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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…

Machine Learning · Computer Science 2024-10-15 Avishek Bose , Guojing Cong

Graph machine learning (GML) has made great progress in node classification, link prediction, graph classification and so on. However, graphs in reality are often structurally imbalanced, that is, only a few hub nodes have a denser local…

Machine Learning · Computer Science 2023-03-27 Zulong Liu , Kejia-Chen , Zheng Liu

With the proliferation of Graph Neural Network (GNN) methods stemming from contrastive learning, unsupervised node representation learning for graph data is rapidly gaining traction across various fields, from biology to molecular dynamics,…

Machine Learning · Computer Science 2024-08-01 Jihee You , So Won Jeong , Claire Donnat

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of…

Machine Learning · Computer Science 2024-01-02 Derek Lim , Haggai Maron , Marc T. Law , Jonathan Lorraine , James Lucas

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

There is a rising need for computational models that can complementarily leverage data of different modalities while investigating associations between subjects for population-based disease analysis. Despite the success of convolutional…

Image and Video Processing · Electrical Eng. & Systems 2020-09-08 Yongxiang Huang , Albert C. S. Chung

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…

Social and Information Networks · Computer Science 2021-04-09 Islem Rekik , Mustafa Burak Gurbuz

Neural networks excel in detecting regular patterns but are less successful in representing and manipulating complex data structures, possibly due to the lack of an external memory. This has led to the recent development of a new line of…

Artificial Intelligence · Computer Science 2018-11-29 Trang Pham , Truyen Tran , Svetha Venkatesh

The paper utilizes the graph embeddings generated for entities of a large biomedical database to perform link prediction to capture various new relationships among different entities. A novel node similarity measure is proposed that…

Information Retrieval · Computer Science 2021-11-01 Prakhar Gurawa , Matthias Nickles

The so-called gut-brain axis has stimulated extensive research on microbiomes. One focus is to assess the association between certain clinical outcomes and the relative abundances of gut microbes, which can be presented as sub-compositional…

Methodology · Statistics 2020-06-02 Xiaokang Liu , Xiaomei Cong , Gen Li , Kendra Maas , Kun Chen

Deep neural networks have enabled researchers to create powerful generalized frameworks, such as transformers, that can be used to solve well-studied problems in various application domains, such as text and image. However, such generalized…

Machine Learning · Computer Science 2025-02-12 Rudrajit Dawn , Madhusudan Ghosh , Partha Basuchowdhuri , Sudip Kumar Naskar

The goal of multi-modal learning is to use complimentary information on the relevant task provided by the multiple modalities to achieve reliable and robust performance. Recently, deep learning has led significant improvement in multi-modal…

Computer Vision and Pattern Recognition · Computer Science 2018-11-05 Jaekyum Kim , Junho Koh , Yecheol Kim , Jaehyung Choi , Youngbae Hwang , Jun Won Choi

Learning powerful data embeddings has become a center piece in machine learning, especially in natural language processing and computer vision domains. The crux of these embeddings is that they are pretrained on huge corpus of data in a…

Machine Learning · Computer Science 2019-11-28 Saurabh Verma , Zhi-Li Zhang

Laboratory testing and medication prescription are two of the most important routines in daily clinical practice. Developing an artificial intelligence system that can automatically make lab test imputations and medication recommendations…

Machine Learning · Computer Science 2022-02-07 Chengsheng Mao , Liang Yao , Yuan Luo

Microbiome research has immense potential for unlocking insights into human health and disease. A common goal in human microbiome research is identifying subgroups of individuals with similar microbial composition that may be linked to…

Methodology · Statistics 2025-08-21 Suppapat Korsurat , Matthew D. Koslovsky

Bayesian nonparametric mixtures and random partition models are powerful tools for probabilistic clustering. However, standard independent mixture models can be restrictive in some applications such as inference on cell lineage due to the…

Methodology · Statistics 2025-07-15 Giovanni Rebaudo , Peter Mueller

Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies…

Machine Learning · Computer Science 2025-04-14 Catarina Canastra , Cátia Pesquita

Spectral clustering is an effective methodology for unsupervised learning. Most traditional spectral clustering algorithms involve a separate two-step procedure and apply the transformed new representations for the final clustering results.…

Computer Vision and Pattern Recognition · Computer Science 2022-12-05 Liangchen Liu , Qiuhong Ke , Chaojie Li , Feiping Nie , Yingying Zhu

Dynamic multi-relational graphs are an expressive relational representation for data enclosing entities and relations of different types, and where relationships are allowed to vary in time. Addressing predictive tasks over such data…

Machine Learning · Computer Science 2024-03-19 Asma Sattar , Georgios Deligiorgis , Marco Trincavelli , Davide Bacciu

Malware detection in modern computing environments demands models that are not only accurate but also interpretable and robust to evasive techniques. Graph neural networks (GNNs) have shown promise in this domain by modeling rich structural…

Cryptography and Security · Computer Science 2026-05-26 Hossein Shokouhinejad , Roozbeh Razavi-Far , Griffin Higgins , Ali A Ghorbani