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Explaining the foundations for predictions obtained from graph neural networks (GNNs) is critical for credible use of GNN models for real-world problems. Owing to the rapid growth of GNN applications, recent progress in explaining…

机器学习 · 计算机科学 2025-01-07 Hyeoncheol Cho , Youngrock Oh , Eunjoo Jeon

Graph neural networks (GNNs) are quickly becoming the standard approach for learning on graph structured data across several domains, but they lack transparency in their decision-making. Several perturbation-based approaches have been…

机器学习 · 计算机科学 2021-11-29 Anna Himmelhuber , Mitchell Joblin , Martin Ringsquandl , Thomas Runkler

Explainability is crucial for probing graph neural networks (GNNs), answering questions like "Why the GNN model makes a certain prediction?". Feature attribution is a prevalent technique of highlighting the explanatory subgraph in the input…

机器学习 · 计算机科学 2022-04-28 Xiang Wang , Yingxin Wu , An Zhang , Fuli Feng , Xiangnan He , Tat-Seng Chua

Similarly to other connectionist models, Graph Neural Networks (GNNs) lack transparency in their decision-making. A number of sub-symbolic approaches have been developed to provide insights into the GNN decision making process. These are…

人工智能 · 计算机科学 2021-12-06 Anna Himmelhuber , Stephan Grimm , Sonja Zillner , Mitchell Joblin , Martin Ringsquandl , Thomas Runkler

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…

机器学习 · 计算机科学 2024-06-17 Giuseppe Serra , Mathias Niepert

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

机器学习 · 计算机科学 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

Graph Neural Networks (GNNs) have emerged as the predominant paradigm for learning from graph-structured data, offering a wide range of applications from social network analysis to bioinformatics. Despite their versatility, GNNs face…

机器学习 · 计算机科学 2026-05-05 Vincenzo Marco De Luca , Antonio Longa , Pietro Liò , Andrea Passerini

Comprehensible neural network explanations are foundations for a better understanding of decisions, especially when the input data are infused with malicious perturbations. Existing solutions generally mitigate the impact of perturbations…

机器学习 · 计算机科学 2025-02-21 Yicong Li , Kuanjiu Zhou , Shuo Yu , Qiang Zhang , Renqiang Luo , Xiaodong Li , Feng Xia

Graph learning has been crucial to many real-world tasks, but they are often studied with a closed-world assumption, with all possible labels of data known a priori. To enable effective graph learning in an open and noisy environment, it is…

机器学习 · 计算机科学 2025-08-04 Weijie Guan , Haohui Wang , Jian Kang , Lihui Liu , Dawei Zhou

Graph Neural Networks (GNNs) are widely used in many modern applications, necessitating explanations for their decisions. However, the complexity of GNNs makes it difficult to explain predictions. Even though several methods have been…

机器学习 · 计算机科学 2022-11-04 Tien-Cuong Bui , Van-Duc Le , Wen-Syan Li , Sang Kyun Cha

Explainable AI (XAI) has become critical as transformer-based models are deployed in high-stakes applications including healthcare, legal systems, and financial services, where opacity hinders trust and accountability. Transformers…

计算与语言 · 计算机科学 2026-01-22 George Mihaila

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

机器学习 · 计算机科学 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

Constraining deep neural networks (DNNs) to learn individual logic types per node, as performed using the DiffLogic network architecture, opens the door to model-specific explanation techniques that quell the complexity inherent to DNNs.…

机器学习 · 计算机科学 2025-03-14 Stephen Wormald , David Koblah , Matheus Kunzler Maldaner , Domenic Forte , Damon L. Woodard

Generative AI has achieved remarkable empirical success, but from the perspective of statistics it often remains opaque: its predictions may be accurate, yet the underlying mechanism is difficult to interpret, analyze, and trust. This book…

机器学习 · 统计学 2026-03-11 Shinto Eguchi

Generative Flow Networks (GFlowNets or GFNs) are probabilistic models predicated on Markov flows, and they employ specific amortization algorithms to learn stochastic policies that generate compositional substances including biomolecules,…

机器学习 · 计算机科学 2025-03-21 Shuai Guo , Jielei Chu , Lin Ma , Zhaoyu Li , Tianrui Li

Large language models (LLMs) have demonstrated impressive capabilities in natural language understanding and generation, including multi-step reasoning such as mathematical proving. However, existing approaches often lack an explicit and…

计算与语言 · 计算机科学 2026-05-19 Yutong Li , Yitian Zhou , Xudong Wang , GuoChen , Caiyan Qin

Without any assumptions about data generation, multiple causal models may explain our observations equally well. To avoid selecting a single arbitrary model that could result in unsafe decisions if it does not match reality, it is therefore…

机器学习 · 计算机科学 2025-01-13 Tristan Deleu

While instance-level explanation of GNN is a well-studied problem with plenty of approaches being developed, providing a global explanation for the behaviour of a GNN is much less explored, despite its potential in interpretability and…

机器学习 · 计算机科学 2023-04-13 Steve Azzolin , Antonio Longa , Pietro Barbiero , Pietro Liò , Andrea Passerini

The accelerated progress of artificial intelligence (AI) has popularized deep learning models across various domains, yet their inherent opacity poses challenges, particularly in critical fields like healthcare, medicine, and the…

计算机视觉与模式识别 · 计算机科学 2025-03-19 Michail Mamalakis , Antonios Mamalakis , Ingrid Agartz , Lynn Egeland Mørch-Johnsen , Graham Murray , John Suckling , Pietro Lio

The Generative Flow Network is a probabilistic framework where an agent learns a stochastic policy for object generation, such that the probability of generating an object is proportional to a given reward function. Its effectiveness has…

机器学习 · 计算机科学 2022-10-10 Ling Pan , Dinghuai Zhang , Aaron Courville , Longbo Huang , Yoshua Bengio