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Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the…

Machine Learning · Computer Science 2025-06-17 Qingfeng Chen , Shiyuan Li , Yixin Liu , Shirui Pan , Geoffrey I. Webb , Shichao Zhang

We propose employing a high-dimensional generalized method of moments (GMM) estimator, regularized for dimension reduction and subsequently debiased to correct for shrinkage bias (referred to as a debiased-regularized estimator), for…

Econometrics · Economics 2025-07-03 Victor Chernozhukov , Chen Huang , Weining Wang

Link prediction is a fundamental task in graph learning, inherently shaped by the topology of the graph. While traditional heuristics are grounded in graph topology, they encounter challenges in generalizing across diverse graphs. Recent…

Machine Learning · Computer Science 2024-06-18 Juzheng Zhang , Lanning Wei , Zhen Xu , Quanming Yao

Graph neural networks (GNNs) excel at predictive tasks on graph-structured data but often lack the ability to incorporate symbolic domain knowledge and perform general reasoning. Relational Bayesian Networks (RBNs), in contrast, enable…

Artificial Intelligence · Computer Science 2025-07-30 Raffaele Pojer , Andrea Passerini , Kim G. Larsen , Manfred Jaeger

This paper presents a novel framework for graded neural networks (GNNs) built over graded vector spaces $\V_\w^n$, extending classical neural architectures by incorporating algebraic grading. Leveraging a coordinate-wise grading structure…

Machine Learning · Computer Science 2026-04-24 Tony Shaska

Deep neural networks (DNNs) have achieved significant success in a variety of real world applications, i.e., image classification. However, tons of parameters in the networks restrict the efficiency of neural networks due to the large model…

Machine Learning · Computer Science 2019-08-21 Yuzhe Ma , Ran Chen , Wei Li , Fanhua Shang , Wenjian Yu , Minsik Cho , Bei Yu

Graph representation learning has been widely studied and demonstrated effectiveness in various graph tasks. Most existing works embed graph data in the Euclidean space, while recent works extend the embedding models to hyperbolic or…

Machine Learning · Computer Science 2023-04-04 Cheng Deng , Fan Xu , Jiaxing Ding , Luoyi Fu , Weinan Zhang , Xinbing Wang

Bayesian neural networks (BNNs) have recently regained a significant amount of attention in the deep learning community due to the development of scalable approximate Bayesian inference techniques. There are several advantages of using a…

Machine Learning · Statistics 2023-05-02 Aliaksandr Hubin , Geir Storvik

Recently developed techniques have made it possible to quickly learn accurate probability density functions from data in low-dimensional continuous space. In particular, mixtures of Gaussians can be fitted to data very quickly using an…

Machine Learning · Computer Science 2013-01-18 Scott Davies , Andrew Moore

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…

Machine Learning · Computer Science 2018-07-05 Marta Garnelo , Jonathan Schwarz , Dan Rosenbaum , Fabio Viola , Danilo J. Rezende , S. M. Ali Eslami , Yee Whye Teh

This work studies the design of neural networks that can process the weights or gradients of other neural networks, which we refer to as neural functional networks (NFNs). Despite a wide range of potential applications, including learned…

Machine Learning · Computer Science 2023-09-27 Allan Zhou , Kaien Yang , Kaylee Burns , Adriano Cardace , Yiding Jiang , Samuel Sokota , J. Zico Kolter , Chelsea Finn

Graph neural networks (GNNs) demonstrate outstanding performance in a broad range of applications. While the majority of GNN applications assume that a graph structure is given, some recent methods substantially expanded the applicability…

A new deep neural network based on the WaveNet architecture (WNN) is presented, which is designed to grasp specific patterns in the NMR spectra. When trained at a fixed non-uniform sampling (NUS) schedule, the WNN benefits from pattern…

Biomolecules · Quantitative Biology 2022-12-05 Amir Jahangiri , Xiao Han , Dmitry Lesovoy , Tatiana Agback , Peter Agback , Adnane Achour , Vladislav Orekhov

Inspired by the success of Convolutional Neural Networks (CNNs) for supervised prediction in images, we design the Deconvolutional Generative Model (DGM), a new probabilistic generative model whose inference calculations correspond to those…

Computer Vision and Pattern Recognition · Computer Science 2019-12-10 Tan Nguyen , Nhat Ho , Ankit Patel , Anima Anandkumar , Michael I. Jordan , Richard G. Baraniuk

Uncertainty estimation is essential for robust decision-making in the presence of ambiguous or out-of-distribution inputs. Gaussian Processes (GPs) are classical kernel-based models that offer principled uncertainty quantification and…

Machine Learning · Statistics 2026-04-30 Albert Saiapin , Kim Batselier

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

The generalization properties of Gaussian processes depend heavily on the choice of kernel, and this choice remains a dark art. We present the Neural Kernel Network (NKN), a flexible family of kernels represented by a neural network. The…

Machine Learning · Computer Science 2018-08-07 Shengyang Sun , Guodong Zhang , Chaoqi Wang , Wenyuan Zeng , Jiaman Li , Roger Grosse

We introduce the Probabilistic Generative Adversarial Network (PGAN), a new GAN variant based on a new kind of objective function. The central idea is to integrate a probabilistic model (a Gaussian Mixture Model, in our case) into the GAN…

Machine Learning · Computer Science 2017-08-08 Hamid Eghbal-zadeh , Gerhard Widmer

Cascade prediction aims at modeling information diffusion in the network. Most previous methods concentrate on mining either structural or sequential features from the network and the propagation path. Recent efforts devoted to combining…

Machine Learning · Computer Science 2021-12-08 Yansong Wang , Xiaomeng Wang , Tao Jia

Deep neural networks (DNNs) are powerful black-box predictors that have achieved impressive performance on a wide variety of tasks. However, their accuracy comes at the cost of intelligibility: it is usually unclear how they make their…

Machine Learning · Computer Science 2021-10-26 Rishabh Agarwal , Levi Melnick , Nicholas Frosst , Xuezhou Zhang , Ben Lengerich , Rich Caruana , Geoffrey Hinton
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