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相关论文: MOTGNN: Interpretable Graph Neural Networks for Mu…

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Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

机器学习 · 计算机科学 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Motivation: Multi-omics integration can improve cancer subtyping, but modality informativeness and noise vary across cancer types and patients. Existing graph-based methods optimize modality weights jointly with the classification objective…

机器学习 · 计算机科学 2026-04-28 Boyang Fan , Hengchuang Yin , Siyu Yi , Yifan Wang , Zhicheng Li , Leijiyu Zhou , Jiancheng Lv , Wei Ju

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

生物大分子 · 定量生物学 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Benefiting from the powerful expressive capability of graphs, graph-based approaches have been popularly applied to handle multi-modal medical data and achieved impressive performance in various biomedical applications. For disease…

机器学习 · 计算机科学 2022-03-14 Shuai Zheng , Zhenfeng Zhu , Zhizhe Liu , Zhenyu Guo , Yang Liu , Yuchen Yang , Yao Zhao

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of…

机器学习 · 计算机科学 2026-02-02 Zahra Moslemi , Ziyi Liang , Norbert Fortin , Babak Shahbaba

The accurate diagnosis of Alzheimer's disease (AD) and prognosis of mild cognitive impairment (MCI) conversion are crucial for early intervention. However, existing multimodal methods face several challenges, from the heterogeneity of input…

机器学习 · 计算机科学 2025-03-20 Chenyu Liu , Luca Rossi

Graph Neural Networks (GNNs) have achieved promising performance in a variety of graph-focused tasks. Despite their success, however, existing GNNs suffer from two significant limitations: a lack of interpretability in their results due to…

机器学习 · 统计学 2024-11-19 Wenzhuo Zhou , Annie Qu , Keiland W. Cooper , Norbert Fortin , Babak Shahbaba

Interpretable brain network models for disease prediction are of great value for the advancement of neuroscience. GNNs are promising to model complicated network data, but they are prone to overfitting and suffer from poor interpretability,…

机器学习 · 计算机科学 2021-07-13 Hejie Cui , Wei Dai , Yanqiao Zhu , Xiaoxiao Li , Lifang He , Carl Yang

We propose the molecular omics network (MOOMIN) a multimodal graph neural network used by AstraZeneca oncologists to predict the synergy of drug combinations for cancer treatment. Our model learns drug representations at multiple scales…

机器学习 · 计算机科学 2022-08-09 Benedek Rozemberczki , Anna Gogleva , Sebastian Nilsson , Gavin Edwards , Andriy Nikolov , Eliseo Papa

Interpretability is crucial to enhance trust in machine learning models for medical diagnostics. However, most state-of-the-art image classifiers based on neural networks are not interpretable. As a result, clinicians often resort to known…

Brain connectivity alternations associated with brain disorders have been widely reported in resting-state functional imaging (rs-fMRI) and diffusion tensor imaging (DTI). While many dual-modal fusion methods based on graph neural networks…

计算机视觉与模式识别 · 计算机科学 2024-11-14 Feiyu Yin , Yu Lei , Siyuan Dai , Wenwen Zeng , Guoqing Wu , Liang Zhan , Jinhua Yu

Clinicians are increasingly looking towards machine learning to gain insights about patient evolutions. We propose a novel approach named Multi-Modal UMLS Graph Learning (MMUGL) for learning meaningful representations of medical concepts…

机器学习 · 计算机科学 2024-02-07 Manuel Burger , Gunnar Rätsch , Rita Kuznetsova

Mild Traumatic Brain Injury (mTBI) is a significant public health challenge due to its high prevalence and potential for long-term health effects. Despite Computed Tomography (CT) being the standard diagnostic tool for mTBI, it often yields…

图像与视频处理 · 电气工程与系统科学 2024-04-09 Hanem Ellethy , Viktor Vegh , Shekhar S. Chandra

The lack of interpretability in the field of medical image analysis has significant ethical and legal implications. Existing interpretable methods in this domain encounter several challenges, including dependency on specific models,…

计算机视觉与模式识别 · 计算机科学 2024-10-30 Lijie Hu , Songning Lai , Wenshuo Chen , Hongru Xiao , Hongbin Lin , Lu Yu , Jingfeng Zhang , Di Wang

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

社会与信息网络 · 计算机科学 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

Interpretable graph neural networks (XGNNs ) are widely adopted in various scientific applications involving graph-structured data. Existing XGNNs predominantly adopt the attention-based mechanism to learn edge or node importance for…

机器学习 · 计算机科学 2024-06-13 Yongqiang Chen , Yatao Bian , Bo Han , James Cheng

A large number of real-world graphs or networks are inherently heterogeneous, involving a diversity of node types and relation types. Heterogeneous graph embedding is to embed rich structural and semantic information of a heterogeneous…

社会与信息网络 · 计算机科学 2020-04-01 Xinyu Fu , Jiani Zhang , Ziqiao Meng , Irwin King

With the recent technological advances, biological datasets, often represented by networks (i.e., graphs) of interacting entities, proliferate with unprecedented complexity and heterogeneity. Although modern network science opens new…

社会与信息网络 · 计算机科学 2021-04-09 Islem Rekik , Mustafa Burak Gurbuz

Nowadays, numerous online platforms can be described as multi-modal heterogeneous networks (MMHNs), such as Douban's movie networks and Amazon's product review networks. Accurately categorizing nodes within these networks is crucial for…

机器学习 · 计算机科学 2025-06-23 Jiafan Li , Jiaqi Zhu , Liang Chang , Yilin Li , Miaomiao Li , Yang Wang , Hongan Wang

While deep learning has achieved great success in many fields, one common criticism about deep learning is its lack of interpretability. In most cases, the hidden units in a deep neural network do not have a clear semantic meaning or…

基因组学 · 定量生物学 2019-06-04 Tianle Ma , Aidong Zhang