models often employ a huge number of parameters and are typically optimized to have zero training loss; yet surprisingly, they possess near-optimal prediction performance, contradicting classical learning theory. We…

Machine Learning · Statistics 2021-06-08 Zhu Li , Zhi-Hua Zhou , Arthur Gretton

Meta-learning is a framework in which machine learning models train over a set of datasets in order to produce predictions on new datasets at test time. Probabilistic meta-learning has received an abundance of attention from the research…

Machine Learning · Statistics 2023-09-07 Tommy Rochussen

Recent work in unsupervised representation learning has focused on learning deep directed latent-variable models. Fitting these models by maximizing the marginal likelihood or evidence is typically intractable, thus a common approximation…

Machine Learning · Computer Science 2018-02-15 Alexander A. Alemi , Ben Poole , Ian Fischer , Joshua V. Dillon , Rif A. Saurous , Kevin Murphy

Due to its causal semantics, Bayesian networks (BN) have been widely employed to discover the underlying data relationship in exploratory studies, such as brain research. Despite its success in modeling the probability distribution of…

Computer Vision and Pattern Recognition · Computer Science 2015-06-24 Luping Zhou , Lei Wang , Lingqiao Liu , Philip Ogunbona , Dinggang Shen

The prospect of achieving quantum advantage with Quantum Neural Networks (QNNs) is exciting. Understanding how QNN properties (e.g., the number of parameters $M$) affect the loss landscape is crucial to the design of scalable QNN…

Quantum Physics · Physics 2023-06-28 Martin Larocca , Nathan Ju , Diego García-Martín , Patrick J. Coles , M. Cerezo

Recent years have witnessed strong empirical performance of over-parameterized neural networks on various tasks and many advances in the theory, e.g. the universal approximation and provable convergence to global minimum. In this paper, we…

Machine Learning · Statistics 2021-01-26 Shiyun Xu , Zhiqi Bu

The global inducing point variational approximation for BNNs is based on using a set of inducing inputs to construct a series of conditional distributions that accurately approximate the conditionals of the true posterior distribution. Our…

Machine Learning · Statistics 2023-10-25 Matthew Ashman , Tommy Rochussen , Adrian Weller

Current deep neural networks are highly overparameterized (up to billions of connection weights) and nonlinear. Yet they can fit data almost perfectly through variants of gradient descent algorithms and achieve unexpected levels of…

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

Gaussian Processes (GPs) are widely seen as the state-of-the-art surrogate models for Bayesian optimization (BO) due to their ability to model uncertainty and their performance on tasks where correlations are easily captured (such as those…

Machine Learning · Computer Science 2024-12-13 Paul Brunzema , Mikkel Jordahn , John Willes , Sebastian Trimpe , Jasper Snoek , James Harrison

The analysis of neural network training beyond their linearization regime remains an outstanding open question, even in the simplest setup of a single hidden-layer. The limit of infinitely wide networks provides an appealing route forward…

Machine Learning · Computer Science 2020-06-19 Jaume de Dios , Joan Bruna

Modern neural networks tend to be overconfident on unseen, noisy or incorrectly labelled data and do not produce meaningful uncertainty measures. Bayesian deep learning aims to address this shortcoming with variational approximations (such…

Machine Learning · Statistics 2018-05-28 Nick Pawlowski , Andrew Brock , Matthew C. H. Lee , Martin Rajchl , Ben Glocker

Variational Inference (VI) provides a scalable framework for Bayesian inference by optimizing the Evidence Lower Bound (ELBO), but convergence analysis remains challenging due to the objective's non-convexity and non-smoothness in Euclidean…

Machine Learning · Statistics 2025-10-20 Sushil Bohara , Amedeo Roberto Esposito

In scientific applications, predictive modeling is often of limited use without accurate uncertainty quantification (UQ) to indicate when a model may be extrapolating or when more data needs to be collected. Bayesian Neural Networks (BNNs)…

Machine Learning · Computer Science 2025-09-26 Scott Koermer , Natalie Klein

Deep neural networks generalize well despite being exceedingly overparameterized and being trained without explicit regularization. This curious phenomenon has inspired extensive research activity in establishing its statistical principles:…

Machine Learning · Statistics 2021-09-16 Ke Wang , Christos Thrampoulidis
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