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Simultaneous trajectory prediction for multiple heterogeneous traffic participants is essential for the safe and efficient operation of connected automated vehicles under complex driving situations in the real world. The multi-agent…

机器人学 · 计算机科学 2021-06-15 Xiaoyu Mo , Yang Xing , Chen Lv

Link prediction aims to estimate the likelihood of connections between pairs of nodes in complex networks, which is beneficial to many applications from friend recommendation to metabolic network reconstruction. Traditional heuristic-based…

社会与信息网络 · 计算机科学 2025-04-30 Ke-ke Shang , Junfan Yi , Michael Small , Yijie Zhou

Recently, significant attention has been given to the idea of viewing relational databases as heterogeneous graphs, enabling the application of graph neural network (GNN) technology for predictive tasks. However, existing GNN methods…

机器学习 · 计算机科学 2025-02-26 Francesco Ferrini , Antonio Longa , Andrea Passerini , Manfred Jaeger

The diagnosis and prognosis of cancer are typically based on multi-modal clinical data, including histology images and genomic data, due to the complex pathogenesis and high heterogeneity. Despite the advancements in digital pathology and…

定量方法 · 定量生物学 2024-04-15 Zeyu Zhang , Yuanshen Zhao , Jingxian Duan , Yaou Liu , Hairong Zheng , Dong Liang , Zhenyu Zhang , Zhi-Cheng Li

Transformers have revolutionized performance in Natural Language Processing and Vision, paving the way for their integration with Graph Neural Networks (GNNs). One key challenge in enhancing graph transformers is strengthening the…

机器学习 · 计算机科学 2026-01-09 Yun Young Choi , Sun Woo Park , Minho Lee , Youngho Woo

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

机器学习 · 计算机科学 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

We introduceGraphGPT, a novel self-supervised generative pre-trained model for graph learning based on the Graph Eulerian Transformer (GET). First, we propose GET, which combines a standard transformer encoder or decoder architecture with…

机器学习 · 计算机科学 2025-06-09 Qifang Zhao , Weidong Ren , Tianyu Li , Hong Liu , Xingsheng He , Xiaoxiao Xu

Target selection is crucial in pharmaceutical drug discovery, directly influencing clinical trial success. Despite its importance, drug development remains resource-intensive, often taking over a decade with significant financial costs.…

定量方法 · 定量生物学 2024-09-26 David Narganes-Carlon , Anniek Myatt , Mani Mudaliar , Daniel J. Crowther

A major challenge in biomedical data science is to identify the causal genes underlying complex genetic diseases. Despite the massive influx of genome sequencing data, identifying disease-relevant genes remains difficult as individuals with…

基因组学 · 定量生物学 2020-01-20 Borislav H. Hristov , Bernard Chazelle , Mona Singh

In recent years, deep learning (DL)-based methods have been widely used in code vulnerability detection. The DL-based methods typically extract structural information from source code, e.g., code structure graph, and adopt neural networks…

软件工程 · 计算机科学 2023-12-12 Xin-Cheng Wen , Cuiyun Gao , Jiaxin Ye , Yichen Li , Zhihong Tian , Yan Jia , Xuan Wang

The multi-scale information among the whole slide images (WSIs) is essential for cancer diagnosis. Although the existing multi-scale vision Transformer has shown its effectiveness for learning multi-scale image representation, it still…

计算机视觉与模式识别 · 计算机科学 2023-05-26 Saisai Ding , Juncheng Li , Jun Wang , Shihui Ying , Jun Shi

The Absorption, Distribution, Metabolism, Elimination, and Toxicity (ADMET) properties of drug candidates are estimated to account for up to 50% of all clinical trial failures. Predicting ADMET properties has therefore been of great…

机器学习 · 计算机科学 2019-03-29 Evan N. Feinberg , Robert Sheridan , Elizabeth Joshi , Vijay S. Pande , Alan C. Cheng

Comorbidity, the co-occurrence of multiple medical conditions in a single patient, profoundly impacts disease management and outcomes. Understanding these complex interconnections is crucial, especially in contexts where comorbidities…

机器学习 · 计算机科学 2025-10-13 Xihan Qin , Li Liao

Knowledge graphs offer a structured representation of real-world entities and their relationships, enabling a wide range of applications from information retrieval to automated reasoning. In this paper, we conduct a systematic comparison…

机器学习 · 计算机科学 2025-07-31 Thanh Hoang-Minh

Graph neural networks (GNNs) have emerged as the state of the art for a variety of graph-related tasks and have been widely used in Heterogeneous Graphs (HetGs), where meta-paths help encode specific semantics between various node types.…

机器学习 · 计算机科学 2025-02-25 Xuqi Mao , Zhenying He , X. Sean Wang

Disease-gene association through Genome-wide association study (GWAS) is an arduous task for researchers. Investigating single nucleotide polymorphisms (SNPs) that correlate with specific diseases needs statistical analysis of associations.…

定量方法 · 定量生物学 2020-12-21 Sezin Kircali Ata , Min Wu , Yuan Fang , Le Ou-Yang , Chee Keong Kwoh , Xiao-Li Li

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering…

机器学习 · 计算机科学 2024-06-04 Zexi Liu , Bohan Tang , Ziyuan Ye , Xiaowen Dong , Siheng Chen , Yanfeng Wang

Predicting drug-gene associations is crucial for drug development and disease treatment. While graph neural networks (GNN) have shown effectiveness in this task, they face challenges with data sparsity and efficient contrastive learning…

机器学习 · 计算机科学 2025-02-14 Jiayang Wu , Wensheng Gan , Philip S. Yu

Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies…

机器学习 · 计算机科学 2025-04-14 Catarina Canastra , Cátia Pesquita

Multi-modal data comprising imaging (MRI, fMRI, PET, etc.) and non-imaging (clinical test, demographics, etc.) data can be collected together and used for disease prediction. Such diverse data gives complementary information about the…

机器学习 · 计算机科学 2018-12-27 Anees Kazi , S. Arvind krishna , Shayan Shekarforoush , Karsten Kortuem , Shadi Albarqouni , Nassir Navab