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Gaussian Process (GP) models are often used as mathematical approximations of computationally expensive experiments. Provided that its kernel is suitably chosen and that enough data is available to obtain a reasonable fit of the simulator,…

机器学习 · 统计学 2011-03-22 Nicolas Durrande , David Ginsbourger , Olivier Roustant

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

无序系统与神经网络 · 物理学 2026-02-23 O. Duranthon , L. Zdeborová

Gaussian process (GP) models provide a powerful tool for prediction but are computationally prohibitive using large data sets. In such scenarios, one has to resort to approximate methods. We derive an approximation based on a composite…

机器学习 · 统计学 2018-02-02 Xiuming Liu , Dave Zachariah , Edith C. H. Ngai

Explainable Artificial Intelligence (or xAI) has become an important research topic in the fields of Machine Learning and Deep Learning. In this paper, we propose a Genetic Programming (GP) based approach, named Genetic Programming…

机器学习 · 计算机科学 2020-05-20 Leonardo Augusto Ferreira , Frederico Gadelha Guimarães , Rodrigo Silva

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…

机器学习 · 统计学 2023-12-14 Tomoharu Iwata , Atsutoshi Kumagai

In recent years, the remarkable success of graph neural networks (GNNs) on graph-structured data has prompted a surge of methods for explaining GNN predictions. However, the state-of-the-art for GNN explainability remains in flux. Different…

机器学习 · 计算机科学 2025-08-05 Jesse He , Akbar Rafiey , Gal Mishne , Yusu Wang

A Gaussian Process (GP) is a prominent mathematical framework for stochastic function approximation in science and engineering applications. This success is largely attributed to the GP's analytical tractability, robustness, non-parametric…

机器学习 · 统计学 2022-05-19 Marcus M. Noack , Harinarayan Krishnan , Mark D. Risser , Kristofer G. Reyes

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

机器学习 · 计算机科学 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

There is a previously identified equivalence between wide fully connected neural networks (FCNs) and Gaussian processes (GPs). This equivalence enables, for instance, test set predictions that would have resulted from a fully Bayesian,…

We present a new method to approximate posterior probabilities of Bayesian Network using Deep Neural Network. Experiment results on several public Bayesian Network datasets shows that Deep Neural Network is capable of learning joint…

机器学习 · 计算机科学 2018-01-12 Jie Jia , Honggang Zhou , Yunchun Li

Inference for GP models with non-Gaussian noises is computationally expensive when dealing with large datasets. Many recent inference methods approximate the posterior distribution with a simpler distribution defined on a small number of…

机器学习 · 计算机科学 2018-09-11 Linfeng Liu , Liping Liu

Graph neural networks (GNNs) have extended the success of deep neural networks (DNNs) to non-Euclidean graph data, achieving ground-breaking performance on various tasks such as node classification and graph property prediction.…

机器学习 · 计算机科学 2021-12-17 Tianfeng Liu , Yangrui Chen , Dan Li , Chuan Wu , Yibo Zhu , Jun He , Yanghua Peng , Hongzheng Chen , Hongzhi Chen , Chuanxiong Guo

Graph Neural Networks (GNNs) have shown satisfying performance in various graph analytical problems. Hence, they have become the \emph{de facto} solution in a variety of decision-making scenarios. However, GNNs could yield biased results…

机器学习 · 计算机科学 2022-06-27 Yushun Dong , Song Wang , Yu Wang , Tyler Derr , Jundong Li

Deep graph learning models have demonstrated remarkable capabilities in processing graph-structured data and have been widely applied across various fields. However, their complex internal architectures and lack of transparency make it…

机器学习 · 计算机科学 2026-01-27 Jinlong Hu , Jiacheng Liu

There has recently been much work on the "wide limit" of neural networks, where Bayesian neural networks (BNNs) are shown to converge to a Gaussian process (GP) as all hidden layers are sent to infinite width. However, these results do not…

机器学习 · 统计学 2020-07-07 Devanshu Agrawal , Theodore Papamarkou , Jacob Hinkle

Training large neural networks is possible by training a smaller hypernetwork that predicts parameters for the large ones. A recently released Graph HyperNetwork (GHN) trained this way on one million smaller ImageNet architectures is able…

计算机视觉与模式识别 · 计算机科学 2022-07-21 Boris Knyazev

This paper presents an approach for constrained Gaussian Process (GP) regression where we assume that a set of linear transformations of the process are bounded. It is motivated by machine learning applications for high-consequence…

机器学习 · 统计学 2019-09-12 Christian Agrell

As deep neural networks (DNNs) become deeper, the training time increases. In this perspective, multi-GPU parallel computing has become a key tool in accelerating the training of DNNs. In this paper, we introduce a novel methodology to…

数值分析 · 数学 2024-07-08 Chang-Ock Lee , Youngkyu Lee , Jongho Park

To enhance the reliability and credibility of graph neural networks (GNNs) and improve the transparency of their decision logic, a new field of explainability of GNNs (XGNN) has emerged. However, two major limitations severely degrade the…

机器学习 · 计算机科学 2025-05-26 Han Zhang , Yan Wang , Guanfeng Liu , Pengfei Ding , Huaxiong Wang , Kwok-Yan Lam

This paper presents a probabilistic framework to obtain both reliable and fast uncertainty estimates for predictions with Deep Neural Networks (DNNs). Our main contribution is a practical and principled combination of DNNs with sparse…

机器人学 · 计算机科学 2021-09-22 Jongseok Lee , Jianxiang Feng , Matthias Humt , Marcus G. Müller , Rudolph Triebel