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Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk

We present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from…

Machine Learning · Computer Science 2016-07-11 James Atwood , Don Towsley

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…

Neural and Evolutionary Computing · Computer Science 2025-07-15 Nan Yin , Mengzhu Wan , Li Shen , Hitesh Laxmichand Patel , Baopu Li , Bin Gu , Huan Xiong

We perform topological data analysis on the internal states of convolutional deep neural networks to develop an understanding of the computations that they perform. We apply this understanding to modify the computations so as to (a) speed…

Machine Learning · Computer Science 2018-11-06 Gunnar Carlsson , Rickard Brüel Gabrielsson

Deep Neural networks are efficient and flexible models that perform well for a variety of tasks such as image, speech recognition and natural language understanding. In particular, convolutional neural networks (CNN) generate a keen…

Machine Learning · Computer Science 2018-12-20 Yesmina Jaafra , Jean Luc Laurent , Aline Deruyver , Mohamed Saber Naceur

In recommender systems, user-item interactions can be modeled as a bipartite graph, where user and item nodes are connected by undirected edges. This graph-based view has motivated the rapid adoption of graph neural networks (GNNs), which…

The design of neural architectures for structured objects is typically guided by experimental insights rather than a formal process. In this work, we appeal to kernels over combinatorial structures, such as sequences and graphs, to derive…

Neural and Evolutionary Computing · Computer Science 2017-10-31 Tao Lei , Wengong Jin , Regina Barzilay , Tommi Jaakkola

Graph neural networks have become a staple in problems addressing learning and analysis of data defined over graphs. However, several results suggest an inherent difficulty in extracting better performance by increasing the number of…

Machine Learning · Computer Science 2021-03-30 Diego Valsesia , Giulia Fracastoro , Enrico Magli

The irreducible complexity of natural phenomena has led Graph Neural Networks to be employed as a standard model to perform representation learning tasks on graph-structured data. While their capacity to capture local and global patterns is…

Machine Learning · Computer Science 2024-02-13 Lorenzo Giusti

Graph Neural Networks (GNNs) have been popularly used for analyzing non-Euclidean data such as social network data and biological data. Despite their success, the design of graph neural networks requires a lot of manual work and domain…

Machine Learning · Computer Science 2020-11-03 Yang Gao , Hong Yang , Peng Zhang , Chuan Zhou , Yue Hu

Neural Architecture Search (NAS) has recently gained increased attention, as a class of approaches that automatically searches in an input space of network architectures. A crucial part of the NAS pipeline is the encoding of the…

Machine Learning · Computer Science 2021-08-18 Michail Chatzianastasis , George Dasoulas , Georgios Siolas , Michalis Vazirgiannis

In recent years, there has been a surge in applying deep learning to various challenging design problems in communication networks. The early attempts adopt neural architectures inherited from applications such as computer vision, which…

Information Theory · Computer Science 2022-03-22 Yifei Shen , Jun Zhang , Khaled B. Letaief

Performing analytical tasks over graph data has become increasingly interesting due to the ubiquity and large availability of relational information. However, unlike images or sentences, there is no notion of sequence in networks. Nodes…

Neural and Evolutionary Computing · Computer Science 2020-10-28 Matheus Nunes , Gisele L. Pappa

Data-driven machine learning approaches have recently been proposed to facilitate wireless network optimization by learning latent knowledge from historical optimization instances. However, existing methods do not well handle the topology…

Networking and Internet Architecture · Computer Science 2021-01-06 Shuai Zhang , Bo Yin , Yu Cheng

Graph Neural Networks (GNNs) have emerged as a powerful tool to learn from graph-structured data. A paramount example of such data is the brain, which operates as a network, from the micro-scale of neurons, to the macro-scale of regions.…

Machine Learning · Computer Science 2022-11-17 Ahmed ElGazzar , Rajat Thomas , Guido van Wingen

Graph neural network (GNN) models are increasingly being used for the classification of electroencephalography (EEG) data. However, GNN-based diagnosis of neurological disorders, such as Alzheimer's disease (AD), remains a relatively…

Neurons and Cognition · Quantitative Biology 2023-12-21 Dominik Klepl , Fei He , Min Wu , Daniel J. Blackburn , Ptolemaios G. Sarrigiannis

GraphRNN is a deep learning-based architecture proposed by You et al. for learning generative models for graphs. We replicate the results of You et al. using a reproduced implementation of the GraphRNN architecture and evaluate this against…

Machine Learning · Computer Science 2023-07-27 Taniya Das , Mark Koch , Maya Ravichandran , Nikhil Khatri

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Machine Learning · Computer Science 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

Neural Architecture Search (NAS) has emerged as a key tool in identifying optimal configurations of deep neural networks tailored to specific tasks. However, training and assessing numerous architectures introduces considerable…

Machine Learning · Computer Science 2024-04-25 Haoming Zhang , Ran Cheng