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The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

Machine Learning · Computer Science 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

Graph neural networks can be effectively applied to find solutions for many real-world problems across widely diverse fields. The success of graph neural networks is linked to the message-passing mechanism on the graph, however, the…

Machine Learning · Computer Science 2022-01-06 Yan Pang , Chao Liu

We present a new approach, the Topograph, which reconstructs underlying physics processes, including the intermediary particles, by leveraging underlying priors from the nature of particle physics decays and the flexibility of message…

High Energy Physics - Phenomenology · Physics 2023-10-16 Lukas Ehrke , John Andrew Raine , Knut Zoch , Manuel Guth , Tobias Golling

A universal interatomic potential for an arbitrary set of chemical elements is urgently needed in computational materials science. Graph convolution neural network (GCN) has rich expressive power, but previously was mainly employed to…

Computational Physics · Physics 2022-03-17 So Takamoto , Satoshi Izumi , Ju Li

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

Machine Learning · Computer Science 2024-05-10 Jiayi Yang , Sourav Medya , Wei Ye

Graph convolutional networks (GCNs) have been attracting widespread attentions due to their encouraging performance and powerful generalizations. However, few work provide a general view to interpret various GCNs and guide GCNs' designs. In…

Machine Learning · Computer Science 2023-07-04 Shiping Wang , Zhihao Wu , Yuhong Chen , Yong Chen

Graph neural networks (GNNs) are a class of effective deep learning models for node classification tasks; yet their predictive capability may be severely compromised under adversarially designed unnoticeable perturbations to the graph…

Machine Learning · Computer Science 2023-01-05 Xiao Zang , Jie Chen , Bo Yuan

Recently, graph neural networks have been adopted in a wide variety of applications ranging from relational representations to modeling irregular data domains such as point clouds and social graphs. However, the space of graph neural…

Machine Learning · Computer Science 2018-12-14 Marcel Nassar

The integration of sentences poses an intriguing challenge within the realm of NLP, but it has not garnered the attention it deserves. Existing methods that focus on sentence arrangement, textual consistency, and question answering are…

Computation and Language · Computer Science 2026-01-08 Fang Wu , Stan Z. Li

Graph convolutional learning has led to many exciting discoveries in diverse areas. However, in some applications, traditional graphs are insufficient to capture the structure and intricacies of the data. In such scenarios, multigraphs…

Machine Learning · Computer Science 2023-04-26 Landon Butler , Alejandro Parada-Mayorga , Alejandro Ribeiro

Recent advancements in graph representation learning have led to the emergence of condensed encodings that capture the main properties of a graph. However, even though these abstract representations are powerful for downstream tasks, they…

Machine Learning · Computer Science 2020-02-21 Cristian Bodnar , Cătălina Cangea , Pietro Liò

Dynamic graphs provide a flexible data abstraction for modelling many sorts of real-world systems, such as transport, trade, and social networks. Graph neural networks (GNNs) are powerful tools allowing for different kinds of prediction and…

Machine Learning · Statistics 2025-03-27 Ed Davis , Ian Gallagher , Daniel John Lawson , Patrick Rubin-Delanchy

Graph Neural Networks (GNNs) use a fully-connected layer to extract features from the nodes of a graph and aggregate these features using message passing between nodes, combining two distinct computational patterns: dense, regular…

Hardware Architecture · Computer Science 2021-03-22 Jacob R. Stevens , Dipankar Das , Sasikanth Avancha , Bharat Kaul , Anand Raghunathan

Graph Neural Networks (GNNs) have been widely used in various domains, and GNNs with sophisticated computational graph lead to higher latency and larger memory consumption. Optimizing the GNN computational graph suffers from: (1) Redundant…

Machine Learning · Computer Science 2021-10-20 Hengrui Zhang , Zhongming Yu , Guohao Dai , Guyue Huang , Yufei Ding , Yuan Xie , Yu Wang

Heterogeneous graphs generally refers to graphs with different types of nodes and edges. A common approach for extracting useful information from heterogeneous graphs is to use meta-graphs, which can be seen as a special kind of directed…

Machine Learning · Computer Science 2023-09-04 Hansi Yang , Peiyu Zhang , Quanming Yao

We present a deep reinforcement learning approach to minimizing the execution cost of neural network computation graphs in an optimizing compiler. Unlike earlier learning-based works that require training the optimizer on the same graph to…

Machine Learning · Computer Science 2020-02-11 Aditya Paliwal , Felix Gimeno , Vinod Nair , Yujia Li , Miles Lubin , Pushmeet Kohli , Oriol Vinyals

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…

Machine Learning · Computer Science 2024-04-16 Tianhao Peng , Wenjun Wu , Haitao Yuan , Zhifeng Bao , Zhao Pengrui , Xin Yu , Xuetao Lin , Yu Liang , Yanjun Pu

Graph kernels are historically the most widely-used technique for graph classification tasks. However, these methods suffer from limited performance because of the hand-crafted combinatorial features of graphs. In recent years, graph neural…

Machine Learning · Computer Science 2022-02-28 Aosong Feng , Chenyu You , Shiqiang Wang , Leandros Tassiulas

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Inferring missing links or detecting spurious ones based on observed graphs, known as link prediction, is a long-standing challenge in graph data analysis. With the recent advances in deep learning, graph neural networks have been used for…

Social and Information Networks · Computer Science 2023-01-03 Xingping Xian , Tao Wu , Xiaoke Ma , Shaojie Qiao , Yabin Shao , Chao Wang , Lin Yuan , Yu Wu