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Graph neural networks are increasingly becoming the go-to approach in various fields such as computer vision, computational biology and chemistry, where data are naturally explained by graphs. However, unlike traditional convolutional…

Machine Learning · Computer Science 2021-10-28 Moshe Eliasof , Eldad Haber , Eran Treister

In this paper, we propose Continuous Graph Flow, a generative continuous flow based method that aims to model complex distributions of graph-structured data. Once learned, the model can be applied to an arbitrary graph, defining a…

Machine Learning · Computer Science 2019-10-01 Zhiwei Deng , Megha Nawhal , Lili Meng , Greg Mori

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

Graphs are a representation of structured data that captures the relationships between sets of objects. With the ubiquity of available network data, there is increasing industrial and academic need to quickly analyze graphs with billions of…

Machine Learning · Computer Science 2023-07-28 Brandon Mayer , Anton Tsitsulin , Hendrik Fichtenberger , Jonathan Halcrow , Bryan Perozzi

With the increasing computation of training graph neural networks (GNNs) on large-scale graphs, graph condensation (GC) has emerged as a promising solution to synthesize a compact, substitute graph of the large-scale original graph for…

Machine Learning · Computer Science 2025-10-09 Xinyi Gao , Yayong Li , Tong Chen , Guanhua Ye , Wentao Zhang , Hongzhi Yin

Accurate and efficient simulations of physical phenomena governed by partial differential equations (PDEs) are important for scientific and engineering progress. While traditional numerical solvers are powerful, they are often…

Machine Learning · Computer Science 2025-11-13 Can Yang , Zhenzhong Wang , Junyuan Liu , Yunpeng Gong , Min Jiang

Semi-supervised semantic segmentation (SSSS) is vital in computational pathology, where dense annotations are costly and limited. Existing methods often rely on pixel-level consistency, which propagates noisy pseudo-labels and produces…

Image and Video Processing · Electrical Eng. & Systems 2025-11-14 Ha-Hieu Pham , Minh Le , Han Huynh , Nguyen Quoc Khanh Le , Huy-Hieu Pham

Traffic forecasting is one of the most popular spatio-temporal tasks in the field of machine learning. A prevalent approach in the field is to combine graph convolutional networks and recurrent neural networks for the spatio-temporal…

Machine Learning · Computer Science 2021-12-08 Jeongwhan Choi , Hwangyong Choi , Jeehyun Hwang , Noseong Park

This research introduces an extended application of neural networks for solving nonlinear partial differential equations (PDEs). A neural network, combined with a pseudo-arclength continuation, is proposed to construct bifurcation diagrams…

Numerical Analysis · Mathematics 2025-07-24 Muhammad Luthfi Shahab , Hadi Susanto

Existing Graph Neural Networks (GNNs) are limited to process graphs each of whose vertices is represented by a vector or a single value, limited their representing capability to describe complex objects. In this paper, we propose the first…

Machine Learning · Computer Science 2024-07-02 Jiongshu Wang , Jing Yang , Jiankang Deng , Hatice Gunes , Siyang Song

We introduce Multivariate Multiscale Graph-based Dispersion Entropy (mvDEG), a novel, computationally efficient method for analyzing multivariate time series data in graph and complex network frameworks, and demonstrate its application in…

Combinatorics · Mathematics 2024-05-02 John Stewart Fabila-Carrasco , Chao Tan , Javier Escudero

We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and…

Chain Event Graphs (CEGs) are a family of event-based graphical models that represent context-specific conditional independences typically exhibited by asymmetric state space problems. The class of continuous time dynamic CEGs (CT-DCEGs)…

Artificial Intelligence · Computer Science 2020-06-30 Aditi Shenvi , Jim Q. Smith

In this paper we propose the use of continuous residual modules for graph kernels in Graph Neural Networks. We show how both discrete and continuous residual layers allow for more robust training, being that continuous residual layers are…

Machine Learning · Computer Science 2019-11-27 Pedro H. C. Avelar , Anderson R. Tavares , Marco Gori , Luis C. Lamb

This paper presents the Tensor Product Network (TPNet), a novel neural architecture for efficient and accurate function approximation and PDE solving. The core of the proposal involves constructing the solution explicitly as a linear…

Machine Learning · Computer Science 2026-05-29 Qihong Yang , Yangtao Deng , Qiaolin He , Shiquan Zhang

Training on large-scale graphs has achieved remarkable results in graph representation learning, but its cost and storage have raised growing concerns. As one of the most promising directions, graph condensation methods address these issues…

Machine Learning · Computer Science 2024-09-30 Tianle Zhang , Yuchen Zhang , Kun Wang , Kai Wang , Beining Yang , Kaipeng Zhang , Wenqi Shao , Ping Liu , Joey Tianyi Zhou , Yang You

This paper proposes a temporal graph neural network model for forecasting of graph-structured irregularly observed time series. Our TGNN4I model is designed to handle both irregular time steps and partial observations of the graph. This is…

Machine Learning · Statistics 2023-02-17 Joel Oskarsson , Per Sidén , Fredrik Lindsten

Since the seminal work of [9] and their Physics-Informed neural networks (PINNs), many efforts have been conducted towards solving partial differential equations (PDEs) with Deep Learning models. However, some challenges remain, for…

Machine Learning · Computer Science 2023-11-27 Marien Chenaud , José Alves , Frédéric Magoulès

Daily internet communication relies heavily on tree-structured graphs, embodied by popular data formats such as XML and JSON. However, many recent generative (probabilistic) models utilize neural networks to learn a probability distribution…

Machine Learning · Computer Science 2024-08-20 Milan Papež , Martin Rektoris , Tomáš Pevný , Václav Šmídl

Numerical solutions of partial differential equations enable a broad range of scientific research. The Dedalus Project is a flexible, open-source, parallelized computational framework for solving general partial differential equations using…

Instrumentation and Methods for Astrophysics · Physics 2020-04-29 Keaton J. Burns , Geoffrey M. Vasil , Jeffrey S. Oishi , Daniel Lecoanet , Benjamin P. Brown