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We develop a PyTorch-based Graph Network Simulator (GNS) that learns physics and predicts the flow behavior of particulate and fluid systems. GNS discretizes the domain with nodes representing a collection of material points and the links…

Machine Learning · Computer Science 2022-11-21 Krishna Kumar , Joseph Vantassel

Path signatures provide a rich representation of sequential data, with strong theoretical guarantees and good performance in a variety of machine-learning tasks. While signatures have progressed from fixed feature extractors to trainable…

Machine Learning · Computer Science 2026-03-02 Tobias Nygaard

Graph or network data is ubiquitous in the real world, including social networks, information networks, traffic networks, biological networks and various technical networks. The non-Euclidean nature of graph data poses the challenge for…

Social and Information Networks · Computer Science 2019-09-06 Junjie Huang , Huawei Shen , Liang Hou , Xueqi Cheng

We design and implement a Python library to help the non-expert using all these powerful tools in a way that is efficient, extensible, and simple to incorporate into the workflow of the data scientist, practitioner, and applied researcher.…

Optimization and Control · Mathematics 2022-04-13 Mario Lezcano-Casado

Identifying vulnerable code is a precautionary measure to counter software security breaches. Tedious expert effort has been spent to build static analyzers, yet insecure patterns are barely fully enumerated. This work explores a deep…

Artificial Intelligence · Computer Science 2021-09-09 Yufan Zhuang , Sahil Suneja , Veronika Thost , Giacomo Domeniconi , Alessandro Morari , Jim Laredo

Signature-based methods have recently gained significant traction in machine learning for sequential data. In particular, signature kernels have emerged as powerful discriminators and training losses for generative models on time-series,…

Machine Learning · Computer Science 2025-09-16 Daniil Shmelev , Cristopher Salvi

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Haiyang Lin , Mingyu Yan , Xiaochun Ye , Dongrui Fan , Shirui Pan , Wenguang Chen , Yuan Xie

Due to the fact much of today's data can be represented as graphs, there has been a demand for generalizing neural network models for graph data. One recent direction that has shown fruitful results, and therefore growing interest, is the…

Social and Information Networks · Computer Science 2018-08-21 Tyler Derr , Yao Ma , Jiliang Tang

Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

Machine Learning · Computer Science 2022-05-10 Tianlong Chen , Kaixiong Zhou , Keyu Duan , Wenqing Zheng , Peihao Wang , Xia Hu , Zhangyang Wang

Graph embedding methods produce unsupervised node features from graphs that can then be used for a variety of machine learning tasks. Modern graphs, particularly in industrial applications, contain billions of nodes and trillions of edges,…

Machine Learning · Computer Science 2019-12-05 Adam Lerer , Ledell Wu , Jiajun Shen , Timothee Lacroix , Luca Wehrstedt , Abhijit Bose , Alex Peysakhovich

Over the past few years, graph neural networks (GNNs) have become powerful and practical tools for learning on (static) graph-structure data. However, many real-world applications, such as social networks and e-commerce, involve temporal…

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…

Graph neural networks (GNNs) have attracted tremendous attention from the graph learning community in recent years. It has been widely adopted in various real-world applications from diverse domains, such as social networks and biological…

Graph representation learning is a fast-growing field where one of the main objectives is to generate meaningful representations of graphs in lower-dimensional spaces. The learned embeddings have been successfully applied to perform various…

Machine Learning · Computer Science 2021-12-21 Md. Khaledur Rahman , Ariful Azad

Graph Neural Networks (GNNs) have been widely used to learn representations on graphs and tackle many real-world problems from a wide range of domains. In this paper we propose wsGAT, an extension of the Graph Attention Network (GAT)…

Social and Information Networks · Computer Science 2022-02-01 Marco Grassia , Giuseppe Mangioni

Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections,…

Recently there has been increasing interest in developing and deploying deep graph learning algorithms for many tasks, such as fraud detection and recommender systems. Albeit, there is a limited number of publicly available graph-structured…

Machine Learning · Computer Science 2023-10-06 Sajad Darabi , Piotr Bigaj , Dawid Majchrowski , Artur Kasymov , Pawel Morkisz , Alex Fit-Florea

The existing research on robust Graph Neural Networks (GNNs) fails to acknowledge the significance of directed graphs in providing rich information about networks' inherent structure. This work presents the first investigation into the…

Machine Learning · Computer Science 2023-06-06 Zhichao Hou , Xitong Zhang , Wei Wang , Charu C. Aggarwal , Xiaorui Liu

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats…

Machine Learning · Computer Science 2024-12-12 Henan Sun , Xunkai Li , Daohan Su , Junyi Han , Rong-Hua Li , Guoren Wang

Signed Graph Neural Networks (SGNNs) are effective in learning expressive representations for signed graphs but typically require substantial task-specific labels, limiting their applicability in label-scarce industrial scenarios. In…

Machine Learning · Computer Science 2025-08-19 Zian Zhai , Sima Qing , Xiaoyang Wang , Wenjie Zhang