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Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

机器学习 · 计算机科学 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Transferring latent structure from one environment or problem to another is a mechanism by which humans and animals generalize with very little data. Inspired by cognitive and neurobiological insights, we propose graph schemas as a…

Graph embedding learning that aims to automatically learn low-dimensional node representations, has drawn increasing attention in recent years. To date, most recent graph embedding methods are evaluated on social and information networks…

The remarkable success of foundation models has sparked growing interest in their application to single-cell biology. Models like Geneformer and scGPT promise to serve as versatile tools in this specialized field. However, representing a…

定量方法 · 定量生物学 2024-11-12 Jiabei Cheng , Jiachen Li , Kaiyuan Yang , Hongbin Shen , Ye Yuan

Foundation models have achieved great success in natural language processing (NLP) and computer vision (CV). Their success largely stems from the ability to integrate multi-domain knowledge in pre-training and transfer it to target domains.…

计算与语言 · 计算机科学 2025-07-01 Zihao Zhao , Xinlong Zhai , Jinyu Yang , Chuan Shi

Heterogeneous graph representation learning aims to learn low-dimensional vector representations of different types of entities and relations to empower downstream tasks. Existing methods either capture semantic relationships but indirectly…

机器学习 · 计算机科学 2025-08-14 Hao Xu , Shengqi Sang , Peizhen Bai , Laurence Yang , Haiping Lu

We consider a family of problems that are concerned about making predictions for the majority of unlabeled, graph-structured data samples based on a small proportion of labeled samples. Relational information among the data samples, often…

机器学习 · 计算机科学 2019-11-05 Jiaqi Ma , Weijing Tang , Ji Zhu , Qiaozhu Mei

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

Graphs are central to modeling complex systems in domains such as social networks, molecular chemistry, and neuroscience. While Graph Neural Networks, particularly Graph Convolutional Networks, have become standard tools for graph learning,…

机器学习 · 计算机科学 2025-11-03 Angelica Liguori , Ettore Ritacco , Pietro Sabatino , Annalisa Socievole

A central question in neuroscience is how self-organizing dynamic interactions in the brain emerge on their relatively static structural backbone. Due to the complexity of spatial and temporal dependencies between different brain areas,…

Graph kernels are kernel methods measuring graph similarity and serve as a standard tool for graph classification. However, the use of kernel methods for node classification, which is a related problem to graph representation learning, is…

机器学习 · 计算机科学 2019-10-08 Yu Tian , Long Zhao , Xi Peng , Dimitris N. Metaxas

Graph representation learning has recently been applied to a broad spectrum of problems ranging from computer graphics and chemistry to high energy physics and social media. The popularity of graph neural networks has sparked interest, both…

机器学习 · 计算机科学 2020-11-05 Fabrizio Frasca , Emanuele Rossi , Davide Eynard , Ben Chamberlain , Michael Bronstein , Federico Monti

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an…

机器学习 · 计算机科学 2022-02-28 Federico Errica

The topological (or graph) structures of real-world networks are known to be predictive of multiple dynamic properties of the networks. Conventionally, a graph structure is represented using an adjacency matrix or a set of hand-crafted…

社会与信息网络 · 计算机科学 2016-10-21 Cheng Li , Xiaoxiao Guo , Qiaozhu Mei

The growing complexity of wireless systems has accelerated the move from traditional methods to learning-based solutions. Graph Neural Networks (GNNs) are especially well-suited here, since wireless networks can be naturally represented as…

信号处理 · 电气工程与系统科学 2025-10-02 Romina Garcia Camargo , Zhiyang Wang , Alejandro Ribeiro

Graphs are a fundamental data structure for representing relational information in domains such as social networks, molecular systems, and knowledge graphs. However, graph learning models often suffer from limited generalization when…

机器学习 · 计算机科学 2026-01-30 Haoyang Li , Haibo Chen , Xin Wang , Wenwu Zhu

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

机器学习 · 计算机科学 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

社会与信息网络 · 计算机科学 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

Multi-domain graph pre-training integrates knowledge from diverse domains to enhance performance in the target domains, which is crucial for building graph foundation models. Despite initial success, existing solutions often fall short of…

机器学习 · 计算机科学 2026-03-03 Li Sun , Zhenhao Huang , Silei Chen , Lanxu Yang , Junda Ye , Sen Su , Philip S. Yu

Within clinical, biomedical, and translational science, an increasing number of projects are adopting graphs for knowledge representation. Graph-based data models elucidate the interconnectedness between core biomedical concepts, enable…