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Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

机器学习 · 计算机科学 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Partial differential equations (PDEs) are indispensable for modeling many physical phenomena and also commonly used for solving image processing tasks. In the latter area, PDE-based approaches interpret image data as discretizations of…

机器学习 · 计算机科学 2018-12-12 Lars Ruthotto , Eldad Haber

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

机器学习 · 计算机科学 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

We present Mechanistic PDE Networks -- a model for discovery of governing partial differential equations from data. Mechanistic PDE Networks represent spatiotemporal data as space-time dependent linear partial differential equations in…

机器学习 · 计算机科学 2025-06-12 Adeel Pervez , Efstratios Gavves , Francesco Locatello

A fundamental challenge in understanding graph neural networks (GNNs) lies in characterizing their optimization dynamics and loss landscape geometry, critical for improving interpretability and robustness. While mode connectivity, a lens…

机器学习 · 计算机科学 2025-02-19 Bingheng Li , Zhikai Chen , Haoyu Han , Shenglai Zeng , Jingzhe Liu , Jiliang Tang

In recent years, Graph Neural Networks (GNNs) have been utilized for various applications ranging from drug discovery to network design and social networks. In many applications, it is impossible to observe some properties of the graph…

机器学习 · 计算机科学 2025-03-12 Moshe Eliasof , Md Shahriar Rahim Siddiqui , Carola-Bibiane Schönlieb , Eldad Haber

The last few years have seen an increasing wave of attacks with serious economic and privacy damages, which evinces the need for accurate Network Intrusion Detection Systems (NIDS). Recent works propose the use of Machine Learning (ML)…

密码学与安全 · 计算机科学 2021-08-02 David Pujol-Perich , José Suárez-Varela , Albert Cabellos-Aparicio , Pere Barlet-Ros

Graph neural networks (GNNs) have recently emerged as a promising learning paradigm in learning graph-structured data and have demonstrated wide success across various domains such as recommendation systems, social networks, and electronic…

机器学习 · 计算机科学 2023-04-25 Ruixuan Wang , Fred Lin , Daniel Moore , Sriram Sankar , Xun Jiao

Physics Informed Neural Networks is a numerical method which uses neural networks to approximate solutions of partial differential equations. It has received a lot of attention and is currently used in numerous physical and engineering…

数值分析 · 数学 2025-07-10 Dimitrios Gazoulis , Ioannis Gkanis , Charalambos G. Makridakis

Simulation of the dynamics of physical systems is essential to the development of both science and engineering. Recently there is an increasing interest in learning to simulate the dynamics of physical systems using neural networks.…

机器学习 · 计算机科学 2022-01-31 Ce Yang , Weihao Gao , Di Wu , Chong Wang

Recently, machine learning, particularly message-passing graph neural networks (MPNNs), has gained traction in enhancing exact optimization algorithms. For example, MPNNs speed up solving mixed-integer optimization problems by imitating…

机器学习 · 计算机科学 2023-10-17 Chendi Qian , Didier Chételat , Christopher Morris

Graph Neural Networks (GNNs) are the first choice methods for graph machine learning problems thanks to their ability to learn state-of-the-art level representations from graph-structured data. However, centralizing a massive amount of…

机器学习 · 计算机科学 2021-06-08 Chaoyang He , Emir Ceyani , Keshav Balasubramanian , Murali Annavaram , Salman Avestimehr

Graph neural networks (GNNs) are popular to use for classifying structured data in the context of machine learning. But surprisingly, they are rarely applied to regression problems. In this work, we adopt GNN for a classic but challenging…

机器学习 · 计算机科学 2021-02-16 Wenzhong Yan , Di Jin , Zhidi Lin , Feng Yin

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

机器学习 · 计算机科学 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph convolutional neural networks (GCNNs) have emerged as powerful tools for analyzing graph-structured data, achieving remarkable success across diverse applications. However, the theoretical understanding of the stability of these…

机器学习 · 计算机科学 2025-10-28 Ning Zhang , Henry Kenlay , Li Zhang , Mihai Cucuringu , Xiaowen Dong

Spectral Graph Neural Networks (GNNs) have achieved tremendous success in graph machine learning, with polynomial filters applied for graph convolutions, where all nodes share the identical filter weights to mine their local contexts.…

机器学习 · 计算机科学 2024-05-24 Jingwei Guo , Kaizhu Huang , Xinping Yi , Rui Zhang

Graph-structured data are pervasive across domains including social networks, biological networks, and knowledge graphs. Due to their non-Euclidean nature, such data pose significant challenges to conventional machine learning methods. This…

机器学习 · 计算机科学 2025-07-29 Yihan Wang , Jianing Zhao

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

机器学习 · 计算机科学 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Graph Neural Networks (GNNs) are widely applied to graph learning problems such as node classification. When scaling up the underlying graphs of GNNs to a larger size, we are forced to either train on the complete graph and keep the full…

机器学习 · 计算机科学 2024-06-25 Mucong Ding , Tahseen Rabbani , Bang An , Evan Z Wang , Furong Huang

Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the…

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