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Rationale discovery is defined as finding a subset of the input data that maximally supports the prediction of downstream tasks. In the context of graph machine learning, graph rationale is defined to locate the critical subgraph in the…

Machine Learning · Computer Science 2025-01-28 Zhe Xu , Menghai Pan , Yuzhong Chen , Huiyuan Chen , Yuchen Yan , Mahashweta Das , Hanghang Tong

Generating novel molecules with optimal properties is a crucial step in many industries such as drug discovery. Recently, deep generative models have shown a promising way of performing de-novo molecular design. Although graph generative…

Machine Learning · Computer Science 2018-11-27 Rim Assouel , Mohamed Ahmed , Marwin H Segler , Amir Saffari , Yoshua Bengio

Consider a social network where only a few nodes (agents) have meaningful interactions in the sense that the conditional dependency graph over node attribute variables (behaviors) is sparse. A company that can only observe the interactions…

Machine Learning · Computer Science 2017-11-16 Tianpei Xie , Sijia Liu , Alfred O. Hero

In a traditional Gaussian graphical model, data homogeneity is routinely assumed with no extra variables affecting the conditional independence. In modern genomic datasets, there is an abundance of auxiliary information, which often gets…

Methodology · Statistics 2023-08-16 Yabo Niu , Yang Ni , Debdeep Pati , Bani K. Mallick

We demonstrate how to generalize two of the most well-known random graph models, the classic random graph, and random graphs with a given degree distribution, by the introduction of hidden variables in the form of extra degrees of freedom,…

Soft Condensed Matter · Physics 2007-05-23 Bo Soderberg

We introduce a novel class of graphical models, termed profile graphical models, that represent, within a single graph, how an external factor influences the dependence structure of a multivariate set of variables. This class is quite…

Methodology · Statistics 2026-03-31 Alejandra Avalos-Pacheco , Monia Lupparelli , Francesco C. Stingo

We enumerate factorisations of the complete bipartite graph into spanning semiregular graphs in several cases, including when the degrees of all the factors except one or two are small. The resulting asymptotic behaviour is seen to…

Combinatorics · Mathematics 2022-12-21 Mahdieh Hasheminezhad , Brendan D. McKay

We consider the normalized Laplace operator for directed graphs with positive and negative edge weights. This generalization of the normalized Laplace operator for undirected graphs is used to characterize directed acyclic graphs. Moreover,…

Combinatorics · Mathematics 2012-02-01 Frank Bauer

We consider the problem of constructing nonparametric undirected graphical models for high-dimensional functional data. Most existing statistical methods in this context assume either a Gaussian distribution on the vertices or linear…

Statistics Theory · Mathematics 2021-03-22 Eftychia Solea , Holger Dette

Gaussian process regression is a popular method for non-parametric probabilistic modeling of functions. The Gaussian process prior is characterized by so-called hyperparameters, which often have a large influence on the posterior model and…

Machine Learning · Statistics 2016-11-18 Andreas Svensson , Johan Dahlin , Thomas B. Schön

We use the Graph Minor Theorem to characterize infinite sequences of finite subsets of factorial and commutative semigroups (here semigroups have a unity element), e.g. the multiplicative semigroup of a unique factorization domain.

Number Theory · Mathematics 2009-05-18 Tobias Ahsendorf

The dual normal factor graph and the factor graph duality theorem have been considered for discrete graphical models. In this paper, we show an application of the factor graph duality theorem to continuous graphical models. Specifically, we…

Methodology · Statistics 2021-11-04 Mehdi Molkaraie

This paper studies causal inference with observational data from a single large network. We consider a nonparametric model with interference in both potential outcomes and selection into treatment. Specifically, both stages may be the…

Econometrics · Economics 2025-12-30 Michael P. Leung , Pantelis Loupos

We develop a necessary and sufficient causal identification criterion for maximally oriented partially directed acyclic graphs (MPDAGs). MPDAGs as a class of graphs include directed acyclic graphs (DAGs), completed partially directed…

Statistics Theory · Mathematics 2025-07-23 Emilija Perković

In this paper, we study semi-supervised graph classification, which aims at accurately predicting the categories of graphs in scenarios with limited labeled graphs and abundant unlabeled graphs. Despite the promising capability of graph…

Machine Learning · Computer Science 2024-05-29 Wei Ju , Zhengyang Mao , Siyu Yi , Yifang Qin , Yiyang Gu , Zhiping Xiao , Yifan Wang , Xiao Luo , Ming Zhang

We consider a family of problems that are concerned about making predictions for the majority of unlabeled, graph-structured data samples based on a small proportion of labeled samples. Relational information among the data samples, often…

Machine Learning · Computer Science 2019-11-05 Jiaqi Ma , Weijing Tang , Ji Zhu , Qiaozhu Mei

Probabilistic inference in graphical models is the task of computing marginal and conditional densities of interest from a factorized representation of a joint probability distribution. Inference algorithms such as variable elimination and…

Machine Learning · Computer Science 2012-02-20 Ilya Shpitser , Thomas S. Richardson , James M. Robins

Despite major methodological developments, Bayesian inference for Gaussian graphical models remains challenging in high dimension due to the tremendous size of the model space. This article proposes a method to infer the marginal and…

Methodology · Statistics 2018-04-10 Gwenaël G. R. Leday , Sylvia Richardson

Graphical Gaussian models have proven to be useful tools for exploring network structures based on multivariate data. Applications to studies of gene expression have generated substantial interest in these models, and resulting recent…

Machine Learning · Computer Science 2014-08-12 Michael A. Finegold , Mathias Drton

Probabilistic independence can dramatically simplify the task of eliciting, representing, and computing with probabilities in large domains. A key technique in achieving these benefits is the idea of graphical modeling. We survey existing…

Artificial Intelligence · Computer Science 2013-02-21 Fahiem Bacchus , Adam J. Grove