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Over the last few years, we have witnessed the availability of an increasing data generated from non-Euclidean domains, which are usually represented as graphs with complex relationships, and Graph Neural Networks (GNN) have gained a high…

机器学习 · 计算机科学 2023-08-15 Andrea Apicella , Francesco Isgrò , Andrea Pollastro , Roberto Prevete

Graph representation learning has attracted a surge of interest recently, whose target at learning discriminant embedding for each node in the graph. Most of these representation methods focus on supervised learning and heavily depend on…

机器学习 · 计算机科学 2021-07-07 Pengpeng Shao , Tong Liu , Dawei Zhang , Jianhua Tao , Feihu Che , Guohua Yang

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

机器学习 · 计算机科学 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved,…

机器学习 · 计算机科学 2022-05-20 Max Wasserman , Saurabh Sihag , Gonzalo Mateos , Alejandro Ribeiro

Message passing has evolved as an effective tool for designing Graph Neural Networks (GNNs). However, most existing methods for message passing simply sum or average all the neighboring features to update node representations. They are…

机器学习 · 计算机科学 2022-06-17 Rui Yang , Wenrui Dai , Chenglin Li , Junni Zou , Hongkai Xiong

Autoencoders are effective deep learning models that can function as generative models and learn latent representations for downstream tasks. The use of graph autoencoders - with both encoder and decoder implemented as message passing…

机器学习 · 计算机科学 2025-03-04 Magnus Cunow , Gerrit Großmann

Conformal Autoencoders are a neural network architecture that imposes orthogonality conditions between the gradients of latent variables to obtain disentangled representations of data. In this work we show that orthogonality relations…

机器学习 · 计算机科学 2025-07-14 George A. Kevrekidis , Zan Ahmad , Mauro Maggioni , Soledad Villar , Yannis G. Kevrekidis

Graph convolutional neural networks (GCNs) generalize tradition convolutional neural networks (CNNs) from low-dimensional regular graphs (e.g., image) to high dimensional irregular graphs (e.g., text documents on word embeddings). Due to…

机器学习 · 计算机科学 2021-03-30 Mehrnaz Najafi , Philip S. Yu

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

Graph representation learning is a fundamental research issue and benefits a wide range of applications on graph-structured data. Conventional artificial neural network-based methods such as graph neural networks (GNNs) and variational…

神经与进化计算 · 计算机科学 2022-11-04 Hanxuan Yang , Ruike Zhang , Qingchao Kong , Wenji Mao

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

机器学习 · 计算机科学 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

A large number of real-world graphs or networks are inherently heterogeneous, involving a diversity of node types and relation types. Heterogeneous graph embedding is to embed rich structural and semantic information of a heterogeneous…

社会与信息网络 · 计算机科学 2020-04-01 Xinyu Fu , Jiani Zhang , Ziqiao Meng , Irwin King

Recent studies have indicated that Graph Convolutional Networks (GCNs) act as a \emph{low pass} filter in spectral domain and encode smoothed node representations. In this paper, we consider their opposite, namely Graph Deconvolutional…

机器学习 · 计算机科学 2020-12-23 Jia Li , Tomas Yu , Da-Cheng Juan , Arjun Gopalan , Hong Cheng , Andrew Tomkins

GNNs have been proven to perform highly effective in various node-level, edge-level, and graph-level prediction tasks in several domains. Existing approaches mainly focus on static graphs. However, many graphs change over time with their…

机器学习 · 计算机科学 2022-06-22 Bahareh Najafi , Saeedeh Parsaeefard , Alberto Leon-Garcia

The Transformer architecture has gained growing attention in graph representation learning recently, as it naturally overcomes several limitations of graph neural networks (GNNs) by avoiding their strict structural inductive biases and…

机器学习 · 统计学 2022-06-14 Dexiong Chen , Leslie O'Bray , Karsten Borgwardt

Modeling and simulation of complex fluid flows with dynamics that span multiple spatio-temporal scales is a fundamental challenge in many scientific and engineering domains. Full-scale resolving simulations for systems such as highly…

机器学习 · 计算机科学 2025-02-13 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

Multi-frequency Electrical Impedance Tomography (mfEIT) represents a promising biomedical imaging modality that enables the estimation of tissue conductivities across a range of frequencies. Addressing this challenge, we present a novel…

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

机器学习 · 计算机科学 2026-02-03 Zeljko Bolevic , Milos Brajovic , Isidora Stankovic , Ljubisa Stankovic

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote…

机器学习 · 计算机科学 2023-04-04 Brian R. Bartoldson , Yeping Hu , Amar Saini , Jose Cadena , Yucheng Fu , Jie Bao , Zhijie Xu , Brenda Ng , Phan Nguyen

In this paper, we propose MGNet, a simple and effective multiplex graph convolutional network (GCN) model for multimodal brain network analysis. The proposed method integrates tensor representation into the multiplex GCN model to extract…

计算机视觉与模式识别 · 计算机科学 2021-08-03 Zhaoming Kong , Lichao Sun , Hao Peng , Liang Zhan , Yong Chen , Lifang He
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