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Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to…

机器学习 · 计算机科学 2020-02-20 Weihua Hu , Bowen Liu , Joseph Gomes , Marinka Zitnik , Percy Liang , Vijay Pande , Jure Leskovec

While AI systems have made remarkable progress in processing unstructured text, structured data such as graphs stored in databases, continues to grow rapidly yet remains difficult for neural models to effectively utilize. We introduce…

数据库 · 计算机科学 2026-03-09 Yufei Li , Yisen Gao , Jiaxin Bai , Jiaxuan Xiong , Haoyu Huang , Zhongwei Xie , Hong Ting Tsang , Yangqiu Song

Maintaining a balanced diet is essential for overall health, yet many individuals struggle with meal planning due to nutritional complexity, time constraints, and lack of dietary knowledge. Personalized food recommendations can help address…

人工智能 · 计算机科学 2025-12-16 Saman Khamesian , Asiful Arefeen , Stephanie M. Carpenter , Hassan Ghasemzadeh

Graph neural networks have emerged as a promising approach for the analysis of non-Euclidean data such as meshes. In medical imaging, mesh-like data plays an important role for modelling anatomical structures, and shape classification can…

计算机视觉与模式识别 · 计算机科学 2022-11-01 Nairouz Shehata , Wulfie Bain , Ben Glocker

This paper studies semi-supervised graph classification, a crucial task with a wide range of applications in social network analysis and bioinformatics. Recent works typically adopt graph neural networks to learn graph-level representations…

机器学习 · 计算机科学 2023-04-25 Wei Ju , Xiao Luo , Meng Qu , Yifan Wang , Chong Chen , Minghua Deng , Xian-Sheng Hua , Ming Zhang

Graph deep learning (GDL) has demonstrated impressive performance in predicting population-based brain disorders (BDs) through the integration of both imaging and non-imaging data. However, the effectiveness of GDL based methods heavily…

计算机视觉与模式识别 · 计算机科学 2025-03-31 Luhui Cai , Weiming Zeng , Hongyu Chen , Hua Zhang , Yueyang Li , Yu Feng , Hongjie Yan , Lingbin Bian , Wai Ting Siok , Nizhuan Wang

Recently Graph Neural Network (GNN) has been applied successfully to various NLP tasks that require reasoning, such as multi-hop machine reading comprehension. In this paper, we consider a novel case where reasoning is needed over graphs…

计算与语言 · 计算机科学 2020-04-13 Ming Tu , Jing Huang , Xiaodong He , Bowen Zhou

Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key…

生物大分子 · 定量生物学 2023-09-25 Yang Wang , Zanyu Shi , Timothy Richardson , Kun Huang , Pathum Weerawarna , Yijie Wang

Graph mining is an important area in data mining and machine learning that involves extracting valuable information from graph-structured data. In recent years, significant progress has been made in this field through the development of…

机器学习 · 计算机科学 2024-12-30 Yuxin You , Zhen Liu , Xiangchao Wen , Yongtao Zhang , Wei Ai

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

机器学习 · 计算机科学 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Graph Neural Networks (GNNs) have become mainstream methods for solving the semi-supervised node classification problem. However, due to the uneven location distribution of labeled nodes in the graph, labeled nodes are only accessible to a…

机器学习 · 计算机科学 2023-12-22 Weigang Lu , Ziyu Guan , Wei Zhao , Yaming Yang , Long Jin

Graph neural networks (GNNs) have emerged as one of the most effective ML techniques for drug effect prediction from drug molecular graphs. Despite having immense potential, GNN models lack performance when using datasets that contain…

机器学习 · 计算机科学 2024-10-15 Avishek Bose , Guojing Cong

Diet plays a central role in human health, and Nutrition Question Answering (QA) offers a promising path toward personalized dietary guidance and the prevention of diet-related chronic diseases. However, existing methods face two…

计算与语言 · 计算机科学 2025-10-14 Kaiwen Shi , Zheyuan Zhang , Zhengqing Yuan , Keerthiram Murugesan , Vincent Galass , Chuxu Zhang , Yanfang Ye

In genome-scale constraint-based metabolic models, gene deletion strategies are essential for achieving growth-coupled production, where cell growth and target metabolite synthesis occur simultaneously. Despite the inherently networked…

定量方法 · 定量生物学 2026-04-10 Ziwei Yang , Takeyuki Tamura

In recent years, graph neural networks (GNNs) have facilitated the development of graph data mining. However, training GNNs requires sufficient labeled task-specific data, which is expensive and sometimes unavailable. To be less dependent…

机器学习 · 计算机科学 2025-10-15 Shengyin Sun , Chen Ma , Jiehao Chen

Objective: In modern healthcare, accurately predicting diseases is a crucial matter. This study introduces a novel approach using graph neural networks (GNNs) and a Graph Transformer (GT) to predict the incidence of heart failure (HF) on a…

机器学习 · 计算机科学 2025-06-23 Heloisa Oss Boll , Ali Amirahmadi , Amira Soliman , Stefan Byttner , Mariana Recamonde-Mendoza

Recent advances in Vision-Language Models (VLMs) have shown promising capabilities in interpreting visualized graph data, offering a new perspective for graph-structured reasoning beyond traditional Graph Neural Networks (GNNs). However,…

人工智能 · 计算机科学 2026-04-27 Qihang Ai , Ruizhou Li , Menghui Wang , Haiyun Jiang

Graph neural networks (GNNs) achieve remarkable success in graph-based semi-supervised node classification, leveraging the information from neighboring nodes to improve the representation learning of target node. The success of GNNs at node…

机器学习 · 计算机科学 2020-07-28 Bingbing Xu , Junjie Huang , Liang Hou , Huawei Shen , Jinhua Gao , Xueqi Cheng

Graph network science is becoming increasingly popular, notably in big-data perspective where understanding individual entities for individual functional roles is complex and time consuming. It is likely when a set of genes are regulated by…

基因组学 · 定量生物学 2021-03-11 Abhishek Narain Singh

Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

机器学习 · 计算机科学 2025-09-30 Yuehua Song , Yong Gao