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A hallmark of graph neural networks is their ability to distinguish the isomorphism class of their inputs. This study derives hardness results for the classification variant of graph isomorphism in the message-passing model (MPNN). MPNN…

Machine Learning · Computer Science 2020-10-19 Andreas Loukas

Deep artificial neural networks have surpassed human-level performance across a diverse array of complex learning tasks, establishing themselves as indispensable tools in both social applications and scientific research. Despite these…

Disordered Systems and Neural Networks · Physics 2025-09-03 Chuanbo Liu , Jin Wang

Deep neural networks have usually to be compressed and accelerated for their usage in low-power, e.g. mobile, devices. Recently, massively-parallel hardware accelerators were developed that offer high throughput and low latency at low power…

Machine Learning · Computer Science 2021-08-04 Thomas Pfeil

Graph Neural Networks (GNNs) have led to state-of-the-art performance on a variety of machine learning tasks such as recommendation, node classification and link prediction. Graph neural network models generate node embeddings by merging…

Machine Learning · Computer Science 2020-11-04 Yunpeng Weng , Xu Chen , Liang Chen , Wei Liu

This paper offers a new perspective on Artificial Neural Networks (ANNs) architecture. Traditional ANNs commonly use tree-like or DAG structures for simplicity, which can be preset or determined by Neural Architecture Search (NAS). Yet,…

Machine Learning · Computer Science 2025-06-05 Xinshun Liu , Yizhi Fang , Yichao Jiang

Recent advances in machine learning have led to a surge in adoption of neural networks for various tasks, but lack of interpretability remains an issue for many others in which an understanding of the features influencing the prediction is…

Recent years have witnessed the great success of deep neural networks in many research areas. The fundamental idea behind the design of most neural networks is to learn similarity patterns from data for prediction and inference, which lacks…

Artificial Intelligence · Computer Science 2019-10-22 Shaoyun Shi , Hanxiong Chen , Min Zhang , Yongfeng Zhang

Living neural networks emerge through a process of growth and self-organization that begins with a single cell and results in a brain, an organized and functional computational device. Artificial neural networks, however, rely on…

Neural and Evolutionary Computing · Computer Science 2019-06-05 Guruprasad Raghavan , Matt Thomson

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Machine Learning · Computer Science 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

Graph are a ubiquitous data representation, as they represent a flexible and compact representation. For instance, the 3D structure of RNA can be efficiently represented as $\textit{2.5D graphs}$, graphs whose nodes are nucleotides and…

Machine Learning · Computer Science 2021-09-21 Vincent Mallet , Carlos G. Oliver , William L. Hamilton

Currently, increasingly deeper neural networks have been applied to improve their accuracy. In contrast, We propose a novel wider Convolutional Neural Networks (CNN) architecture, motivated by the Multi-column Deep Neural Networks and the…

Computer Vision and Pattern Recognition · Computer Science 2018-10-10 Xiaobo Huang

One of the main goals of developmental biology is to reveal the gene regulatory networks (GRNs) underlying the robust differentiation of multipotent progenitors into precisely specified cell types. Most existing methods to infer GRNs from…

Quantitative Methods · Quantitative Biology 2024-01-23 Maria Mircea , Diego Garlaschelli , Stefan Semrau

How to properly model graphs is a long-existing and important problem in NLP area, where several popular types of graphs are knowledge graphs, semantic graphs and dependency graphs. Comparing with other data structures, such as sequences…

Computation and Language · Computer Science 2019-07-16 Linfeng Song

In contrast to biological neural circuits, conventional artificial neural networks are commonly organized as strictly hierarchical architectures that exclude direct connections among neurons within the same layer. Consequently, information…

Neural and Evolutionary Computing · Computer Science 2025-11-17 Rafiad Sadat Shahir , Zayed Humayun , Mashrufa Akter Tamim , Shouri Saha , Md. Golam Rabiul Alam , Abu Mohammad Khan

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

Machine Learning · Computer Science 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

Human brains lie at the core of complex neurobiological systems, where the neurons, circuits, and subsystems interact in enigmatic ways. Understanding the structural and functional mechanisms of the brain has long been an intriguing pursuit…

Neurons and Cognition · Quantitative Biology 2022-07-26 Hejie Cui , Wei Dai , Yanqiao Zhu , Xiaoxiao Li , Lifang He , Carl Yang

Neural networks are often represented as graphs of connections between neurons. However, despite their wide use, there is currently little understanding of the relationship between the graph structure of the neural network and its…

Machine Learning · Computer Science 2020-08-28 Jiaxuan You , Jure Leskovec , Kaiming He , Saining Xie

As a popular machine learning method, neural networks can be used to solve many complex tasks. Their strong generalization ability comes from the representation ability of the basic neuron model. The most popular neuron is the MP neuron,…

Machine Learning · Computer Science 2020-11-24 Junyi An , Fengshan Liu , Jian Zhao , Furao Shen

The human brain can be considered to be a graphical structure comprising of tens of billions of biological neurons connected by synapses. It has the remarkable ability to automatically re-route information flow through alternate paths in…

Machine Learning · Computer Science 2022-08-26 Hang Li , Qadeer Khan , Volker Tresp , Daniel Cremers

Learning the underlying patterns in data goes beyond instance-based generalization to external knowledge represented in structured graphs or networks. Deep learning that primarily constitutes neural computing stream in AI has shown…

Artificial Intelligence · Computer Science 2023-09-04 Ugur Kursuncu , Manas Gaur , Amit Sheth