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Graph neural networks (GNNs) are increasingly used to model biological systems, yet the reliability of post-hoc explanation methods for recovering meaningful molecular mechanisms remains unclear. Here, we systematically evaluate four widely…

Molecular Networks · Quantitative Biology 2026-05-22 Kyle Higgins , Ivan Laponogov , Dennis Veselkov , Kirill Veselkov

Retrieval-augmented generation (RAG) has proven effective in integrating knowledge into large language models (LLMs). However, conventional RAGs struggle to capture complex relationships between pieces of knowledge, limiting their…

Information Retrieval · Computer Science 2025-12-12 Linhao Luo , Zicheng Zhao , Gholamreza Haffari , Dinh Phung , Chen Gong , Shirui Pan

Retrieval-Augmented Generation (RAG) systems for biomedical literature are typically evaluated using ranking metrics like Mean Reciprocal Rank (MRR), which measure how well the system identifies the single most relevant chunk. We argue that…

Artificial Intelligence · Computer Science 2026-03-25 Pouria Mortezaagha , Arya Rahgozar

Graph Neural Networks (GNNs) excel at modeling relational data but face significant challenges in high-stakes domains due to unquantified uncertainty. Conformal prediction (CP) offers statistical coverage guarantees, but existing methods…

Machine Learning · Computer Science 2025-06-10 Zheng Zhang , Jie Bao , Zhixin Zhou , Nicolo Colombo , Lixin Cheng , Rui Luo

In recent years, graph neural networks (GNNs) have emerged as a potent tool for learning on graph-structured data and won fruitful successes in varied fields. The majority of GNNs follow the message-passing paradigm, where representations…

Machine Learning · Computer Science 2024-08-30 Yurui Lai , Xiaoyang Lin , Renchi Yang , Hongtao Wang

This study aims to optimize the existing retrieval-augmented generation model (RAG) by introducing a graph structure to improve the performance of the model in dealing with complex knowledge reasoning tasks. The traditional RAG model has…

Information Retrieval · Computer Science 2024-11-07 Yuxin Dong , Shuo Wang , Hongye Zheng , Jiajing Chen , Zhenhong Zhang , Chihang Wang

We present a novel graph neural network (GNN) architecture for retrieval-augmented generation (RAG) that leverages query-aware attention mechanisms and learned scoring heads to improve retrieval accuracy on complex, multi-hop questions.…

Information Retrieval · Computer Science 2025-08-11 Vibhor Agrawal , Fay Wang , Rishi Puri

In recent years, Graph Neural Networks (GNNs) have shown superior performance on diverse real-world applications. To improve the model capacity, besides designing aggregation operations, GNN topology design is also very important. In…

Machine Learning · Computer Science 2022-02-02 Lanning Wei , Huan Zhao , Zhiqiang He

Graph Neural Networks (GNNs) have become essential in interpreting relational data across various domains, yet, they often struggle to generalize to unseen graph data that differs markedly from training instances. In this paper, we…

Machine Learning · Computer Science 2024-12-10 Xinke Jiang , Rihong Qiu , Yongxin Xu , Wentao Zhang , Yichen Zhu , Ruizhe Zhang , Yuchen Fang , Xu Chu , Junfeng Zhao , Yasha Wang

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

Graph Foundation Models (GFMs) have emerged as a frontier in graph learning, which are expected to deliver transferable representations across diverse tasks. However, GFMs remain constrained by in-memory bottlenecks: they attempt to encode…

Machine Learning · Computer Science 2026-01-27 Haonan Yuan , Qingyun Sun , Jiacheng Tao , Xingcheng Fu , Jianxin Li

Retrieval augmented generation has revolutionized large language model (LLM) outputs by providing factual supports. Nevertheless, it struggles to capture all the necessary knowledge for complex reasoning questions. Existing retrieval…

Computation and Language · Computer Science 2024-10-21 Zijian Li , Qingyan Guo , Jiawei Shao , Lei Song , Jiang Bian , Jun Zhang , Rui Wang

Graph neural networks (GNNs) have emerged as a powerful tool for graph classification and representation learning. However, GNNs tend to suffer from over-smoothing problems and are vulnerable to graph perturbations. To address these…

Machine Learning · Computer Science 2021-11-01 Yuzhou Chen , Baris Coskunuzer , Yulia R. Gel

Graph Neural Networks (GNNs) are widely adopted in Web-related applications, serving as a core technique for learning from graph-structured data, such as text-attributed graphs. Yet in real-world scenarios, such graphs exhibit deficiencies…

Machine Learning · Computer Science 2025-10-03 Zhaoyan Wang , Zheng Gao , Arogya Kharel , In-Young Ko

Graph Neural Networks (GNNs) have led to state-of-the-art performance on a variety of machine learning tasks such as recommendation, node classification and link prediction. Graph neural network models generate node embeddings by merging…

Machine Learning · Computer Science 2020-11-04 Yunpeng Weng , Xu Chen , Liang Chen , Wei Liu

The escalating complexity of network threats and the inherent class imbalance in traffic data present formidable challenges for modern Intrusion Detection Systems (IDS). While Graph Neural Networks (GNNs) excel in modeling topological…

Machine Learning · Computer Science 2026-04-15 Tianxiang Xu , Zhichao Wen , Xinyu Zhao , Qi Hu , Yan Li , Chang Liu

Graph Neural Networks (GNNs) are effective tools for graph representation learning. Most GNNs rely on a recursive neighborhood aggregation scheme, named message passing, thereby their theoretical expressive power is limited to the…

Machine Learning · Computer Science 2023-09-19 Dingmin Wang , Shengchao Liu , Hanchen Wang , Bernardo Cuenca Grau , Linfeng Song , Jian Tang , Song Le , Qi Liu

Graph Neural Networks (GNN) have emerged as a popular and standard approach for learning from graph-structured data. The literature on GNN highlights the potential of this evolving research area and its widespread adoption in real-life…

Machine Learning · Computer Science 2024-03-25 Sukhdeep Singh , Anuj Sharma , Vinod Kumar Chauhan

Retrieval-augmented generation (RAG) is a powerful technique that enhances downstream task execution by retrieving additional information, such as knowledge, skills, and tools from external sources. Graph, by its intrinsic "nodes connected…

Graph classification is an important learning task for graph-structured data. Graph neural networks (GNNs) have recently gained growing attention in graph learning and have shown significant improvements in many important graph problems.…

Machine Learning · Computer Science 2024-01-31 Tao Wen , Elynn Chen , Yuzhou Chen
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