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Graphs are a powerful tool for representing and analyzing unstructured, non-Euclidean data ubiquitous in the healthcare domain. Two prominent examples are molecule property prediction and brain connectome analysis. Importantly, recent works…

机器学习 · 计算机科学 2022-04-04 Kamilia Mullakaeva , Luca Cosmo , Anees Kazi , Seyed-Ahmad Ahmadi , Nassir Navab , Michael M. Bronstein

Scene Graph Generation (SGG) aims to explore the relationships between objects in images and obtain scene summary graphs, thereby better serving downstream tasks. However, the long-tailed problem has adversely affected the scene graph's…

计算机视觉与模式识别 · 计算机科学 2024-07-30 Yansheng Li , Tingzhu Wang , Kang Wu , Linlin Wang , Xin Guo , Wenbin Wang

The task of data integration for multi-omics data has emerged as a powerful strategy to unravel the complex biological underpinnings of cancer. Recent advancements in graph neural networks (GNNs) offer an effective framework to model…

机器学习 · 计算机科学 2025-06-24 Payam Zohari , Mostafa Haghir Chehreghani

Graph contrastive learning (GCL) has garnered significant attention recently since it learns complex structural information from graphs through self-supervised learning manner. However, prevalent GCL models may suffer from performance…

机器学习 · 计算机科学 2025-04-28 Xiaofan Wei , Binyan Zhang

Recently, Graph Neural Networks (GNNs) have significantly advanced the performance of machine learning tasks on graphs. However, this technological breakthrough makes people wonder: how does a GNN make such decisions, and can we trust its…

机器学习 · 计算机科学 2024-02-26 Xiaoqi Wang , Han-Wei Shen

Accurate prediction of synthetic lethality (SL) is important for guiding the development of cancer drugs and therapies. SL prediction faces significant challenges in the effective fusion of heterogeneous multi-source data. Existing…

Efficient and effective drug-target binding affinity (DTBA) prediction is a challenging task due to the limited computational resources in practical applications and is a crucial basis for drug screening. Inspired by the good representation…

生物大分子 · 定量生物学 2022-06-15 Shuke Zhang , Yanzhao Jin , Tianmeng Liu , Qi Wang , Zhaohui Zhang , Shuliang Zhao , Bo Shan

Reasoning over visual relationships-spatial, functional, interactional, social, etc.-is considered to be a fundamental component of human cognition. Yet, despite the major advances in visual comprehension in multimodal language models…

计算机视觉与模式识别 · 计算机科学 2025-06-10 Jae Sung Park , Zixian Ma , Linjie Li , Chenhao Zheng , Cheng-Yu Hsieh , Ximing Lu , Khyathi Chandu , Quan Kong , Norimasa Kobori , Ali Farhadi , Yejin Choi , Ranjay Krishna

Graph Neural Networks (GNNs) have become increasingly ubiquitous in numerous applications and systems, necessitating explanations of their predictions, especially when making critical decisions. However, explaining GNNs is challenging due…

机器学习 · 计算机科学 2022-10-21 Tien-Cuong Bui , Van-Duc Le , Wen-syan Li , Sang Kyun Cha

Multi-scale biomedical knowledge networks are expanding with emerging experimental technologies that generates multi-scale biomedical big data. Link prediction is increasingly used especially in bipartite biomedical networks to identify…

社会与信息网络 · 计算机科学 2022-02-25 Jinjiang Guo , Jie Li , Dawei Leng , Lurong Pan

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

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

Graph-based personality detection constructs graph structures from textual data, particularly social media posts. Current methods often struggle with sparse or noisy data and rely on static graphs, limiting their ability to capture dynamic…

计算与语言 · 计算机科学 2025-04-04 Lingzhi Shen , Yunfei Long , Xiaohao Cai , Guanming Chen , Yuhan Wang , Imran Razzak , Shoaib Jameel

Graph Neural Networks (GNNs) achieve state-of-the-art performance in various graph-related tasks. However, the black-box nature often limits their interpretability and trustworthiness. Numerous explainability methods have been proposed to…

机器学习 · 计算机科学 2023-11-13 Jialin Chen , Kenza Amara , Junchi Yu , Rex Ying

The sequential recommendation systems capture users' dynamic behavior patterns to predict their next interaction behaviors. Most existing sequential recommendation methods only exploit the local context information of an individual…

信息检索 · 计算机科学 2022-06-08 Yixin Zhang , Yong Liu , Yonghui Xu , Hao Xiong , Chenyi Lei , Wei He , Lizhen Cui , Chunyan Miao

Predicting the effect of amino acid mutations on enzyme thermodynamic stability (DDG) is fundamental to protein engineering and drug design. While recent deep learning approaches have shown promise, they often process sequence and structure…

机器学习 · 计算机科学 2025-11-10 Abigail Lin

Generative paradigm, especially powered by Large Language Models (LLMs), has emerged as a new solution to the next point-of-interest (POI) recommendation. Pioneering studies usually adopt a two-stage pipeline, starting with a tokenizer…

信息检索 · 计算机科学 2025-09-17 Ke Sun , Mayi Xu

Recent studies have underscored the capabilities of natural imaging foundation models to serve as powerful feature extractors, even in a zero-shot setting for medical imaging data. Most commonly, a shallow multi-layer perceptron (MLP) is…

计算机视觉与模式识别 · 计算机科学 2024-07-25 Johannes Kiechle , Daniel M. Lang , Stefan M. Fischer , Lina Felsner , Jan C. Peeken , Julia A. Schnabel

Interpretability of deep learning is widely used to evaluate the reliability of medical imaging models and reduce the risks of inaccurate patient recommendations. For models exceeding human performance, e.g. predicting RNA structure from…

While dynamic graph neural networks have shown promise in various applications, explaining their predictions on continuous-time dynamic graphs (CTDGs) is difficult. This paper investigates a new research task: self-interpretable GNNs for…

机器学习 · 计算机科学 2024-05-30 Lanting Fang , Yulian Yang , Kai Wang , Shanshan Feng , Kaiyu Feng , Jie Gui , Shuliang Wang , Yew-Soon Ong