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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…

机器学习 · 计算机科学 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…

无序系统与神经网络 · 物理学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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…

人工智能 · 计算机科学 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…

神经与进化计算 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

定量方法 · 定量生物学 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…

计算与语言 · 计算机科学 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…

神经与进化计算 · 计算机科学 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.…

机器学习 · 计算机科学 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…

神经元与认知 · 定量生物学 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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

人工智能 · 计算机科学 2023-09-04 Ugur Kursuncu , Manas Gaur , Amit Sheth