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Omics data analysis is crucial for studying complex diseases, but its high dimensionality and heterogeneity challenge classical statistical and machine learning methods. Graph neural networks have emerged as promising alternatives, yet the…

Multimodal Attributed Graphs (MAGs) are ubiquitous in real-world applications, encompassing extensive knowledge through multimodal attributes attached to nodes (e.g., texts and images) and topological structure representing node…

Machine Learning · Computer Science 2025-02-28 Hao Yan , Chaozhuo Li , Jun Yin , Zhigang Yu , Weihao Han , Mingzheng Li , Zhengxin Zeng , Hao Sun , Senzhang Wang

Mesh-based graph neural networks (GNNs) have become effective surrogates for PDE simulations, yet their deep message passing incurs high cost and over-smoothing on large, long-range meshes; hierarchical GNNs shorten propagation paths but…

Machine Learning · Computer Science 2025-09-16 Bo Lei , Victor M. Castillo , Yeping Hu

Multi-sourced datasets are common in studies of variable interactions, for example, individual-level fMRI integration, cross-domain recommendation, etc, where each source induces a related but distinct dependency structure. Joint learning…

Methodology · Statistics 2025-12-08 Shixiang Liu , Yanhang Zhang , Zhifan Li , Jianxin Yin

We investigate molecular mechanisms of resistant or sensitive response of cancer drug combination therapies in an inductive and interpretable manner. Though deep learning algorithms are widely used in the drug synergy prediction problem, it…

Machine Learning · Computer Science 2021-05-18 Zehao Dong , Heming Zhang , Yixin Chen , Fuhai Li

With the arrival of the big data era, more and more data are becoming readily available in various real-world applications and those data are usually highly heterogeneous. Taking computational medicine as an example, we have both Electronic…

Machine Learning · Computer Science 2019-05-08 Xi Sheryl Zhang , Jingyuan Chou , Fei Wang

In this paper, we present XST-GCNN (eXplainable Spatio-Temporal Graph Convolutional Neural Network), a novel architecture for processing heterogeneous and irregular Multivariate Time Series (MTS) data. Our approach captures temporal and…

Machine Learning · Computer Science 2024-11-05 Óscar Escudero-Arnanz , Cristina Soguero-Ruiz , Antonio G. Marques

Motivation: Biomedical knowledge graphs (KGs) are crucial for drug discovery and disease understanding, yet their completion and reasoning are challenging. Knowledge Embedding (KE) methods capture global semantics but struggle with dynamic…

Artificial Intelligence · Computer Science 2025-07-23 Yitong Lin , Jiaying He , Jiahe Chen , Xinnan Zhu , Jianwei Zheng , Tao Bo

Interpretability in Graph Convolutional Networks (GCNs) has been explored to some extent in computer vision in general, yet, in the medical domain, it requires further examination. Moreover, most of the interpretability approaches for GCNs,…

Computer Vision and Pattern Recognition · Computer Science 2021-03-30 Anees Kazi , Soroush Farghadani , Nassir Navab

Graph Neural Networks (GNNs) have been widely used for the representation learning of various structured graph data. While promising, most existing GNNs oversimplified the complexity and diversity of the edges in the graph, and thus…

Machine Learning · Computer Science 2021-10-07 Hao Peng , Ruitong Zhang , Yingtong Dou , Renyu Yang , Jingyi Zhang , Philip S. Yu

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

Machine Learning · Computer Science 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

Graph neural networks (GNNs) are becoming increasingly popular in the medical domain for the tasks of disease classification and outcome prediction. Since patient data is not readily available as a graph, most existing methods either…

Computer Vision and Pattern Recognition · Computer Science 2023-10-05 Nithya Bhasker , Stefan Leger , Alexander Zwanenburg , Chethan Babu Reddy , Sebastian Bodenstedt , Steffen Löck , Stefanie Speidel

Multimodal recommendation enhances ranking by integrating user-item interactions with item content, which is particularly effective under sparse feedback and long-tail distributions. However, multimodal signals are inherently heterogeneous…

Artificial Intelligence · Computer Science 2026-02-27 Ji Dai , Quan Fang , Dengsheng Cai

Multi-label text classification (MLTC) is an attractive and challenging task in natural language processing (NLP). Compared with single-label text classification, MLTC has a wider range of applications in practice. In this paper, we propose…

Computation and Language · Computer Science 2022-05-24 Irene Li , Aosong Feng , Hao Wu , Tianxiao Li , Toyotaro Suzumura , Ruihai Dong

Graph Convolutional Network (GCN) has achieved extraordinary success in learning effective task-specific representations of nodes in graphs. However, regarding Heterogeneous Information Network (HIN), existing HIN-oriented GCN methods still…

Machine Learning · Computer Science 2021-09-09 Yaming Yang , Ziyu Guan , Jianxin Li , Wei Zhao , Jiangtao Cui , Quan Wang

Graphs with abundant attributes are essential in modeling interconnected entities and enhancing predictions across various real-world applications. Traditional Graph Neural Networks (GNNs) often require re-training for different graph tasks…

Computation and Language · Computer Science 2026-05-26 Yanchao Tan , Hang Lv , Pengxiang Zhan , Shiping Wang , Carl Yang

Discovering distinct features and their relations from data can help us uncover valuable knowledge crucial for various tasks, e.g., classification. In neuroimaging, these features could help to understand, classify, and possibly prevent…

Machine Learning · Computer Science 2022-02-15 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Synergistic drug combinations provide huge potentials to enhance therapeutic efficacy and to reduce adverse reactions. However, effective and synergistic drug combination prediction remains an open question because of the unknown causal…

Quantitative Methods · Quantitative Biology 2023-08-24 Zehao Dong , Heming Zhang , Yixin Chen , Philip R. O. Payne , Fuhai Li

Deep learning models have demonstrated remarkable results for various computer vision tasks, including the realm of medical imaging. However, their application in the medical domain is limited due to the requirement for large amounts of…

Computer Vision and Pattern Recognition · Computer Science 2023-11-14 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

This work presents a novel graph neural network (GNN) architecture, the Feature-specific Interpretable Graph Neural Network (FIGNN), designed to enhance the interpretability of deep learning surrogate models defined on unstructured grids in…

Machine Learning · Computer Science 2025-06-16 Riddhiman Raut , Romit Maulik , Shivam Barwey
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