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We develop a novel approach towards causal inference. Rather than structural equations over a causal graph, we learn stochastic differential equations (SDEs) whose stationary densities model a system's behavior under interventions. These…

Machine Learning · Computer Science 2024-03-19 Lars Lorch , Andreas Krause , Bernhard Schölkopf

Diffusion models are powerful generative models in continuous data domains such as image and video data. Discrete graph diffusion models (DGDMs) have recently extended them for graph generation, which are crucial in fields like molecule and…

Cryptography and Security · Computer Science 2025-03-11 Jiawen Wang , Samin Karim , Yuan Hong , Binghui Wang

Spatiotemporal graph represents a crucial data structure where the nodes and edges are embedded in a geometric space and can evolve dynamically over time. Nowadays, spatiotemporal graph data is becoming increasingly popular and important,…

Machine Learning · Computer Science 2022-03-02 Yuanqi Du , Xiaojie Guo , Hengning Cao , Yanfang Ye , Liang Zhao

Preparing training data for deep vision models is a labor-intensive task. To address this, generative models have emerged as an effective solution for generating synthetic data. While current generative models produce image-level category…

Computer Vision and Pattern Recognition · Computer Science 2023-11-14 Quang Nguyen , Truong Vu , Anh Tran , Khoi Nguyen

Neighborhood selection is a widely used method used for estimating the support set of sparse precision matrices, which helps determine the conditional dependence structure in undirected graphical models. However, reporting only point…

Methodology · Statistics 2023-12-29 Yiling Huang , Snigdha Panigrahi , Walter Dempsey

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

Machine Learning · Statistics 2019-05-16 Aditya Grover , Aaron Zweig , Stefano Ermon

We propose a novel class of graph neural networks based on the discretised Beltrami flow, a non-Euclidean diffusion PDE. In our model, node features are supplemented with positional encodings derived from the graph topology and jointly…

Generative Adversarial Networks (GANs) are proficient at generating synthetic data but continue to suffer from mode collapse, where the generator produces a narrow range of outputs that fool the discriminator but fail to capture the full…

Machine Learning · Computer Science 2025-11-03 Mahsa Valizadeh , Rui Tuo , James Caverlee

Graph models are widely used to study diffusion processes in contact networks. Recent data-driven research has highlighted the significance of indirect links, where interactions are possible when two nodes visit the same place at different…

Social and Information Networks · Computer Science 2019-11-12 Md Shahzamal , Raja Jurdak , Bernard Mans , Frank De Hoog , Dean Paini

Transporting between arbitrary distributions is a fundamental goal in generative modeling. Recently proposed diffusion bridge models provide a potential solution, but they rely on a joint distribution that is difficult to obtain in…

Machine Learning · Computer Science 2025-03-03 Jun Hyeong Kim , Seonghwan Kim , Seokhyun Moon , Hyeongwoo Kim , Jeheon Woo , Woo Youn Kim

Graph Neural Networks have achieved impressive results across diverse network modeling tasks, but accurately estimating uncertainty on graphs remains difficult, especially under distributional shifts. Unlike traditional uncertainty…

Machine Learning · Computer Science 2025-10-15 Fred Xu , Thomas Markovich

Discrete graph generation has emerged as a powerful paradigm for modeling graph data, often relying on highly expressive neural backbones such as transformers or higher-order architectures. We revisit this design choice by introducing…

Machine Learning · Computer Science 2026-03-11 Jay Revolinsky , Harry Shomer , Jiliang Tang

Probabilistic graphical models (PGMs) are powerful tools for representing statistical dependencies through graphs in high-dimensional systems. However, they are limited to pairwise interactions. In this work, we propose the simplicial…

Machine Learning · Statistics 2025-10-16 Lorenzo Marinucci , Gabriele D'Acunto , Paolo Di Lorenzo , Sergio Barbarossa

Controllable molecular graph generation is essential for material and drug discovery, where generated molecules must satisfy diverse property constraints. While recent advances in graph diffusion models have improved generation quality,…

Machine Learning · Computer Science 2025-09-30 Anjie Qiao , Zhen Wang , Chuan Chen , DeFu Lian , Enhong Chen

Directed graphs naturally model systems with asymmetric, ordered relationships, essential to applications in biology, transportation, social networks, and visual understanding. Generating such graphs enables tasks such as simulation, data…

Machine Learning · Computer Science 2026-02-20 Alba Carballo-Castro , Manuel Madeira , Yiming Qin , Dorina Thanou , Pascal Frossard

Stochastic partial differential equations (SPDE) on graphs were introduced by Cerrai and Freidlin [Ann. Inst. Henri Poincar\'e Probab. Stat. 53 (2017) 865-899]. This class of stochastic equations in infinite dimensions provides a minimal…

Probability · Mathematics 2021-01-12 Wai-Tong Louis Fan

The challenges of graph stream algorithms are twofold. First, each edge needs to be processed only once, and second, it needs to work on highly constrained memory. Diffusion degree is a measure of node centrality that can be calculated (for…

Data Structures and Algorithms · Computer Science 2024-02-01 Vinit Ramesh Gore , Suman Kundu , Anggy Eka Pratiwi

Stochastic differential equations (SDEs) provide a natural framework for modelling intrinsic stochasticity inherent in many continuous-time physical processes. When such processes are observed in multiple individuals or experimental units,…

Computation · Statistics 2016-05-19 Gavin A. Whitaker , Andrew Golightly , Richard J. Boys , Chris Sherlock

Graph deep learning has recently emerged as a powerful ML concept allowing to generalize successful deep neural architectures to non-Euclidean structured data. Such methods have shown promising results on a broad spectrum of applications…

Machine Learning · Computer Science 2022-05-16 Anees Kazi , Luca Cosmo , Seyed-Ahmad Ahmadi , Nassir Navab , Michael Bronstein

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey