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When designing new molecules with particular properties, it is not only important what to make but crucially how to make it. These instructions form a synthesis directed acyclic graph (DAG), describing how a large vocabulary of simple…

Machine Learning · Computer Science 2020-12-22 John Bradshaw , Brooks Paige , Matt J. Kusner , Marwin H. S. Segler , José Miguel Hernández-Lobato

Directed acyclic graphs (DAGs) with hidden variables are often used to characterize causal relations between variables in a system. When some variables are unobserved, DAGs imply a notoriously complicated set of constraints on the…

Machine Learning · Statistics 2023-02-23 Noam Finkelstein , Beata Zjawin , Elie Wolfe , Ilya Shpitser , Robert W. Spekkens

Estimating the structure of directed acyclic graphs (DAGs) of features (variables) plays a vital role in revealing the latent data generation process and providing causal insights in various applications. Although there have been many…

Machine Learning · Computer Science 2024-03-06 Shaohua Fan , Shuyang Zhang , Xiao Wang , Chuan Shi

A directed acyclic graph (DAG) provides valuable prior knowledge that is often discarded in regression tasks in machine learning. We show that the independences arising from the presence of collider structures in DAGs provide meaningful…

Machine Learning · Statistics 2023-06-22 Shahine Bouabid , Jake Fawkes , Dino Sejdinovic

A directed acyclic graph (DAG) is the most common graphical model for representing causal relationships among a set of variables. When restricted to using only observational data, the structure of the ground truth DAG is identifiable only…

Data Structures and Algorithms · Computer Science 2018-09-12 AmirEmad Ghassami , Saber Salehkaleybar , Negar Kiyavash , Kun Zhang

Different graph generalizations have been recently used in an ad-hoc manner to represent multilayer networks, i.e. systems formed by distinct layers where each layer can be seen as a network. Similar constructions have also been used to…

Discrete Mathematics · Computer Science 2016-09-30 Klaus Wehmuth , Éric Fleury , Artur Ziviani

We introduce the Graph Mixture Density Networks, a new family of machine learning models that can fit multimodal output distributions conditioned on graphs of arbitrary topology. By combining ideas from mixture models and graph…

Machine Learning · Computer Science 2021-06-28 Federico Errica , Davide Bacciu , Alessio Micheli

We propose an approach termed ``qDAGx'' for Bayesian covariate-dependent quantile directed acyclic graphs (DAGs) where these DAGs are individualized, in the sense that they depend on individual-specific covariates. The individualized DAG…

Methodology · Statistics 2023-05-24 Ksheera Sagar , Yang Ni , Veerabhadran Baladandayuthapani , Anindya Bhadra

Ordered sequences of univariate or multivariate regressions provide statistical models for analysing data from randomized, possibly sequential interventions, from cohort or multi-wave panel studies, but also from cross-sectional or…

Methodology · Statistics 2015-03-19 Nanny Wermuth , Kayvan Sadeghi

The assumed causal relationships depicted in a DAG are interpreted using a set of rules called D-separation rules. Although these rules can be implemented automatically using standard software, at least a basic understanding of their…

Methodology · Statistics 2025-02-20 Fernando Pires Hartwig , Timothy Feeney , Neil Davies

Acyclic model, often depicted as a directed acyclic graph (DAG), has been widely employed to represent directional causal relations among collected nodes. In this article, we propose an efficient method to learn linear non-Gaussian DAG in…

Machine Learning · Statistics 2021-11-02 Ruixuan Zhao , Xin He , Junhui Wang

This paper considers inference of causal structure in a class of graphical models called "conditional DAGs". These are directed acyclic graph (DAG) models with two kinds of variables, primary and secondary. The secondary variables are used…

Methodology · Statistics 2014-11-12 Chris J. Oates , Jim Q. Smith , Sach Mukherjee

Many numerical methods for evaluating matrix functions can be naturally viewed as computational graphs. Rephrasing these methods as directed acyclic graphs (DAGs) is a particularly effective approach to study existing techniques, improve…

Numerical Analysis · Mathematics 2021-08-20 Elias Jarlebring , Massimiliano Fasi , Emil Ringh

In many applications we have both observational and (randomized) interventional data. We propose a Gaussian likelihood framework for joint modeling of such different data-types, based on global parameters consisting of a directed acyclic…

Statistics Theory · Mathematics 2014-06-03 Alain Hauser , Peter Bühlmann

Covariate adjustment is a widely used approach to estimate total causal effects from observational data. Several graphical criteria have been developed in recent years to identify valid covariates for adjustment from graphical causal…

Statistics Theory · Mathematics 2015-07-07 Emilija Perković , Johannes Textor , Markus Kalisch , Marloes H. Maathuis

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

Maximal Ancestral Graphs (MAGs) provide an abstract representation of Directed Acyclic Graphs (DAGs) with latent (selection) variables. These graphical objects encode information about ancestral relations and d-separations of the DAGs they…

Discrete Mathematics · Computer Science 2025-09-25 Binghua Yao , Joris M. Mooij

We describe a simple algorithm based on a Markov chain process to generate simply connected acyclic directed graphs over a fixed set of vertices. This algorithm is an extension of a previous one, designed to generate acyclic digraphs, non…

Discrete Mathematics · Computer Science 2007-05-23 Guy Melancon , Fabrice Philippe

Causal discovery aims to recover graphs that represent causal relations among given variables from observations, and new methods are constantly being proposed. Increasingly, the community raises questions about how much progress is made,…

Machine Learning · Computer Science 2025-10-30 Zhufeng Li , Niki Kilbertus

Due to its human-interpretability and invariance properties, Directed Acyclic Graph (DAG) has been a foundational tool across various areas of AI research, leading to significant advancements. However, DAG learning remains highly…

Machine Learning · Computer Science 2025-06-24 Naiyu Yin , Tian Gao , Yue Yu
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