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A longstanding goal in deep learning research has been to precisely characterize training and generalization. However, the often complex loss landscapes of neural networks have made a theory of learning dynamics elusive. In this work, we…

The overparameterization of variational quantum circuits, as a model of Quantum Neural Networks (QNN), not only improves their trainability but also serves as a method for evaluating the property of a given ansatz by investigating their…

Quantum Physics · Physics 2023-05-23 Ali Rad

There is a growing amount of literature on the relationship between wide neural networks (NNs) and Gaussian processes (GPs), identifying an equivalence between the two for a variety of NN architectures. This equivalence enables, for…

Machine Learning · Statistics 2020-06-19 Jiri Hron , Yasaman Bahri , Jascha Sohl-Dickstein , Roman Novak

Ensembles of neural networks (NNs) have long been used to estimate predictive uncertainty; a small number of NNs are trained from different initialisations and sometimes on differing versions of the dataset. The variance of the ensemble's…

Machine Learning · Computer Science 2018-11-30 Tim Pearce , Mohamed Zaki , Andy Neely

Ensembles of independently trained neural networks are a state-of-the-art approach to estimate predictive uncertainty in Deep Learning, and can be interpreted as an approximation of the posterior distribution via a mixture of delta…

Machine Learning · Computer Science 2022-07-11 Aleksei Tiulpin , Matthew B. Blaschko

Little is known about the training dynamics of equivariant neural networks, in particular how it compares to data augmented training of their non-equivariant counterparts. Recently, neural tangent kernels (NTKs) have emerged as a powerful…

Machine Learning · Computer Science 2025-02-03 Philipp Misof , Pan Kessel , Jan E. Gerken

Recent work has shown that the prior over functions induced by a deep Bayesian neural network (BNN) behaves as a Gaussian process (GP) as the width of all layers becomes large. However, many BNN applications are concerned with the BNN…

Machine Learning · Statistics 2020-11-30 Jiri Hron , Yasaman Bahri , Roman Novak , Jeffrey Pennington , Jascha Sohl-Dickstein

The Neural Tangent Kernel (NTK) has recently attracted intense study, as it describes the evolution of an over-parameterized Neural Network (NN) trained by gradient descent. However, it is now well-known that gradient descent is not always…

Machine Learning · Computer Science 2021-03-23 Lei Tan , Shutong Wu , Xiaolin Huang

Artificial neural networks have revolutionized machine learning in recent years, but a complete theoretical framework for their learning process is still lacking. Substantial advances were achieved for wide networks, within two disparate…

Machine Learning · Computer Science 2025-05-09 Yehonatan Avidan , Qianyi Li , Haim Sompolinsky

The use of ensembles of neural networks (NNs) for the quantification of predictive uncertainty is widespread. However, the current justification is intuitive rather than analytical. This work proposes one minor modification to the normal…

Machine Learning · Statistics 2018-07-03 Tim Pearce , Nicolas Anastassacos , Mohamed Zaki , Andy Neely

We show that deep ensembles become equivariant for all inputs and at all training times by simply using data augmentation. Crucially, equivariance holds off-manifold and for any architecture in the infinite width limit. The equivariance is…

Machine Learning · Computer Science 2024-06-18 Jan E. Gerken , Pan Kessel

Bayesian neural networks (BNNs) have been long considered an ideal, yet unscalable solution for improving the robustness and the predictive uncertainty of deep neural networks. While they could capture more accurately the posterior…

Computer Vision and Pattern Recognition · Computer Science 2021-03-26 Gianni Franchi , Andrei Bursuc , Emanuel Aldea , Severine Dubuisson , Isabelle Bloch

Neural tangent kernels (NTKs) have been proposed to study the behavior of trained neural networks from the perspective of Gaussian processes. An important result in this body of work is the theorem of equivalence between a trained neural…

Machine Learning · Statistics 2025-01-22 Haoran Liu , Anthony Tai , David J. Crandall , Chunfeng Huang

Neighborhood sampling is an important ingredient in the training of large-scale graph neural networks. It suppresses the exponential growth of the neighborhood size across network layers and maintains feasible memory consumption and time…

Machine Learning · Computer Science 2025-09-30 Zehao Niu , Mihai Anitescu , Jie Chen

We investigate how sparse neural activity affects the generalization performance of a deep Bayesian neural network at the large width limit. To this end, we derive a neural network Gaussian Process (NNGP) kernel with rectified linear unit…

Machine Learning · Computer Science 2023-05-19 Chanwoo Chun , Daniel D. Lee

A natural strategy for continual learning is to weigh a Bayesian ensemble of fixed functions. This suggests that if a (single) neural network could be interpreted as an ensemble, one could design effective algorithms that learn without…

Machine Learning · Computer Science 2025-02-28 Ari S. Benjamin , Christian Pehle , Kyle Daruwalla

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

Deep neural networks (NNs) are powerful black box predictors that have recently achieved impressive performance on a wide spectrum of tasks. Quantifying predictive uncertainty in NNs is a challenging and yet unsolved problem. Bayesian NNs,…

Machine Learning · Statistics 2017-11-07 Balaji Lakshminarayanan , Alexander Pritzel , Charles Blundell

Recent theoretical works based on the neural tangent kernel (NTK) have shed light on the optimization and generalization of over-parameterized networks, and partially bridge the gap between their practical success and classical learning…

Machine Learning · Computer Science 2020-08-10 Kyung-Su Kim , Aurélie C. Lozano , Eunho Yang

A simple, flexible approach to creating expressive priors in Gaussian process (GP) models makes new kernels from a combination of basic kernels, e.g. summing a periodic and linear kernel can capture seasonal variation with a long term…

Machine Learning · Statistics 2019-07-01 Tim Pearce , Russell Tsuchida , Mohamed Zaki , Alexandra Brintrup , Andy Neely