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Deep neural networks and brains both learn and share superficial similarities: processing nodes are likened to neurons and adjustable weights are likened to modifiable synapses. But can a unified theoretical framework be found to underlie…
Deep learning's successes are often attributed to its ability to automatically discover new representations of the data, rather than relying on handcrafted features like other learning methods. We show, however, that deep networks learned…
Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for…
In this paper, we address the challenge of solving large-scale graph-structured nonlinear programs (gsNLPs) in a scalable manner. GsNLPs are problems in which the objective and constraint functions are associated with nodes on a graph and…
Deep learning has been wildly successful in practice and most state-of-the-art machine learning methods are based on neural networks. Lacking, however, is a rigorous mathematical theory that adequately explains the amazing performance of…
Recent advances in equivariant graph neural networks (GNNs) have made deep learning amenable to developing fast surrogate models to expensive ab initio quantum mechanics (QM) approaches for molecular potential predictions. However, building…
A neural network (NN) is a parameterised function that can be tuned via gradient descent to approximate a labelled collection of data with high precision. A Gaussian process (GP), on the other hand, is a probabilistic model that defines a…
We investigate the approximation capabilities of dense neural networks. While universal approximation theorems establish that sufficiently large architectures can approximate arbitrary continuous functions if there are no restrictions on…
In this paper we consider the limiting case of neural networks (NNs) architectures when the number of neurons in each hidden layer and the number of hidden layers tend to infinity thus forming a continuum, and we derive approximation errors…
Neural networks trained on biased datasets tend to inadvertently learn spurious correlations, hindering generalization. We formally prove that (1) samples that exhibit spurious correlations lie on a lower rank manifold relative to the ones…
We study quantum neural networks made by parametric one-qubit gates and fixed two-qubit gates in the limit of infinite width, where the generated function is the expectation value of the sum of single-qubit observables over all the qubits.…
Deep feedforward neural networks (DFNNs) are a powerful tool for functional approximation. We describe flexible versions of generalized linear and generalized linear mixed models incorporating basis functions formed by a DFNN. The…
Modern deep neural networks (DNNs) are extremely powerful; however, this comes at the price of increased depth and having more parameters per layer, making their training and inference more computationally challenging. In an attempt to…
Recent work has established the equivalence between deep neural networks and Gaussian processes (GPs), resulting in so-called neural network Gaussian processes (NNGPs). The behaviour of these models depends on the initialisation of the…
Understanding when neural networks can be learned efficiently is a fundamental question in learning theory. Existing hardness results suggest that assumptions on both the input distribution and the network's weights are necessary for…
Neural Ordinary Differential Equations (NODEs), a framework of continuous-depth neural networks, have been widely applied, showing exceptional efficacy in coping with representative datasets. Recently, an augmented framework has been…
Deep neural networks' remarkable ability to correctly fit training data when optimized by gradient-based algorithms is yet to be fully understood. Recent theoretical results explain the convergence for ReLU networks that are wider than…
Understanding the operation of biological and artificial networks remains a difficult and important challenge. To identify general principles, researchers are increasingly interested in surveying large collections of networks that are…
As a powerful tool for modeling complex relationships, hypergraphs are gaining popularity from the graph learning community. However, commonly used frameworks in deep hypergraph learning focus on hypergraphs with edge-independent vertex…
The wide adoption of Convolutional Neural Networks (CNNs) in applications where decision-making under uncertainty is fundamental, has brought a great deal of attention to the ability of these models to accurately quantify the uncertainty in…