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Retrieval-augmented generation (RAG) has demonstrated its ability to enhance Large Language Models (LLMs) by integrating external knowledge sources. However, multi-hop questions, which require the identification of multiple knowledge…

Machine Learning · Computer Science 2026-04-28 Yuchen Yan , Peiyan Zhang , Zhihua Liu , Hao Wang , Yatao Bian , Weiming Li , Xiaoshuai Hao

Graph Neural Networks (GNNs) have emerged as a prominent framework for graph mining, leading to significant advances across various domains. Stemmed from the node-wise representations of GNNs, existing explanation studies have embraced the…

Machine Learning · Computer Science 2024-07-03 Yuwen Wang , Shunyu Liu , Tongya Zheng , Kaixuan Chen , Mingli Song

Heterogeneous Graphs (HGs) effectively model complex relationships in the real world through multi-type nodes and edges. In recent years, inspired by self-supervised learning (SSL), contrastive learning (CL)-based Heterogeneous Graphs…

Machine Learning · Computer Science 2025-05-06 Yu Wang , Lei Sang , Yi Zhang , Yiwen Zhang , Xindong Wu

The growing adoption of Graph Neural Networks (GNNs) in high-stakes domains like healthcare and finance demands reliable explanations of their decision-making processes. While inherently interpretable GNN architectures like Graph…

Machine Learning · Computer Science 2025-05-27 Rishabh Bhattacharya , Hari Shankar , Vaishnavi Shivkumar , Ponnurangam Kumaraguru

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Machine Learning · Computer Science 2023-09-25 Yuecheng Cai , Jasmin Jelovica

The current studies of Scene Graph Generation (SGG) focus on solving the long-tailed problem for generating unbiased scene graphs. However, most de-biasing methods overemphasize the tail predicates and underestimate head ones throughout…

Computer Vision and Pattern Recognition · Computer Science 2022-07-19 Chaofan Zheng , Lianli Gao , Xinyu Lyu , Pengpeng Zeng , Abdulmotaleb El Saddik , Heng Tao Shen

Biological systems are governed by structured molecular interactions, where pathways, regulatory circuits, and functional gene relationships shape cellular behavior and disease progression. Much of this knowledge is naturally represented as…

Machine Learning · Computer Science 2026-05-26 Yuwei Xue , Sakib Mostafa , James Zou , Joseph Liao , Maximilian Diehn , Ash A. Alizadeh , Lei Xing , Md. Tauhidul Islam

Given the input graph and its label/property, several key problems of graph learning, such as finding interpretable subgraphs, graph denoising and graph compression, can be attributed to the fundamental problem of recognizing a subgraph of…

Machine Learning · Computer Science 2020-10-13 Junchi Yu , Tingyang Xu , Yu Rong , Yatao Bian , Junzhou Huang , Ran He

Drug synergy prediction (DSP) aims to identify efficacious drug combinations under various cellular contexts with different targets. However, the continual emergence of novel compounds results in variations in molecular scaffolds and sizes,…

Machine Learning · Computer Science 2026-05-29 Xin Wang , Linxin Xiao , Yang Yao , Wenwu Zhu

The integration of knowledge graphs and graph machine learning (GML) in genomic data analysis offers several opportunities for understanding complex genetic relationships, especially at the RNA level. We present a comprehensive approach for…

Artificial Intelligence · Computer Science 2024-08-06 Shivika Prasanna , Ajay Kumar , Deepthi Rao , Eduardo Simoes , Praveen Rao

The emergence of Graph Convolutional Network (GCN) has greatly boosted the progress of graph learning. However, two disturbing factors, noise and redundancy in graph data, and lack of interpretation for prediction results, impede further…

Machine Learning · Computer Science 2021-03-23 Junchi Yu , Tingyang Xu , Yu Rong , Yatao Bian , Junzhou Huang , Ran He

Text classification plays an important role in various downstream text-related tasks, such as sentiment analysis, fake news detection, and public opinion analysis. Recently, text classification based on Graph Neural Networks (GNNs) has made…

Computation and Language · Computer Science 2025-12-24 Zuo Wang , Ye Yuan

Predicting genetic perturbations enables the identification of potentially crucial genes prior to wet-lab experiments, significantly improving overall experimental efficiency. Since genes are the foundation of cellular life, building gene…

Quantitative Methods · Quantitative Biology 2025-05-09 Changxi Chi , Jun Xia , Jingbo Zhou , Jiabei Cheng , Chang Yu , Stan Z. Li

Dynamic graphs exhibit intertwined spatio-temporal evolutionary patterns, widely existing in the real world. Nevertheless, the structure incompleteness, noise, and redundancy result in poor robustness for Dynamic Graph Neural Networks…

Machine Learning · Computer Science 2024-12-20 Haonan Yuan , Qingyun Sun , Zhaonan Wang , Xingcheng Fu , Cheng Ji , Yongjian Wang , Bo Jin , Jianxin Li

Graph Neural Networks (GNNs) are a popular class of machine learning models. Inspired by the learning to explain (L2X) paradigm, we propose L2XGNN, a framework for explainable GNNs which provides faithful explanations by design. L2XGNN…

Machine Learning · Computer Science 2024-06-17 Giuseppe Serra , Mathias Niepert

Latent Graph Inference (LGI) relaxed the reliance of Graph Neural Networks (GNNs) on a given graph topology by dynamically learning it. However, most of LGI methods assume to have a (noisy, incomplete, improvable, ...) input graph to rewire…

Machine Learning · Computer Science 2023-08-04 Claudio Battiloro , Indro Spinelli , Lev Telyatnikov , Michael Bronstein , Simone Scardapane , Paolo Di Lorenzo

This paper focuses on learning representation on the whole graph level in an unsupervised manner. Learning graph-level representation plays an important role in a variety of real-world issues such as molecule property prediction, protein…

Machine Learning · Computer Science 2024-01-08 Ge Wang , Zelin Zang , Jiangbin Zheng , Jun Xia , Stan Z. Li

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Machine Learning · Computer Science 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

Various deep learning techniques have been proposed to solve the single-view 2D-to-3D pose estimation problem. While the average prediction accuracy has been improved significantly over the years, the performance on hard poses with depth…

Computer Vision and Pattern Recognition · Computer Science 2021-08-18 Ailing Zeng , Xiao Sun , Lei Yang , Nanxuan Zhao , Minhao Liu , Qiang Xu

In this paper, we propose an end-to-end graph learning framework, namely Deep Iterative and Adaptive Learning for Graph Neural Networks (DIAL-GNN), for jointly learning the graph structure and graph embeddings simultaneously. We first cast…

Machine Learning · Computer Science 2019-12-18 Yu Chen , Lingfei Wu , Mohammed J. Zaki
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