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This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…

Machine Learning · Computer Science 2024-08-13 Amanda A. Volk , Robert W. Epps , Jeffrey G. Ethier , Luke A. Baldwin

Geometric variations like rotation, scaling, and viewpoint changes pose a significant challenge to visual understanding. One common solution is to directly model certain intrinsic structures, e.g., using landmarks. However, it then becomes…

Machine Learning · Statistics 2020-10-13 Xiuyuan Cheng , Zichen Miao , Qiang Qiu

Spectral Graph Convolutional Networks (GCNs) have gained popularity in graph machine learning applications due, in part, to their flexibility in specification of network propagation rules. These propagation rules are often constructed as…

Machine Learning · Computer Science 2024-10-02 Mustafa Coşkun , Ananth Grama , Mehmet Koyutürk

Graph signal processing analyzes signals supported on the nodes of a graph by defining the shift operator in terms of a matrix, such as the graph adjacency matrix or Laplacian matrix, related to the structure of the graph. With respect to…

Signal Processing · Electrical Eng. & Systems 2018-03-01 Stephen Kruzick , José M. F. Moura

We introduce Automorphism-based graph neural networks (Autobahn), a new family of graph neural networks. In an Autobahn, we decompose the graph into a collection of subgraphs and apply local convolutions that are equivariant to each…

Machine Learning · Computer Science 2022-02-04 Erik Henning Thiede , Wenda Zhou , Risi Kondor

Convolutional neural networks (CNNs) have massively impacted visual recognition in 2D images, and are now ubiquitous in state-of-the-art approaches. CNNs do not easily extend, however, to data that are not represented by regular grids, such…

Computer Vision and Pattern Recognition · Computer Science 2018-03-29 Nitika Verma , Edmond Boyer , Jakob Verbeek

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

Predictive monitoring of business processes is a subfield of process mining that aims to predict, among other things, the characteristics of the next event or the sequence of next events. Although multiple approaches based on deep learning…

Machine Learning · Computer Science 2021-12-24 Efrén Rama-Maneiro , Juan C. Vidal , Manuel Lama

Graph neural networks (GNNs) have received tremendous attention due to their power in learning effective representations for graphs. Most GNNs follow a message-passing scheme where the node representations are updated by aggregating and…

Machine Learning · Computer Science 2021-05-11 Wei Jin , Xiaorui Liu , Yao Ma , Tyler Derr , Charu Aggarwal , Jiliang Tang

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

A convolutional layer in a Convolutional Neural Network (CNN) consists of many filters which apply convolution operation to the input, capture some special patterns and pass the result to the next layer. If the same patterns also occur at…

Computer Vision and Pattern Recognition · Computer Science 2019-02-04 Okan Köpüklü , Maryam Babaee , Stefan Hörmann , Gerhard Rigoll

Graph Neural Networks (GNNs) rely on graph convolutions to exploit meaningful patterns in networked data. Based on matrix multiplications, convolutions incur in high computational costs leading to scalability limitations in practice. To…

Machine Learning · Computer Science 2022-10-28 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

In the current era of neural networks and big data, higher dimensional data is processed for automation of different application areas. Graphs represent a complex data organization in which dependencies between more than one object or…

Machine Learning · Computer Science 2019-12-23 Ihsan Ullah , Mario Manzo , Mitul Shah , Michael Madden

This paper proposes a new Quantum Spatial Graph Convolutional Neural Network (QSGCNN) model that can directly learn a classification function for graphs of arbitrary sizes. Unlike state-of-the-art Graph Convolutional Neural Network (GCNN)…

Machine Learning · Computer Science 2023-04-04 Lu Bai , Yuhang Jiao , Luca Rossi , Lixin Cui , Jian Cheng , Edwin R. Hancock

Graph Neural Networks (GNNs) are information processing architectures for signals supported on graphs. They are presented here as generalizations of convolutional neural networks (CNNs) in which individual layers contain banks of graph…

Machine Learning · Computer Science 2021-02-01 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

Graph data often exhibits complex geometric heterogeneity, where structures with varying local curvature, such as tree-like hierarchies and dense communities, coexist within a single network. Existing geometric GNNs, which embed graphs into…

Machine Learning · Computer Science 2026-01-21 Xudong Wang , Chris Ding , Tongxin Li , Jicong Fan

Graph convolutional neural network provides good solutions for node classification and other tasks with non-Euclidean data. There are several graph convolutional models that attempt to develop deep networks but do not cause serious…

Machine Learning · Computer Science 2021-02-22 Jingyi Wang , Zhidong Deng

Attributed graph embedding, which learns vector representations from graph topology and node features, is a challenging task for graph analysis. Recently, methods based on graph convolutional networks (GCNs) have made great progress on this…

Machine Learning · Computer Science 2020-07-06 Ganqu Cui , Jie Zhou , Cheng Yang , Zhiyuan Liu

Graph learning is currently dominated by graph kernels, which, while powerful, suffer some significant limitations. Convolutional Neural Networks (CNNs) offer a very appealing alternative, but processing graphs with CNNs is not trivial. To…

Computer Vision and Pattern Recognition · Computer Science 2019-09-04 Antoine Jean-Pierre Tixier , Giannis Nikolentzos , Polykarpos Meladianos , Michalis Vazirgiannis

Adversarial attacks present a significant risk to the integrity and performance of graph neural networks, particularly in tasks where graph structure and node features are vulnerable to manipulation. In this paper, we present a novel model,…

Machine Learning · Computer Science 2025-11-04 Shakib Khan , A. Ben Hamza , Amr Youssef