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We present a Graph Neural Network (GNN) that accurately simulates a multidisperse suspension of interacting spherical particles. Our machine learning framework is built upon the recent work of Sanchez-Gonzalez et al. ICML, PMLR, 119,…

计算物理 · 物理学 2025-02-20 Aref Hashemi , Aliakbar Izadkhah

Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary shapes, mesh topologies, and material parameters, existing…

机器学习 · 计算机科学 2026-04-30 Jiahong Wang , Logan Numerow , Stelian Coros , Christian Theobalt , Vahid Babaei , Bernhard Thomaszewski

Graph neural networks (GNNs) are widely used in domains like social networks and biological systems. However, the locality assumption of GNNs, which limits information exchange to neighboring nodes, hampers their ability to capture…

机器学习 · 计算机科学 2023-07-04 Tingting Dan , Jiaqi Ding , Ziquan Wei , Shahar Z Kovalsky , Minjeong Kim , Won Hwa Kim , Guorong Wu

Graphs are ubiquitous in many applications, such as social networks, knowledge graphs, smart grids, etc.. Graph neural networks (GNN) are the current state-of-the-art for these applications, and yet remain obscure to humans. Explaining the…

机器学习 · 计算机科学 2021-11-22 Yazheng Liu , Xi Zhang , Sihong Xie

This paper investigates the feasibility of using Graph Neural Networks (GNNs) for classical motion planning problems. We propose guiding both continuous and discrete planning algorithms using GNNs' ability to robustly encode the topology of…

机器人学 · 计算机科学 2020-12-15 Arbaaz Khan , Alejandro Ribeiro , Vijay Kumar , Anthony G. Francis

Graph neural networks (GNNs) have shown promising results across various graph learning tasks, but they often assume homophily, which can result in poor performance on heterophilic graphs. The connected nodes are likely to be from different…

机器学习 · 计算机科学 2023-05-31 Kai Zhao , Qiyu Kang , Yang Song , Rui She , Sijie Wang , Wee Peng Tay

Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the…

材料科学 · 物理学 2023-05-24 Nicolas Bertin , Fei Zhou

Node representation learning by using Graph Neural Networks (GNNs) has been widely explored. However, in recent years, compelling evidence has revealed that GNN-based node representation learning can be substantially deteriorated by…

机器学习 · 计算机科学 2023-12-19 Jun Zhuang , Mohammad Al Hasan

Graph processes exhibit a temporal structure determined by the sequence index and and a spatial structure determined by the graph support. To learn from graph processes, an information processing architecture must then be able to exploit…

信号处理 · 电气工程与系统科学 2020-12-02 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

Real-world graphs, such as social networks, financial transactions, and recommendation systems, often demonstrate dynamic behavior. This phenomenon, known as graph stream, involves the dynamic changes of nodes and the emergence and…

机器学习 · 计算机科学 2023-05-16 Yanping Zheng , Zhewei Wei , Jiajun Liu

We propose numerical schemes for the approximate solution of problems defined on the edges of a one-dimensional graph. In particular, we consider linear transport and a drift-diffusion equations, and discretize them by extending Finite…

数值分析 · 数学 2024-11-01 Beatrice Crippa , Anna Scotti , Andrea Villa

Being the most cutting-edge generative methods, diffusion methods have shown great advances in wide generation tasks. Among them, graph generation attracts significant research attention for its broad application in real life. In our…

机器学习 · 计算机科学 2024-07-17 Hongyang Chen , Can Xu , Lingyu Zheng , Qiang Zhang , Xuemin Lin

Graph Neural Networks (GNNs) have shown promising results in modeling graphs in various tasks. The training of GNNs, especially on specialized tasks such as bioinformatics, demands extensive expert annotations, which are expensive and…

机器学习 · 计算机科学 2025-05-27 Minhua Lin , Enyan Dai , Junjie Xu , Jinyuan Jia , Xiang Zhang , Suhang Wang

Graphs are a highly expressive abstraction for modeling entities and their relations, such as molecular structures, social networks, and traffic networks. Deep Graph Networks (DGNs) have emerged as a family of deep learning models that can…

机器学习 · 计算机科学 2024-10-16 Alessio Gravina

This work develops a distributed graph neural network (GNN) methodology for mesh-based modeling applications using a consistent neural message passing layer. As the name implies, the focus is on enabling scalable operations that satisfy…

分布式、并行与集群计算 · 计算机科学 2024-10-03 Shivam Barwey , Riccardo Balin , Bethany Lusch , Saumil Patel , Ramesh Balakrishnan , Pinaki Pal , Romit Maulik , Venkatram Vishwanath

Continuous graph neural networks (CGNNs) have garnered significant attention due to their ability to generalize existing discrete graph neural networks (GNNs) by introducing continuous dynamics. They typically draw inspiration from…

神经与进化计算 · 计算机科学 2025-07-15 Nan Yin , Mengzhu Wan , Li Shen , Hitesh Laxmichand Patel , Baopu Li , Bin Gu , Huan Xiong

This work presents a new algorithm for training recurrent neural networks (although ideas are applicable to feedforward networks as well). The algorithm is derived from a theory in nonconvex optimization related to the diffusion equation.…

机器学习 · 计算机科学 2016-02-08 Hossein Mobahi

We address the efficiency issue for the construction of a deep graph neural network (GNN). The approach exploits the idea of representing each input graph as a fixed point of a dynamical system (implemented through a recurrent neural…

机器学习 · 计算机科学 2019-11-21 Claudio Gallicchio , Alessio Micheli

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…

机器学习 · 计算机科学 2019-10-01 Zhiwei Deng , Megha Nawhal , Lili Meng , Greg Mori

Diffusion-based graph generative models have recently obtained promising results for graph generation. However, existing diffusion-based graph generative models are mostly one-shot generative models that apply Gaussian diffusion in the…

人工智能 · 计算机科学 2023-07-19 Lingkai Kong , Jiaming Cui , Haotian Sun , Yuchen Zhuang , B. Aditya Prakash , Chao Zhang