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This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various…

机器学习 · 计算机科学 2019-05-14 Yujia Li , Chenjie Gu , Thomas Dullien , Oriol Vinyals , Pushmeet Kohli

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

Graph Neural Networks (GNNs) have become the de facto standard for learning on relational data. While traditional GNNs' message passing is well suited for vector-valued node features, there are cases in which node features are better…

机器学习 · 计算机科学 2026-05-21 André Ribeiro , Ana Luiza Tenório , Tiago da Silva , Diego Mesquita

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

机器学习 · 计算机科学 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi

Dynamic interactions between entities are prevalent in domains like social platforms, financial systems, healthcare, and e-commerce. These interactions can be effectively represented as time-evolving graphs, where predicting future…

机器学习 · 计算机科学 2026-01-21 Sidharth Agarwal , Tanishq Dubey , Shubham Gupta , Srikanta Bedathur

Supply networks are essential for modern production, yet their critical properties remain understudied. We present a stochastic model with random production capacities to analyze material flow to a root node, focusing on topology and buffer…

物理与社会 · 物理学 2025-06-02 Yannick Feld , Marc Barthelemy

Simulation-Grounded Neural Networks (SGNNs) are predictive models trained entirely on synthetic data from mechanistic simulations. They have achieved state-of-the-art performance in domains where real-world labels are limited or unobserved,…

机器学习 · 计算机科学 2025-10-03 Carson Dudley , Marisa Eisenberg

Valuing mineral assets is a challenging task that is highly dependent on the supply (geological) uncertainty surrounding resources and reserves, and the uncertainty of demand (commodity prices). In this work, a graph-based reasoning,…

人工智能 · 计算机科学 2022-12-09 Yassine Yaakoubi , Hager Radi , Roussos Dimitrakopoulos

The application of graph neural networks (GNNs) to the domain of electrical power grids has high potential impact on smart grid monitoring. Even though there is a natural correspondence of power flow to message-passing in GNNs, their…

The last decade has witnessed a boom of deep learning research and applications achieving state-of-the-art results in various domains. However, most advances have been established empirically, and their theoretical analysis remains lacking.…

机器学习 · 计算机科学 2020-10-07 Yuesong Shen , Daniel Cremers

Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

神经元与认知 · 定量生物学 2026-02-17 Cédric Allier , Larissa Heinrich , Magdalena Schneider , Stephan Saalfeld

The advent of the web has led to a paradigm shift in the financial relations, with the real-time dissemination of news, social discourse, and financial filings contributing significantly to the reshaping of financial forecasting. The…

机器学习 · 计算机科学 2026-02-03 Yingjie Niu , Lanxin Lu , Changhong Jin , Ruihai Dong

Graph Neural Networks (GNNs) have emerged as powerful tools for supervised machine learning over graph-structured data, while sampling-based node representation learning is widely utilized in unsupervised learning. However, scalability…

机器学习 · 计算机科学 2024-07-23 Vipul Gupta , Xin Chen , Ruoyun Huang , Fanlong Meng , Jianjun Chen , Yujun Yan

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

Graph convolutional neural networks (GCNNs) have emerged as powerful tools for analyzing graph-structured data, achieving remarkable success across diverse applications. However, the theoretical understanding of the stability of these…

机器学习 · 计算机科学 2025-10-28 Ning Zhang , Henry Kenlay , Li Zhang , Mihai Cucuringu , Xiaowen Dong

Session-based recommendations have been widely adopted for various online video and E-commerce Websites. Most existing approaches are intuitively proposed to discover underlying interests or preferences out of the anonymous session data.…

信息检索 · 计算机科学 2022-02-25 Liqi Yang , Linhan Luo , Lifeng Xin , Xiaofeng Zhang , Xinni Zhang

Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully…

机器学习 · 计算机科学 2022-10-06 Enyan Dai , Suhang Wang

We consider the problem of predicting edges in a graph from node attributes in an e-commerce setting. Specifically, given nodes labelled with search query text, we want to predict links to related queries that share products. Experiments…

机器学习 · 计算机科学 2020-06-15 Matthew Dippel , Adam Kiezun , Tanay Mehta , Ravi Sundaram , Srikanth Thirumalai , Akshar Varma

We propose a new family of efficient and expressive deep generative models of graphs, called Graph Recurrent Attention Networks (GRANs). Our model generates graphs one block of nodes and associated edges at a time. The block size and…

Managing microservice architectures in distributed systems is complex and resource intensive due to the high frequency and dynamic nature of inter service interactions. Accurate prediction of these future interactions can enhance adaptive…

机器学习 · 计算机科学 2025-01-28 Ghazal Khodabandeh , Alireza Ezaz , Majid Babaei , Naser Ezzati-Jivan