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The problem of multilabel classification when the labels are related through a hierarchical categorization scheme occurs in many application domains such as computational biology. For example, this problem arises naturally when trying to…

Machine Learning · Computer Science 2012-05-14 Sara Mostafavi , Quaid Morris

Complex biological systems have been successfully modeled by biochemical and genetic interaction networks, typically gathered from high-throughput (HTP) data. These networks can be used to infer functional relationships between genes or…

Molecular Networks · Quantitative Biology 2015-04-13 Hyunghoon Cho , Bonnie Berger , Jian Peng

Understanding how the brain encodes stimuli has been a fundamental problem in computational neuroscience. Insights into this problem have led to the design and development of artificial neural networks that learn representations by…

Neurons and Cognition · Quantitative Biology 2025-12-04 Shubham Choudhary , Paul Masset , Demba Ba

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

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Feature interaction is crucial in predictive machine learning models, as it captures the relationships between features that influence model performance. In this work, we focus on pairwise interactions and investigate their importance in…

Machine Learning · Computer Science 2025-06-13 Phaphontee Yamchote , Saw Nay Htet Win , Chainarong Amornbunchornvej , Thanapon Noraset

Substring kernels are classical tools for representing biological sequences or text. However, when large amounts of annotated data are available, models that allow end-to-end training such as neural networks are often preferred. Links…

Machine Learning · Statistics 2019-10-18 Dexiong Chen , Laurent Jacob , Julien Mairal

To understand a scene in depth not only involves locating/recognizing individual objects, but also requires to infer the relationships and interactions among them. However, since the distribution of real-world relationships is seriously…

Computer Vision and Pattern Recognition · Computer Science 2019-03-11 Tianshui Chen , Weihao Yu , Riquan Chen , Liang Lin

Relation prediction for knowledge graphs aims at predicting missing relationships between entities. Despite the importance of inductive relation prediction, most previous works are limited to a transductive setting and cannot process…

Artificial Intelligence · Computer Science 2021-07-27 Sijie Mai , Shuangjia Zheng , Yuedong Yang , Haifeng Hu

Knowledge graph reasoning is a critical task in natural language processing. The task becomes more challenging on temporal knowledge graphs, where each fact is associated with a timestamp. Most existing methods focus on reasoning at past…

Machine Learning · Computer Science 2020-10-08 Woojeong Jin , Meng Qu , Xisen Jin , Xiang Ren

In this paper, we benchmark several existing graph neural network (GNN) models on different datasets for link predictions. In particular, the graph convolutional network (GCN), GraphSAGE, graph attention network (GAT) as well as variational…

Machine Learning · Computer Science 2021-02-26 Xing Wang , Alexander Vinel

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

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Understanding a visual scene goes beyond recognizing individual objects in isolation. Relationships between objects also constitute rich semantic information about the scene. In this work, we explicitly model the objects and their…

Computer Vision and Pattern Recognition · Computer Science 2017-04-13 Danfei Xu , Yuke Zhu , Christopher B. Choy , Li Fei-Fei

Recent work on graph generative models has made remarkable progress towards generating increasingly realistic graphs, as measured by global graph features such as degree distribution, density, and clustering coefficients. Deep generative…

Machine Learning · Computer Science 2021-06-30 Kiarash Zahirnia , Ankita Sakhuja , Oliver Schulte , Parmis Nadaf , Ke Li , Xia Hu

We present a theoretically grounded Gaussian process framework that leverages neural feature maps to construct expressive kernels. We show that the learned feature map can be interpreted as an optimal low-rank approximation to a Gram matrix…

Machine Learning · Statistics 2026-05-12 Anthony Stephenson

This paper presents a novel graph-based kernel learning approach for connectome analysis. Specifically, we demonstrate how to leverage the naturally available structure within the graph representation to encode prior knowledge in the…

Image and Video Processing · Electrical Eng. & Systems 2022-02-23 Jun Yu , Zhaoming Kong , Aditya Kendre , Hao Peng , Carl Yang , Lichao Sun , Alex Leow , Lifang He

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Yunsheng Bai , Ken Gu , Yizhou Sun , Wei Wang

We present a novel methodology to jointly perform multi-task learning and infer intrinsic relationship among tasks by an interpretable and sparse graph. Unlike existing multi-task learning methodologies, the graph structure is not assumed…

Machine Learning · Computer Science 2020-09-15 Shujian Yu , Francesco Alesiani , Ammar Shaker , Wenzhe Yin

The advent of artificial intelligence, especially the progress of deep neural networks, is expected to revolutionize genetic research and offer unprecedented potential to decode the complex relationships between genetic variants and disease…

Quantitative Methods · Quantitative Biology 2023-12-13 Tingting Hou , Chang Jiang , Qing Lu
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