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Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

Probabilistic graphical models provide a powerful tool to describe complex statistical structure, with many real-world applications in science and engineering from controlling robotic arms to understanding neuronal computations. A major…

Artificial Intelligence · Computer Science 2023-05-04 Yicheng Fei , Xaq Pitkow

Graph neural networks (GNNs) have recently gained much attention for node and graph classification tasks on graph-structured data. However, multiple recent works showed that an attacker can easily make GNNs predict incorrectly via…

Cryptography and Security · Computer Science 2021-07-19 Binghui Wang , Jinyuan Jia , Xiaoyu Cao , Neil Zhenqiang Gong

The success of neural networks across most machine learning tasks and the persistence of adversarial examples have made the verification of such models an important quest. Several techniques have been successfully developed to verify…

Machine Learning · Computer Science 2019-10-14 Nathanaël Fijalkow , Mohit Kumar Gupta

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Graph neural networks (GNNs) have been extensively developed for graph representation learning in various application domains. However, similar to all other neural networks models, GNNs suffer from the black-box problem as people cannot…

Machine Learning · Computer Science 2022-03-18 Peibo Li , Yixing Yang , Maurice Pagnucco , Yang Song

Graph Neural Networks (GNNs) are a popular approach for predicting graph structured data. As GNNs tightly entangle the input graph into the neural network structure, common explainable AI approaches are not applicable. To a large extent,…

Explaining Graph Neural Networks (GNNs) has garnered significant attention due to the need for interpretability, enabling users to understand the behavior of these black-box models better and extract valuable insights from their…

Machine Learning · Computer Science 2025-06-03 Jiaxing Zhang , Xiaoou Liu , Dongsheng Luo , Hua Wei

Graph neural networks (GNN) are very popular methods in machine learning and have been applied very successfully to the prediction of the properties of molecules and materials. First-order GNNs are well known to be incomplete, i.e., there…

Machine Learning · Statistics 2022-11-08 Sergey N. Pozdnyakov , Michele Ceriotti

Deep learning methods are achieving ever-increasing performance on many artificial intelligence tasks. A major limitation of deep models is that they are not amenable to interpretability. This limitation can be circumvented by developing…

Machine Learning · Computer Science 2022-07-05 Hao Yuan , Haiyang Yu , Shurui Gui , Shuiwang Ji

Quantum Neural Networks (QNNs) have achieved initial success in various tasks by integrating quantum computing and neural networks. However, growing concerns about their reliability and robustness highlight the need for systematic testing.…

Quantum Physics · Physics 2026-01-12 Minqi Shao , Jianjun Zhao

Graph neural networks are becoming increasingly popular in the field of machine learning due to their unique ability to process data structured in graphs. They have also been applied in safety-critical environments where perturbations…

Machine Learning · Computer Science 2025-04-17 Tobias Ladner , Michael Eichelbeck , Matthias Althoff

The expressivity of Graph Neural Networks (GNNs) is dependent on the aggregation functions they employ. Theoretical works have pointed towards Sum aggregation GNNs subsuming every other GNNs, while certain practical works have observed a…

Machine Learning · Computer Science 2023-05-22 Eran Rosenbluth , Jan Toenshoff , Martin Grohe

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

Machine Learning · Statistics 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber

Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful…

Machine Learning · Statistics 2024-11-08 Mauricio Velasco , Kaiying O'Hare , Bernardo Rychtenberg , Soledad Villar

We propose a methodology for designing dependable Artificial Neural Networks (ANN) by extending the concepts of understandability, correctness, and validity that are crucial ingredients in existing certification standards. We apply the…

The dominant approaches for named entity recognition (NER) mostly adopt complex recurrent neural networks (RNN), e.g., long-short-term-memory (LSTM). However, RNNs are limited by their recurrent nature in terms of computational efficiency.…

Computation and Language · Computer Science 2019-07-22 Hui Chen , Zijia Lin , Guiguang Ding , Jianguang Lou , Yusen Zhang , Borje Karlsson

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…

Machine Learning · Computer Science 2023-11-13 Jialin Chen , Kenza Amara , Junchi Yu , Rex Ying

We investigate the complexity of the reachability problem for (deep) neural networks: does it compute valid output given some valid input? It was recently claimed that the problem is NP-complete for general neural networks and conjunctive…

Computational Complexity · Computer Science 2022-03-16 Marco Sälzer , Martin Lange

Graph Neural Networks (GNNs) have achieved remarkable success across diverse tasks on graph-structured data, primarily through the use of learned weights in message passing layers. In this paper, we demonstrate that random weights can be…

Machine Learning · Computer Science 2025-02-04 Thu Bui , Carola-Bibiane Schönlieb , Bruno Ribeiro , Beatrice Bevilacqua , Moshe Eliasof