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Graph Neural Networks (GNNs) have become the de facto standard for learning on relational data. While traditional GNNs' message passing is well suited for vector-valued node features, there are cases in which node features are better…

Machine Learning · Computer Science 2026-05-21 André Ribeiro , Ana Luiza Tenório , Tiago da Silva , Diego Mesquita

Incorporating neural networks for the solution of Ordinary Differential Equations (ODEs) represents a pivotal research direction within computational mathematics. Within neural network architectures, the integration of the intrinsic…

Dynamical Systems · Mathematics 2024-01-10 Shanshan Xiao , Jiawei Zhang , Yifa Tang

Generalized linear models (GLMs) arguably represent the standard approach for statistical regression beyond the Gaussian likelihood scenario. When Bayesian formulations are employed, the general absence of a tractable posterior distribution…

Computation · Statistics 2024-07-03 Niccolò Anceschi , Augusto Fasano , Beatrice Franzolini , Giovanni Rebaudo

Graph convolutional neural networks (GCNN) have numerous applications in different graph based learning tasks. Although the techniques obtain impressive results, they often fall short in accounting for the uncertainty associated with the…

Machine Learning · Computer Science 2019-11-13 Soumyasundar Pal , Florence Regol , Mark Coates

Bayesian neural networks (BNN) and deep ensembles are principled approaches to estimate the predictive uncertainty of a deep learning model. However their practicality in real-time, industrial-scale applications are limited due to their…

Machine Learning · Computer Science 2020-10-27 Jeremiah Zhe Liu , Zi Lin , Shreyas Padhy , Dustin Tran , Tania Bedrax-Weiss , Balaji Lakshminarayanan

We propose an Gaussian Mixture Model (GMM) learning algorithm, based on our previous work of GMM expansion idea. The new algorithm brings more robustness and simplicity than classic Expectation Maximization (EM) algorithm. It also improves…

Machine Learning · Computer Science 2023-09-07 Weiguo Lu , Xuan Wu , Deng Ding , Gangnan Yuan

Recent efforts to accelerate LLM pretraining have focused on computationally-efficient approximations that exploit second-order structure. This raises a key question for large-scale training: how much performance is forfeited by these…

Machine Learning · Computer Science 2026-04-21 Natalie Abreu , Nikhil Vyas , Sham Kakade , Depen Morwani

In this paper, a Gauss-Newton Temporal Difference (GNTD) learning method is proposed to solve the Q-learning problem with nonlinear function approximation. In each iteration, our method takes one Gauss-Newton (GN) step to optimize a variant…

Optimization and Control · Mathematics 2024-04-02 Zhifa Ke , Junyu Zhang , Zaiwen Wen

Gaussian multiplicative noise is commonly used as a stochastic regularisation technique in training of deterministic neural networks. A recent paper reinterpreted the technique as a specific algorithm for approximate inference in Bayesian…

Machine Learning · Statistics 2017-11-09 Jiri Hron , Alexander G. de G. Matthews , Zoubin Ghahramani

Bayesian optimization is an effective methodology for the global optimization of functions with expensive evaluations. It relies on querying a distribution over functions defined by a relatively cheap surrogate model. An accurate model for…

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

In this paper, we develop a variant of the well-known Gauss-Newton (GN) method to solve a class of nonconvex optimization problems involving low-rank matrix variables. As opposed to the standard GN method, our algorithm allows one to handle…

Optimization and Control · Mathematics 2020-10-27 Quoc Tran-Dinh

We present a novel method of stacking decision trees by projection into an ordered time split out-of-fold (OOF) one nearest neighbor (1NN) space. The predictions of these one nearest neighbors are combined through a linear model. This…

Machine Learning · Computer Science 2021-03-31 Michael Kim

Bayesian neural networks (BNNs) provide a formalism to quantify and calibrate uncertainty in deep learning. Current inference approaches for BNNs often resort to few-sample estimation for scalability, which can harm predictive performance,…

Machine Learning · Computer Science 2024-02-14 Zhe Zeng , Guy Van den Broeck

Gradient-based meta-learning (GBML) with deep neural nets (DNNs) has become a popular approach for few-shot learning. However, due to the non-convexity of DNNs and the bi-level optimization in GBML, the theoretical properties of GBML with…

Machine Learning · Computer Science 2020-11-17 Haoxiang Wang , Ruoyu Sun , Bo Li

Technological advances have led to a proliferation of structured big data that have matrix-valued covariates. We are specifically motivated to build predictive models for multi-subject neuroimaging data based on each subject's brain imaging…

Methodology · Statistics 2015-05-15 Yue Hu , Genevera I. Allen

Gaussian graphical models (GGMs) are widely used for statistical modeling, because of ease of inference and the ubiquitous use of the normal distribution in practical approximations. However, they are also known for their limited modeling…

Machine Learning · Statistics 2016-11-22 Qinliang Su , Xuejun Liao , Chunyuan Li , Zhe Gan , Lawrence Carin

This paper introduces the Univariate Gaussian Mixture Model Neural Network (uGMM-NN), a novel neural architecture that embeds probabilistic reasoning directly into the computational units of deep networks. Unlike traditional neurons, which…

Machine Learning · Computer Science 2026-01-05 Zakeria Sharif Ali

Networks are ubiquitous in the real world. Link prediction, as one of the key problems for network-structured data, aims to predict whether there exists a link between two nodes. The traditional approaches are based on the explicit…

Machine Learning · Computer Science 2021-06-01 Wei Wu , Bin Li , Chuan Luo , Wolfgang Nejdl

Selecting informative nodes over large-scale networks becomes increasingly important in many research areas. Most existing methods focus on the local network structure and incur heavy computational costs for the large-scale problem. In this…

Methodology · Statistics 2018-10-02 Qingpo Cai , Jian Kang , Tianwei Yu