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Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

It is known that the inconsistent distribution and representation of different modalities, such as image and text, cause the heterogeneity gap that makes it challenging to correlate such heterogeneous data. Generative adversarial networks…

Multimedia · Computer Science 2018-04-27 Yuxin Peng , Jinwei Qi , Yuxin Yuan

Convolutional neural networks (CNNs) leverage the great power in representation learning on regular grid data such as image and video. Recently, increasing attention has been paid on generalizing CNNs to graph or network data which is…

Social and Information Networks · Computer Science 2018-08-21 Yao Ma , Suhang Wang , Charu C. Aggarwal , Dawei Yin , Jiliang Tang

While Graph Neural Network (GNN) has shown superiority in learning node representations of homogeneous graphs, leveraging GNN on heterogeneous graphs remains a challenging problem. The dominating reason is that GNN learns node…

Social and Information Networks · Computer Science 2020-09-22 Ziyue Qiao , Pengyang Wang , Yanjie Fu , Yi Du , Pengfei Wang , Yuanchun Zhou

Benefiting from the powerful expressive capability of graphs, graph-based approaches have achieved impressive performance in various biomedical applications. Most existing methods tend to define the adjacency matrix among samples manually…

Machine Learning · Computer Science 2021-07-02 Shuai Zheng , Zhenfeng Zhu , Zhizhe Liu , Zhenyu Guo , Yang Liu , Yao Zhao

Molecular graph neural networks (GNNs) often focus exclusively on XYZ-based geometric representations and thus overlook valuable chemical context available in public databases like PubChem. This work introduces a multimodal framework that…

Machine Learning · Computer Science 2025-05-20 Can Polat , Hasan Kurban , Erchin Serpedin , Mustafa Kurban

This paper introduces a novel Functional Graph Convolutional Network (funGCN) framework that combines Functional Data Analysis and Graph Convolutional Networks to address the complexities of multi-task and multi-modal learning in digital…

Machine Learning · Computer Science 2024-09-11 Tobia Boschi , Francesca Bonin , Rodrigo Ordonez-Hurtado , Cécile Rousseau , Alessandra Pascale , John Dinsmore

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…

Quantitative Methods · Quantitative Biology 2026-04-10 Ziwei Yang , Takeyuki Tamura

Graphs and networks are a key research tool for a variety of science fields, most notably chemistry, biology, engineering and social sciences. Modeling and generation of graphs with efficient sampling is a key challenge for graphs. In…

Machine Learning · Computer Science 2019-09-26 Ruud van Deursen , Guillaume Godin

In many applications involving multi-media data, the definition of similarity between items is integral to several key tasks, e.g., nearest-neighbor retrieval, classification, and recommendation. Data in such regimes typically exhibits…

Artificial Intelligence · Computer Science 2010-09-01 Brian McFee , Gert Lanckriet

The integration of different imaging modalities, such as structural, diffusion tensor, and functional magnetic resonance imaging, with deep learning models has yielded promising outcomes in discerning phenotypic characteristics and…

Image and Video Processing · Electrical Eng. & Systems 2024-10-08 Zhiyuan Li , Hailong Li , Anca L. Ralescu , Jonathan R. Dillman , Mekibib Altaye , Kim M. Cecil , Nehal A. Parikh , Lili He

The Gaussian graphical model is a widely used tool for learning gene regulatory networks with high-dimensional gene expression data. Most existing methods for Gaussian graphical models assume that the data are homogeneous, i.e., all samples…

Methodology · Statistics 2018-05-08 Bochao Jia , Faming Liang

Graph representation learning based on graph neural networks (GNNs) can greatly improve the performance of downstream tasks, such as node and graph classification. However, the general GNN models do not aggregate node information in a…

Machine Learning · Computer Science 2020-07-30 Fei Ding , Xiaohong Zhang , Justin Sybrandt , Ilya Safro

Multimodal learning combines multiple data modalities, broadening the types and complexity of data our models can utilize: for example, from plain text to image-caption pairs. Most multimodal learning algorithms focus on modeling simple…

Artificial Intelligence · Computer Science 2023-10-13 Minji Yoon , Jing Yu Koh , Bryan Hooi , Ruslan Salakhutdinov

Existing foundation models, such as CLIP, aim to learn a unified embedding space for multimodal data, enabling a wide range of downstream web-based applications like search, recommendation, and content classification. However, these models…

Machine Learning · Computer Science 2025-04-28 Yufei He , Yuan Sui , Xiaoxin He , Yue Liu , Yifei Sun , Bryan Hooi

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

Deep Neural Networks have shown tremendous success in the area of object recognition, image classification and natural language processing. However, designing optimal Neural Network architectures that can learn and output arbitrary graphs…

Machine Learning · Computer Science 2019-07-02 Mital Kinderkhedia

Multi-view learning has progressed rapidly in recent years. Although many previous studies assume that each instance appears in all views, it is common in real-world applications for instances to be missing from some views, resulting in…

Machine Learning · Computer Science 2022-08-30 Pengfei Zhu , Xinjie Yao , Yu Wang , Meng Cao , Binyuan Hui , Shuai Zhao , Qinghua Hu

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Biomedical Knowledge Graphs (BKGs) integrate diverse datasets to elucidate complex relationships within the biomedical field. Effective link prediction on these graphs can uncover valuable connections, such as potential novel drug-disease…

Computation and Language · Computer Science 2025-07-01 Tien Dang , Viet Thanh Duy Nguyen , Minh Tuan Le , Truong-Son Hy