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Synthetic tabular data generation addresses data scarcity and privacy constraints in a variety of domains. Tabular Prior-Data Fitted Network (TabPFN), a recent foundation model for tabular data, has been shown capable of generating…

Machine Learning · Computer Science 2026-03-12 Davide Tugnoli , Andrea De Lorenzo , Marco Virgolin , Giovanni Cinà

Graph generation is a critical task across scientific domains. Existing methods fall broadly into two categories: autoregressive models, which iteratively expand graphs, and one-shot models, such as diffusion, which generate the full graph…

Machine Learning · Computer Science 2025-12-02 Nagham Osman , Keyue Jiang , Davide Buffelli , Xiaowen Dong , Laura Toni

We present a graphical approach to deriving inequality constraints for directed acyclic graph (DAG) models, where some variables are unobserved. In particular we show that the observed distribution of a discrete model is always restricted…

Statistics Theory · Mathematics 2012-09-14 Robin J. Evans

Autoregressive models are predominant in natural language generation, while their application in tabular data remains underexplored. We posit that this can be attributed to two factors: 1) tabular data contains heterogeneous data type,…

Machine Learning · Computer Science 2024-10-30 Hengrui Zhang , Liancheng Fang , Qitian Wu , Philip S. Yu

To date, most directed acyclic graphs (DAGs) structure learning approaches require data to be stored in a central server. However, due to the consideration of privacy protection, data owners gradually refuse to share their personalized raw…

Machine Learning · Computer Science 2023-01-18 Erdun Gao , Junjia Chen , Li Shen , Tongliang Liu , Mingming Gong , Howard Bondell

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

We develop a novel convolutional architecture tailored for learning from data defined over directed acyclic graphs (DAGs). DAGs can be used to model causal relationships among variables, but their nilpotent adjacency matrices pose unique…

Machine Learning · Computer Science 2024-05-07 Samuel Rey , Hamed Ajorlou , Gonzalo Mateos

Designing mechanical linkages to achieve target end-effector trajectories presents a fundamental challenge due to the intricate coupling between continuous node placements, discrete topological configurations, and nonlinear kinematic…

Machine Learning · Computer Science 2026-01-08 Yayati Jadhav , Amir Barati Farimani

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

Molecular graph generation is a fundamental problem for drug discovery and has been attracting growing attention. The problem is challenging since it requires not only generating chemically valid molecular structures but also optimizing…

Machine Learning · Computer Science 2020-02-28 Chence Shi , Minkai Xu , Zhaocheng Zhu , Weinan Zhang , Ming Zhang , Jian Tang

We develop a general methodological framework for probabilistic inference in discrete- and continuous-time stochastic processes evolving on directed acyclic graphs (DAGs). The process is observed only at the leaf nodes, and the challenge is…

Methodology · Statistics 2025-05-27 Frank van der Meulen , Moritz Schauer , Stefan Sommer

De novo molecular generation from tandem mass spectra is a challenging inverse problem whose core difficulty lies in the circular dependency between atom-level and bond-level reasoning: determining a bond's type requires knowing its…

Machine Learning · Computer Science 2026-05-11 Xujun Che , Xiuxia Du , Depeng Xu

Causal discovery aims to uncover causal structure among a set of variables. Score-based approaches mainly focus on searching for the best Directed Acyclic Graph (DAG) based on a predefined score function. However, most of them are not…

Machine Learning · Computer Science 2023-03-13 Wenqian Li , Yinchuan Li , Shengyu Zhu , Yunfeng Shao , Jianye Hao , Yan Pang

Diffusion models have made significant contributions to computer vision, sparking a growing interest in the community recently regarding the application of them to graph generation. Existing discrete graph diffusion models exhibit…

Machine Learning · Computer Science 2024-05-07 Xingcheng Fu , Yisen Gao , Yuecen Wei , Qingyun Sun , Hao Peng , Jianxin Li , Xianxian Li

Bayesian causal discovery offers the power to quantify epistemic uncertainties among a broad range of structurally diverse causal theories potentially explaining the data, represented in forms of directed acyclic graphs (DAGs). However,…

Machine Learning · Computer Science 2024-08-30 Nu Hoang , Bao Duong , Thin Nguyen

We introduce a framework for joint grounded scene graph - image generation, a challenging task involving high-dimensional, multi-modal structured data. To effectively model this complex joint distribution, we adopt a factorized approach:…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Bicheng Xu , Qi Yan , Renjie Liao , Lele Wang , Leonid Sigal

We present a novel perspective and algorithm for learning directed acyclic graphs (DAGs) from data generated by a linear structural equation model (SEM). First, we show that a linear SEM can be viewed as a linear transform that, in prior…

Machine Learning · Computer Science 2024-06-21 Panagiotis Misiakos , Chris Wendler , Markus Püschel

The feed-forward relationship naturally observed in time-dependent processes and in a diverse number of real systems -such as some food-webs and electronic and neural wiring- can be described in terms of so-called directed acyclic graphs…

Physics and Society · Physics 2015-05-19 Joaquín Goñi , Bernat Corominas-Murtra , Ricard V. Solé , Carlos Rodríguez-Caso

Graph generation is a critical yet challenging task, as empirical analyses require a deep understanding of complex, non-Euclidean structures. Diffusion models have recently made significant advances in graph generation, but these models are…

Machine Learning · Computer Science 2026-03-13 Yiming Huang , Tolga Birdal

Directed acyclic graph (DAG) has been widely employed to represent directional relationships among a set of collected nodes. Yet, the available data in one single study is often limited for accurate DAG reconstruction, whereas heterogeneous…

Machine Learning · Statistics 2023-10-17 Mingyang Ren , Xin He , Junhui Wang