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Deep generative modeling to stochastically design small molecules is an emerging technology for accelerating drug discovery and development. However, one major issue in molecular generative models is their lower frequency of drug-like…

Recently, techniques for applying convolutional neural networks to graph-structured data have emerged. Graph convolutional neural networks (GCNNs) have been used to address node and graph classification and matrix completion. Although the…

Machine Learning · Statistics 2018-11-28 Yingxue Zhang , Soumyasundar Pal , Mark Coates , Deniz Üstebay

The Gaussian graphical model is a widely used tool for learning gene regulatory networks with high-dimensional gene expression data. Most existing methods for Gaussian graphical models assume that the data are homogeneous, i.e., all samples…

Methodology · Statistics 2018-05-08 Bochao Jia , Faming Liang

Deep Gaussian processes (DGPs) are multi-layer hierarchical generalisations of Gaussian processes (GPs) and are formally equivalent to neural networks with multiple, infinitely wide hidden layers. DGPs are nonparametric probabilistic models…

Collaborative Filtering (CF) has emerged as fundamental paradigms for parameterizing users and items into latent representation space, with their correlative patterns from interaction data. Among various CF techniques, the development of…

Information Retrieval · Computer Science 2022-04-29 Lianghao Xia , Chao Huang , Yong Xu , Jiashu Zhao , Dawei Yin , Jimmy Xiangji Huang

Graph neural networks (GNNs) have been broadly studied on dynamic graphs for their representation learning, majority of which focus on graphs with homogeneous structures in the spatial domain. However, many real-world graphs - i.e.,…

Machine Learning · Computer Science 2021-10-27 Yujie Fan , Mingxuan Ju , Chuxu Zhang , Liang Zhao , Yanfang Ye

Graph convolutional networks (GCNs) have been successfully applied in node classification tasks of network mining. However, most of these models based on neighborhood aggregation are usually shallow and lack the "graph pooling" mechanism,…

Social and Information Networks · Computer Science 2019-06-11 Fenyu Hu , Yanqiao Zhu , Shu Wu , Liang Wang , Tieniu Tan

Current psychiatric research is in crisis. In this review I will describe the causes of this crisis and highlight recent efforts to overcome current challenges. One particularly promising approach is the emerging field of computational…

Neurons and Cognition · Quantitative Biology 2013-03-25 Thomas V. Wiecki

This paper introduces a novel approach to embed flow-based models with hierarchical structures. The proposed framework is named Variational Flow Graphical (VFG) Model. VFGs learn the representation of high dimensional data via a…

Machine Learning · Statistics 2022-07-07 Shaogang Ren , Belhal Karimi , Dingcheng Li , Ping Li

Standard linear modeling approaches make potentially simplistic assumptions regarding the structure of categorical effects that may obfuscate more complex relationships governing data. For example, recent work focused on the two-way…

Methodology · Statistics 2019-03-05 Thomas A. Metzger , Christopher T. Franck

In this paper we developed a hierarchical network model, called Hierarchical Prediction Network (HPNet), to understand how spatiotemporal memories might be learned and encoded in the recurrent circuits in the visual cortical hierarchy for…

Neural and Evolutionary Computing · Computer Science 2021-10-04 Jielin Qiu , Ge Huang , Tai Sing Lee

We report a scalable hybrid quantum-classical machine learning framework to build Bayesian networks (BN) that captures the conditional dependence and causal relationships of random variables. The generation of a BN consists of finding a…

Machine Learning · Computer Science 2019-01-31 Radhakrishnan Balu , Ajinkya Borle

Graph convolutional neural networks (GCNN) have been successfully applied to many different graph based learning tasks including node and graph classification, matrix completion, and learning of node embeddings. Despite their impressive…

Machine Learning · Computer Science 2019-10-29 Soumyasundar Pal , Florence Regol , Mark Coates

When characterizing materials, it can be important to not only predict their mechanical properties, but also to estimate the probability distribution of these properties across a set of samples. Constitutive neural networks allow for the…

Computational Engineering, Finance, and Science · Computer Science 2025-03-18 Jeremy A. McCulloch , Ellen Kuhl

Predictive coding graphs (PCGs) are a recently introduced generalization to predictive coding networks, a neuroscience-inspired probabilistic latent variable model. Here, we prove how PCGs define a mathematical superset of feedforward…

Machine Learning · Computer Science 2026-03-09 Björn van Zwol

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos

We propose a novel hierarchical Bayesian approach to Federated Learning (FL), where our model reasonably describes the generative process of clients' local data via hierarchical Bayesian modeling: constituting random variables of local…

Machine Learning · Computer Science 2026-03-03 Minyoung Kim , Timothy Hospedales

We propose Graphical Generative Adversarial Networks (Graphical-GAN) to model structured data. Graphical-GAN conjoins the power of Bayesian networks on compactly representing the dependency structures among random variables and that of…

Machine Learning · Computer Science 2018-12-18 Chongxuan Li , Max Welling , Jun Zhu , Bo Zhang

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

In recent years, graph neural networks (GNNs) have gained significant attention for node classification tasks on graph-structured data. However, traditional GNNs primarily focus on adjacency relationships between nodes, often overlooking…

Machine Learning · Computer Science 2025-11-17 A. Quadir , M. Tanveer
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