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Predicting genetic perturbations enables the identification of potentially crucial genes prior to wet-lab experiments, significantly improving overall experimental efficiency. Since genes are the foundation of cellular life, building gene…

定量方法 · 定量生物学 2025-05-09 Changxi Chi , Jun Xia , Jingbo Zhou , Jiabei Cheng , Chang Yu , Stan Z. Li

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world…

机器学习 · 计算机科学 2023-10-17 Haitao Mao , Zhikai Chen , Wei Jin , Haoyu Han , Yao Ma , Tong Zhao , Neil Shah , Jiliang Tang

Recent years have seen substantial progress in neural generation of text, images, and audio, supported by mature training pipelines and large-scale optimization. For graphs, however, comparable progress has been more limited. We attribute…

计算机视觉与模式识别 · 计算机科学 2026-05-21 André Eberhard , Gerhard Neumann , Pascal Friederich

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

机器学习 · 计算机科学 2023-06-16 Yilin Ding , Zhen Liu , Hao Hao

Graph Neural Networks (GNNs) are widely used on a variety of graph-based machine learning tasks. For node-level tasks, GNNs have strong power to model the homophily property of graphs (i.e., connected nodes are more similar) while their…

机器学习 · 计算机科学 2022-04-26 Lun Du , Xiaozhou Shi , Qiang Fu , Xiaojun Ma , Hengyu Liu , Shi Han , Dongmei Zhang

Node classification tasks on graphs are addressed via fully-trained deep message-passing models that learn a hierarchy of node representations via multiple aggregations of a node's neighbourhood. While effective on graphs that exhibit a…

机器学习 · 计算机科学 2023-07-19 Alessio Micheli , Domenico Tortorella

Heterogeneous graphs (HGs) are common in real-world scenarios and often exhibit heterophily. However, most existing studies focus on either heterogeneity or heterophily in isolation, overlooking the prevalence of heterophilic HGs in…

机器学习 · 计算机科学 2025-08-11 Qin Chen , Guojie Song

Graph heterophily, where connected nodes have different labels, has attracted significant interest recently. Most existing works adopt a simplified approach - using low-pass filters for homophilic graphs and high-pass filters for…

机器学习 · 计算机科学 2025-10-14 Shuaicheng Zhang , Haohui Wang , Junhong Lin , Xiaojie Guo , Yada Zhu , Si Zhang , Dongqi Fu , Dawei Zhou

Learning distributed representations of source code has been a challenging task for machine learning models. Earlier works treated programs as text so that natural language methods can be readily applied. Unfortunately, such approaches do…

软件工程 · 计算机科学 2020-05-28 Yu Wang , Fengjuan Gao , Linzhang Wang , Ke Wang

We focus on graph classification using a graph neural network (GNN) model that precomputes the node features using a bank of neighborhood aggregation graph operators arranged in parallel. These GNN models have a natural advantage of reduced…

机器学习 · 计算机科学 2022-11-23 Siddhant Doshi , Sundeep Prabhakar Chepuri

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…

机器学习 · 计算机科学 2024-04-16 Tianhao Peng , Wenjun Wu , Haitao Yuan , Zhifeng Bao , Zhao Pengrui , Xin Yu , Xuetao Lin , Yu Liang , Yanjun Pu

We introduce the concept of a Graph-Informed Neural Network (GINN), a hybrid approach combining deep learning with probabilistic graphical models (PGMs) that acts as a surrogate for physics-based representations of multiscale and…

计算物理 · 物理学 2021-03-17 Eric J. Hall , Søren Taverniers , Markos A. Katsoulakis , Daniel M. Tartakovsky

Dealing with missing values and incomplete time series is a labor-intensive, tedious, inevitable task when handling data coming from real-world applications. Effective spatio-temporal representations would allow imputation methods to…

机器学习 · 计算机科学 2022-02-11 Andrea Cini , Ivan Marisca , Cesare Alippi

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

机器学习 · 计算机科学 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

Graph Convolutional Networks (GCNs) gained traction for graph representation learning, with recent attention on improving performance on heterophilic graphs for various real-world applications. The localized feature aggregation in a typical…

机器学习 · 计算机科学 2025-07-30 Garv Kaushik

Graph Neural Networks (GNNs) with numerical node features and graph structure as inputs have demonstrated superior performance on various supervised learning tasks with graph data. However the numerical node features utilized by GNNs are…

机器学习 · 计算机科学 2022-06-20 Jiuhai Chen , Jonas Mueller , Vassilis N. Ioannidis , Tom Goldstein , David Wipf

Graph neural networks (GNNs) achieve strong performance on homophilic graphs but often struggle under heterophily, where adjacent nodes frequently belong to different classes. We propose an interpretable and adaptive framework for…

机器学习 · 计算机科学 2025-12-30 Soroush Vahidi

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

机器学习 · 计算机科学 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

Graph Neural Networks (GNNs) have been broadly applied in many urban applications upon formulating a city as an urban graph whose nodes are urban objects like regions or points of interest. Recently, a few enhanced GNN architectures have…

机器学习 · 计算机科学 2023-06-22 Congxi Xiao , Jingbo Zhou , Jizhou Huang , Tong Xu , Hui Xiong

Graph convolutional network (GCN) based approaches have achieved significant progress for solving complex, graph-structured problems. GCNs incorporate the graph structure information and the node (or edge) features through message passing…

机器学习 · 计算机科学 2021-05-04 Saurav Manchanda , Da Zheng , George Karypis