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Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

机器学习 · 计算机科学 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

Generative Flow Networks, or GFlowNets, offer a promising framework for molecular design, but their internal decision policies remain opaque. This limits adoption in drug discovery, where chemists require clear and interpretable rationales…

机器学习 · 计算机科学 2025-11-25 Amirtha Varshini A S , Duminda S. Ranasinghe , Hok Hei Tam

In light of the growing popularity of Exploratory Data Analysis (EDA), understanding the underlying causes of the knowledge acquired by EDA is crucial. However, it remains under-researched. This study promotes a transparent and explicable…

数据库 · 计算机科学 2023-05-31 Pingchuan Ma , Rui Ding , Shuai Wang , Shi Han , Dongmei Zhang

Graph neural networks (GNNs) are powerful graph-based deep-learning models that have gained significant attention and demonstrated remarkable performance in various domains, including natural language processing, drug discovery, and…

机器学习 · 计算机科学 2023-06-06 Jaykumar Kakkad , Jaspal Jannu , Kartik Sharma , Charu Aggarwal , Sourav Medya

Advances in machine learning have led to graph neural network-based methods for drug discovery, yielding promising results in molecular design, chemical synthesis planning, and molecular property prediction. However, current graph neural…

定量方法 · 定量生物学 2021-07-13 Jiahua Rao , Shuangjia Zheng , Yuedong Yang

We investigate the explainability of graph neural networks (GNNs) as a step toward elucidating their working mechanisms. While most current methods focus on explaining graph nodes, edges, or features, we argue that, as the inherent…

机器学习 · 计算机科学 2024-01-02 Shurui Gui , Hao Yuan , Jie Wang , Qicheng Lao , Kang Li , Shuiwang Ji

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

机器学习 · 计算机科学 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

Graph Neural Networks (GNNs) achieve outstanding performance across graph-based tasks but remain difficult to interpret. In this paper, we revisit foundational assumptions underlying model-level explanation methods for GNNs, namely: (1)…

机器学习 · 计算机科学 2025-06-10 Hsiao-Ying Lu , Yiran Li , Ujwal Pratap Krishna Kaluvakolanu Thyagarajan , Kwan-Liu Ma

Graph Neural Networks (GNNs) excel in graph-based learning tasks, but their complex, non-linear operations often render them as opaque "black boxes". This opacity hinders user trust, complicates debugging, bias detection, and adoption in…

人工智能 · 计算机科学 2025-11-18 TC Singh , Sougata Mukherjea

We present GFlowState, a visual analytics system designed to illuminate the training process of Generative Flow Networks (GFlowNets or GFNs). GFlowNets are a probabilistic framework for generating samples proportionally to a reward…

机器学习 · 计算机科学 2026-04-24 Florian Holeczek , Andreas Hinterreiter , Alex Hernandez-Garcia , Marc Streit , Christina Humer

Graph Neural Networks (GNNs) have become essential tools for analyzing graph-structured data in domains such as drug discovery and financial analysis, leading to growing demands for model transparency. Recent advances in explainable GNNs…

机器学习 · 计算机科学 2025-06-04 Bin Ma , Yuyuan Feng , Minhua Lin , Enyan Dai

Recently, Graph Neural Networks (GNNs) have significantly advanced the performance of machine learning tasks on graphs. However, this technological breakthrough makes people wonder: how does a GNN make such decisions, and can we trust its…

机器学习 · 计算机科学 2024-02-26 Xiaoqi Wang , Han-Wei Shen

Intrinsic interpretability of graph neural networks (GNNs) is to find a small subset of the input graph's features -- rationale -- which guides the model prediction. Unfortunately, the leading rationalization models often rely on data…

机器学习 · 计算机科学 2022-02-01 Ying-Xin Wu , Xiang Wang , An Zhang , Xiangnan He , Tat-Seng Chua

Graph Neural Networks (GNNs) achieve state-of-the-art performance in various graph-related tasks. However, the black-box nature often limits their interpretability and trustworthiness. Numerous explainability methods have been proposed to…

机器学习 · 计算机科学 2023-11-13 Jialin Chen , Kenza Amara , Junchi Yu , Rex Ying

The success of Graph Neural Networks (GNNs) has led to a need for understanding their decision-making process and providing explanations for their predictions, which has given rise to explainable AI (XAI) that offers transparent…

机器学习 · 计算机科学 2024-02-21 Sangwoo Seo , Sungwon Kim , Chanyoung Park

As Graph Neural Networks (GNNs) are widely adopted in digital pathology, there is increasing attention to developing explanation models (explainers) of GNNs for improved transparency in clinical decisions. Existing explainers discover an…

机器学习 · 计算机科学 2021-12-21 Junchi Yu , Tingyang Xu , Ran He

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

机器学习 · 计算机科学 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

The growing realism of AI-generated images produced by recent GAN and diffusion models has intensified concerns over the reliability of visual media. Yet, despite notable progress in deepfake detection, current forensic systems degrade…

计算机视觉与模式识别 · 计算机科学 2025-12-01 Anshul Bagaria

Although Large Language Models (LLMs) have demonstrated potential in processing graphs, they struggle with comprehending graphical structure information through prompts of graph description sequences, especially as the graph size increases.…

计算与语言 · 计算机科学 2024-12-17 Yukun Cao , Shuo Han , Zengyi Gao , Zezhong Ding , Xike Xie , S. Kevin Zhou

Explainability is crucial for the application of black-box Graph Neural Networks (GNNs) in critical fields such as healthcare, finance, cybersecurity, and more. Various feature attribution methods, especially the perturbation-based methods,…

机器学习 · 计算机科学 2024-12-31 Xingping Xian , Jianlu Liu , Chao Wang , Tao Wu , Shaojie Qiao , Xiaochuan Tang , Qun Liu
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