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Graph Neural Networks operate through bottom-up message-passing, fundamentally differing from human visual perception, which intuitively captures global structures first. We investigate the underappreciated potential of vision models for…

Computer Vision and Pattern Recognition · Computer Science 2025-10-30 Xinjian Zhao , Wei Pang , Zhongkai Xue , Xiangru Jian , Lei Zhang , Yaoyao Xu , Xiaozhuang Song , Shu Wu , Tianshu Yu

Today's deep learning systems deliver high performance based on end-to-end training. While they deliver strong performance, these systems are hard to interpret. To address this issue, we propose Semantic Bottleneck Networks (SBN): deep…

Computer Vision and Pattern Recognition · Computer Science 2019-07-30 Max Losch , Mario Fritz , Bernt Schiele

The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes. This is accomplished here with the development of a novel graph neural network (GNN)…

Machine Learning · Computer Science 2023-02-20 Shivam Barwey , Varun Shankar , Venkatasubramanian Viswanathan , Romit Maulik

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

Graph neural networks (GNNs) have led to major breakthroughs in a variety of domains such as drug discovery, social network analysis, and travel time estimation. However, they lack interpretability which hinders human trust and thereby…

Machine Learning · Computer Science 2023-12-05 Jonas Jürß , Lucie Charlotte Magister , Pietro Barbiero , Pietro Liò , Nikola Simidjievski

Graph representation learning is a fundamental problem for modeling relational data and benefits a number of downstream applications. Traditional Bayesian-based graph models and recent deep learning based GNN either suffer from…

Machine Learning · Computer Science 2024-03-27 Hanxuan Yang , Qingchao Kong , Wenji Mao

This paper investigates the integration of graph neural networks (GNNs) with Qualitative Explainable Graphs (QXGs) for scene understanding in automated driving. Scene understanding is the basis for any further reactive or proactive…

Robotics · Computer Science 2025-04-18 Nassim Belmecheri , Arnaud Gotlieb , Nadjib Lazaar , Helge Spieker

Spatio-temporal graph neural networks (STGNNs) have gained popularity as a powerful tool for effectively modeling spatio-temporal dependencies in diverse real-world urban applications, including intelligent transportation and public safety.…

Machine Learning · Computer Science 2023-10-27 Jiabin Tang , Lianghao Xia , Chao Huang

Machine learning models that first learn a representation of a domain in terms of human-understandable concepts, then use it to make predictions, have been proposed to facilitate interpretation and interaction with models trained on…

Machine Learning · Computer Science 2020-12-08 Isaac Lage , Finale Doshi-Velez

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown…

Molecular Networks · Quantitative Biology 2023-07-11 Namkyeong Lee , Dongmin Hyun , Gyoung S. Na , Sungwon Kim , Junseok Lee , Chanyoung Park

Explaining the predictions of a deep neural network is a nontrivial task, yet high-quality explanations for predictions are often a prerequisite for practitioners to trust these models. Counterfactual explanations aim to explain predictions…

Machine Learning · Computer Science 2025-01-16 Andreas Abildtrup Hansen , Paraskevas Pegios , Anna Calissano , Aasa Feragen

We introduce Concept Bottleneck Large Language Models (CB-LLMs), a novel framework for building inherently interpretable Large Language Models (LLMs). In contrast to traditional black-box LLMs that rely on limited post-hoc interpretations,…

Computation and Language · Computer Science 2025-09-09 Chung-En Sun , Tuomas Oikarinen , Berk Ustun , Tsui-Wei Weng

Recent works on representation learning for graph structured data predominantly focus on learning distributed representations of graph substructures such as nodes and subgraphs. However, many graph analytics tasks such as graph…

Artificial Intelligence · Computer Science 2017-07-18 Annamalai Narayanan , Mahinthan Chandramohan , Rajasekar Venkatesan , Lihui Chen , Yang Liu , Shantanu Jaiswal

Explainability of Deep Neural Networks (DNNs) has been garnering increasing attention in recent years. Of the various explainability approaches, concept-based techniques stand out for their ability to utilize human-meaningful concepts…

Computer Vision and Pattern Recognition · Computer Science 2023-10-05 Fatemeh Aghaeipoor , Dorsa Asgarian , Mohammad Sabokrou

In supervised learning, understanding an input's proximity to the training data can help a model decide whether it has sufficient evidence for reaching a reliable prediction. While powerful probabilistic models such as Gaussian Processes…

Machine Learning · Computer Science 2024-06-19 Ifigeneia Apostolopoulou , Benjamin Eysenbach , Frank Nielsen , Artur Dubrawski

Commonsense question answering has demonstrated considerable potential across various applications like assistants and social robots. Although fully fine-tuned pre-trained Language Models(LM) have achieved remarkable performance in…

Computation and Language · Computer Science 2024-05-10 Ruiting Dai , Yuqiao Tan , Lisi Mo , Shuang Liang , Guohao Huo , Jiayi Luo , Yao Cheng

Graph neural networks have demonstrated state-of-the-art performance on knowledge graph tasks such as link prediction. However, interpreting GNN predictions remains a challenging open problem. While many GNN explainability methods have been…

Machine Learning · Computer Science 2025-06-17 Ryoji Kubo , Djellel Difallah

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…

Machine Learning · Computer Science 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

The recent mass adoption of DNNs, even in safety-critical scenarios, has shifted the focus of the research community towards the creation of inherently intrepretable models. Concept Bottleneck Models (CBMs) constitute a popular approach…

Machine Learning · Computer Science 2023-08-22 Konstantinos P. Panousis , Dino Ienco , Diego Marcos
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