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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

Random ordinary differential equations (RODEs), i.e. ODEs with random parameters, are often used to model complex dynamics. Most existing methods to identify unknown governing RODEs from observed data often rely on strong prior knowledge.…

Numerical Analysis · Mathematics 2020-06-04 Junyu Liu , Zichao Long , Ranran Wang , Jie Sun , Bin Dong

In this paper, we show a physics-informed neural network solver for the time-dependent surface PDEs. Unlike the traditional numerical solver, no extension of PDE and mesh on the surface is needed. We show a simplified prior estimate of the…

Machine Learning · Computer Science 2021-03-26 Zhiwei Fang , Justin Zhang , Xiu Yang

Driven by the outstanding performance of neural networks in the structured Euclidean domain, recent years have seen a surge of interest in developing neural networks for graphs and data supported on graphs. The graph is leveraged at each…

Machine Learning · Computer Science 2021-07-28 Elvin Isufi , Fernando Gama , Alejandro Ribeiro

Large Language Models (LLMs) have shown strong potential for tabular data generation by modeling textualized feature-value pairs. However, tabular data inherently exhibits sparse feature-level dependencies, where many feature interactions…

Computation and Language · Computer Science 2025-09-09 Zheyu Zhang , Shuo Yang , Bardh Prenkaj , Gjergji Kasneci

There has been an arising trend of adopting deep learning methods to study partial differential equations (PDEs). In this paper, we introduce a deep recurrent framework for solving time-dependent PDEs without generating large scale data…

Numerical Analysis · Mathematics 2021-04-21 Cheng Chang , Liu Liu , Tieyong Zeng

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social…

Machine Learning · Computer Science 2020-10-12 Emanuele Rossi , Ben Chamberlain , Fabrizio Frasca , Davide Eynard , Federico Monti , Michael Bronstein

Solving partial differential equations (PDEs) serves as a cornerstone for modeling complex dynamical systems. Recent progresses have demonstrated grand benefits of data-driven neural-based models for predicting spatiotemporal dynamics…

Machine Learning · Computer Science 2025-03-04 Bocheng Zeng , Qi Wang , Mengtao Yan , Yang Liu , Ruizhi Chengze , Yi Zhang , Hongsheng Liu , Zidong Wang , Hao Sun

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Deep learning approaches for partial differential equations (PDEs) have received much attention in recent years due to their mesh-freeness and computational efficiency. However, most of the works so far have concentrated on time-dependent…

Machine Learning · Computer Science 2022-09-26 Son N. T. Tu , Thu Nguyen

Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that…

Numerical Analysis · Mathematics 2020-02-26 Kailai Xu , Eric Darve

The concept of the path-dependent partial differential equation (PPDE) was first introduced in the context of path-dependent derivatives in financial markets. Its semilinear form was later identified as a non-Markovian backward stochastic…

Machine Learning · Computer Science 2023-06-05 Bowen Fang , Hao Ni , Yue Wu

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Graph Neural Networks (GNNs) excel at relational reasoning but face two persistent challenges: the lack of interpretable attribution for heterogeneous node types, and the computational overhead of message passing over large, noisy graphs.…

Machine Learning · Computer Science 2026-05-12 Seungwoo Kum

Graph Neural Networks (GNNs) are gaining extensive attention for their application in graph data. However, the black-box nature of GNNs prevents users from understanding and trusting the models, thus hampering their applicability. Whereas…

Machine Learning · Computer Science 2023-05-23 Qizhang Feng , Ninghao Liu , Fan Yang , Ruixiang Tang , Mengnan Du , Xia Hu

Neural Ordinary Differential Equations (ODEs) are elegant reinterpretations of deep networks where continuous time can replace the discrete notion of depth, ODE solvers perform forward propagation, and the adjoint method enables efficient,…

Graph Convolutional Networks (GCNs) are a popular method from graph representation learning that have proved effective for tasks like node classification tasks. Although typical GCN models focus on classifying nodes within a static graph,…

Machine Learning · Computer Science 2021-10-13 Yucai Fan , Yuhang Yao , Carlee Joe-Wong

Modern high-throughput biological datasets with thousands of perturbations provide the opportunity for large-scale discovery of causal graphs that represent the regulatory interactions between genes. Differentiable causal graphical models…

Machine Learning · Computer Science 2025-11-14 Zaikang Lin , Sei Chang , Aaron Zweig , Minseo Kang , Elham Azizi , David A. Knowles

Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…

Machine Learning · Computer Science 2025-04-07 Nikhil Shivakumar Nayak

This paper introduces PDEformer, a neural solver for partial differential equations (PDEs) capable of simultaneously addressing various types of PDEs. We propose to represent the PDE in the form of a computational graph, facilitating the…

Numerical Analysis · Mathematics 2025-01-28 Zhanhong Ye , Xiang Huang , Leheng Chen , Hongsheng Liu , Zidong Wang , Bin Dong