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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

Graph convolutional networks learn effective node embeddings that have proven to be useful in achieving high-accuracy prediction results in semi-supervised learning tasks, such as node classification. However, these networks suffer from the…

Machine Learning · Computer Science 2020-10-21 Mahsa Mesgaran , A. Ben Hamza

In this work, we propose an end-to-end graph network that learns forward and inverse models of particle-based physics using interpretable inductive biases. Physics-informed neural networks are often engineered to solve specific problems…

Machine Learning · Computer Science 2022-02-01 Sakthi Kumar Arul Prakash , Conrad Tucker

Graph Neural Networks (GNNs) have achieved tremendous success in a variety of real-world applications by relying on the fixed graph data as input. However, the initial input graph might not be optimal in terms of specific downstream tasks,…

Machine Learning · Computer Science 2023-09-22 Beidi Zhao , Boxin Du , Zhe Xu , Liangyue Li , Hanghang Tong

While numerous approaches have been developed to embed graphs into either Euclidean or hyperbolic spaces, they do not fully utilize the information available in graphs, or lack the flexibility to model intrinsic complex graph geometry. To…

Machine Learning · Computer Science 2020-10-26 Shichao Zhu , Shirui Pan , Chuan Zhou , Jia Wu , Yanan Cao , Bin Wang

In this paper we present a deep learning method to predict the temporal evolution of dissipative dynamic systems. We propose using both geometric and thermodynamic inductive biases to improve accuracy and generalization of the resulting…

Machine Learning · Computer Science 2022-06-07 Quercus Hernández , Alberto Badías , Francisco Chinesta , Elías Cueto

Neural networks are vulnerable to input perturbations such as additive noise and adversarial attacks. In contrast, human perception is much more robust to such perturbations. The Bayesian brain hypothesis states that human brains use an…

Machine Learning · Computer Science 2020-11-11 Yujia Huang , James Gornet , Sihui Dai , Zhiding Yu , Tan Nguyen , Doris Y. Tsao , Anima Anandkumar

Deep representation learning on non-Euclidean data types, such as graphs, has gained significant attention in recent years. Invent of graph neural networks has improved the state-of-the-art for both node and the entire graph representation…

Machine Learning · Computer Science 2020-06-09 Sambaran Bandyopadhyay , Manasvi Aggarwal , M. Narasimha Murty

Thermodynamics-informed neural networks employ inductive biases for the enforcement of the first and second principles of thermodynamics. To construct these biases, a metriplectic evolution of the system is assumed. This provides excellent…

Machine Learning · Computer Science 2025-01-22 Alicia Tierz , Iciar Alfaro , David González , Francisco Chinesta , Elías Cueto

Recently there has been increased interest in semi-supervised classification in the presence of graphical information. A new class of learning models has emerged that relies, at its most basic level, on classifying the data after first…

Machine Learning · Computer Science 2022-02-07 Aseem Baranwal , Kimon Fountoulakis , Aukosh Jagannath

In graph signal processing, data samples are associated to vertices on a graph, while edge weights represent similarities between those samples. We propose a convex optimization problem to learn sparse well connected graphs from data. We…

Signal Processing · Electrical Eng. & Systems 2020-04-21 Eduardo Pavez , Antonio Ortega

This paper introduces a min-max optimization formulation for the Graph Signal Denoising (GSD) problem. In this formulation, we first maximize the second term of GSD by introducing perturbations to the graph structure based on Laplacian…

Machine Learning · Computer Science 2024-06-05 Songtao Liu , Jinghui Chen , Tianfan Fu , Lu Lin , Marinka Zitnik , Dinghao Wu

Graph embedding is an important approach for graph analysis tasks such as node classification and link prediction. The goal of graph embedding is to find a low dimensional representation of graph nodes that preserves the graph information.…

Machine Learning · Computer Science 2019-08-27 Mahsa Ghorbani , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

Graph embedding techniques are pivotal in real-world machine learning tasks that operate on graph-structured data, such as social recommendation and protein structure modeling. Embeddings are mostly performed on the node level for learning…

Machine Learning · Computer Science 2022-04-26 Nan Wang , Lu Lin , Jundong Li , Hongning Wang

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

We present a graph-based deep learning framework for predicting the magnetic properties of quasi-one-dimensional Ising spin systems. The lattice geometry is encoded as a graph and processed by a graph neural network (GNN) followed by fully…

Disordered Systems and Neural Networks · Physics 2025-07-24 V. Slavin , O. Kryvchikov , D. Laptev

Graph Neural Networks (GNN) exhibit superior performance in graph representation learning, but their inference cost can be high, due to an aggregation operation that can require a memory fetch for a very large number of nodes. This…

Machine Learning · Computer Science 2025-03-18 Yaochen Hu , Mai Zeng , Ge Zhang , Pavel Rumiantsev , Liheng Ma , Yingxue Zhang , Mark Coates

Dynamic graphs arise in a plethora of practical scenarios such as social networks, communication networks, and financial transaction networks. Given a dynamic graph, it is fundamental and essential to learn a graph representation that is…

Machine Learning · Computer Science 2021-06-15 Menglin Yang , Ziqiao Meng , Irwin King

The space of graphs is often characterised by a non-trivial geometry, which complicates learning and inference in practical applications. A common approach is to use embedding techniques to represent graphs as points in a conventional…

Machine Learning · Statistics 2024-03-26 Daniele Grattarola , Daniele Zambon , Cesare Alippi , Lorenzo Livi

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

Machine Learning · Computer Science 2024-02-16 Guoji Fu , Mohammed Haroon Dupty , Yanfei Dong , Lee Wee Sun