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Graphs are ubiquitous real-world data structures, and generative models that approximate distributions over graphs and derive new samples from them have significant importance. Among the known challenges in graph generation tasks,…

Machine Learning · Computer Science 2019-10-04 Wataru Kawai , Yusuke Mukuta , Tatsuya Harada

Unobserved confounding is a fundamental obstacle to establishing valid causal conclusions from observational data. Two complementary types of approaches have been developed to address this obstacle: obtaining identification using fortuitous…

Methodology · Statistics 2023-06-27 Ilya Shpitser , Zach Wood-Doughty , Eric J. Tchetgen Tchetgen

The inference of novel knowledge, the discovery of hidden patterns, and the uncovering of insights from large amounts of data from a multitude of sources make Data Science (DS) to an art rather than just a mere scientific discipline. The…

Machine Learning · Computer Science 2022-11-29 Salvatore Cuomo , Wolfgang Erb , Gabriele Santin

Standard supervised learning breaks down under data distribution shift. However, the principle of independent causal mechanisms (ICM, Peters et al. (2017)) can turn this weakness into an opportunity: one can take advantage of distribution…

Machine Learning · Computer Science 2021-02-09 Jens Müller , Robert Schmier , Lynton Ardizzone , Carsten Rother , Ullrich Köthe

Recently there has been increased interest in fitting generative graph models to real-world networks. In particular, Bl\"asius et al. have proposed a framework for systematic evaluation of the expressivity of random graph models. We extend…

Social and Information Networks · Computer Science 2024-05-14 Benjamin Dayan , Marc Kaufmann , Ulysse Schaller

Most neural models of causality assume static causal graphs, failing to capture the dynamic and sparse nature of physical interactions where causal relationships emerge and dissolve over time. We introduce the Causal Process Framework and…

Machine Learning · Computer Science 2026-04-07 Turan Orujlu , Christian Gumbsch , Martin V. Butz , Charley M Wu

Many questions in science center around the fundamental problem of understanding causal relationships. However, most constraint-based causal discovery algorithms, including the well-celebrated PC algorithm, often incur an exponential number…

Machine Learning · Computer Science 2024-06-05 Kirankumar Shiragur , Jiaqi Zhang , Caroline Uhler

Effective causal discovery is essential for learning the causal graph from observational data. The linear non-Gaussian acyclic model (LiNGAM) operates under the assumption of a linear data generating process with non-Gaussian noise in…

Machine Learning · Computer Science 2025-02-28 Hans Jarett J. Ong , Brian Godwin S. Lim , Renzo Roel P. Tan , Kazushi Ikeda

Invariant risk minimization (IRM) aims to enable out-of-distribution (OOD) generalization in deep learning by learning invariant representations. As IRM poses an inherently challenging bi-level optimization problem, most existing approaches…

Machine Learning · Computer Science 2025-05-26 Kotaro Yoshida , Konstantinos Slavakis

Graph neural network (GNN) explainers identify the important subgraph that ensures the prediction for a given graph. Until now, almost all GNN explainers are based on association, which is prone to spurious correlations. We propose {\name},…

Machine Learning · Computer Science 2024-07-15 Arman Behnam , Binghui Wang

Empirical risk minimization is the main tool for prediction problems, but its extension to relational data remains unsolved. We solve this problem using recent ideas from graph sampling theory to (i) define an empirical risk for relational…

Machine Learning · Statistics 2019-02-25 Victor Veitch , Morgane Austern , Wenda Zhou , David M. Blei , Peter Orbanz

Many multivariate data such as social and biological data exhibit complex dependencies that are best characterized by graphs. Unlike sequential data, graphs are, in general, unordered structures. This means we can no longer use classic,…

Information Theory · Computer Science 2021-10-05 Mojtaba Abolfazli , Anders Host-Madsen , June Zhang , Andras Bratincsak

Graph Neural Networks (GNNs) have shown remarkable performance on graph-structured data. However, recent empirical studies suggest that GNNs are very susceptible to distribution shift. There is still significant ambiguity about why…

Machine Learning · Computer Science 2023-06-07 Qi Zhu , Yizhu Jiao , Natalia Ponomareva , Jiawei Han , Bryan Perozzi

Causal graphs (CGs) are compact representations of the knowledge of the data generating processes behind the data distributions. When a CG is available, e.g., from the domain knowledge, we can infer the conditional independence (CI)…

Machine Learning · Computer Science 2021-08-18 Takeshi Teshima , Masashi Sugiyama

Causal structure learning from observational data remains a non-trivial task due to various factors such as finite sampling, unobserved confounding factors, and measurement errors. Constraint-based and score-based methods tend to suffer…

Machine Learning · Computer Science 2022-11-09 Rezaur Rashid , Jawad Chowdhury , Gabriel Terejanu

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

Machine Learning · Computer Science 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

Many real-world problems can be represented as graph-based learning problems. In this paper, we propose a novel framework for learning spatial and attentional convolution neural networks on arbitrary graphs. Different from previous…

Machine Learning · Computer Science 2019-02-26 Hao Peng , Jianxin Li , Qiran Gong , Senzhang Wang , Yuanxing Ning , Philip S. Yu

Understanding variable dependence, particularly eliciting their statistical properties given a set of covariates, provides the mathematical foundation in practical operations management such as risk analysis and decision-making given…

Methodology · Statistics 2023-09-06 Yunyun Wang , Tatsushi Oka , Dan Zhu

This paper develops a theory of graph classification under domain shift through a random-graph generative lens, where we consider intra-class graphs sharing the same random graph model (RGM) and the domain shift induced by changes in RGM…

Machine Learning · Computer Science 2026-03-02 Zhang Wan , Tingting Mu , Samuel Kaski

Graph contrastive learning (GCL), learning the node representation by contrasting two augmented graphs in a self-supervised way, has attracted considerable attention. GCL is usually believed to learn the invariant representation. However,…

Machine Learning · Computer Science 2024-03-08 Yanhu Mo , Xiao Wang , Shaohua Fan , Chuan Shi