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Theoretical studies on the representation power of GNNs have been centered around understanding the equivalence of GNNs, using WL-Tests for detecting graph isomorphism. In this paper, we argue that such equivalence ignores the accompanying…

Machine Learning · Computer Science 2024-08-26 P. Krishna Kumar a , Harish G. Ramaswamy

Identifying vulnerable code is a precautionary measure to counter software security breaches. Tedious expert effort has been spent to build static analyzers, yet insecure patterns are barely fully enumerated. This work explores a deep…

Artificial Intelligence · Computer Science 2021-09-09 Yufan Zhuang , Sahil Suneja , Veronika Thost , Giacomo Domeniconi , Alessandro Morari , Jim Laredo

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

Graph Neural Networks (GNN) can capture the geometric properties of neural representations in EEG data. Here we utilise those to study how reinforcement-based motor learning affects neural activity patterns during motor planning, leveraging…

Machine Learning · Computer Science 2024-11-01 Federico Nardi , Jinpei Han , Shlomi Haar , A. Aldo Faisal

Data-centric methods have shown great potential in understanding and predicting spatiotemporal dynamics, enabling better design and control of the object system. However, deep learning models often lack interpretability, fail to obey…

Machine Learning · Computer Science 2025-01-07 Yuan Mi , Pu Ren , Hongteng Xu , Hongsheng Liu , Zidong Wang , Yike Guo , Ji-Rong Wen , Hao Sun , Yang Liu

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu

Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

State-of-the-art reinforcement learning algorithms predominantly learn a policy from either a numerical state vector or images. Both approaches generally do not take structural knowledge of the task into account, which is especially…

Machine Learning · Computer Science 2022-03-14 Marco Oliva , Soubarna Banik , Josip Josifovski , Alois Knoll

The time evolution of physical systems is described by differential equations, which depend on abstract quantities like energy and force. Traditionally, these quantities are derived as functionals based on observables such as positions and…

Machine Learning · Computer Science 2023-07-12 Suresh Bishnoi , Ravinder Bhattoo , Jayadeva , Sayan Ranu , N M Anoop Krishnan

Today we have a good theoretical understanding of the representational power of Graph Neural Networks (GNNs). For example, their limitations have been characterized in relation to a hierarchy of Weisfeiler-Lehman (WL) isomorphism tests.…

Machine Learning · Computer Science 2023-03-08 Mohammad Sadegh Akhondzadeh , Vijay Lingam , Aleksandar Bojchevski

Interpreting how does deep neural networks (DNNs) make predictions is a vital field in artificial intelligence, which hinders wide applications of DNNs. Visualization of learned representations helps we humans understand the vision of DNNs.…

Computer Vision and Pattern Recognition · Computer Science 2021-06-21 Chen Li , Jinzhe Jiang , Xin Zhang , Tonghuan Zhang , Yaqian Zhao , Dongdong Jiang , RenGang Li

Modern neuroimaging techniques, such as diffusion tensor imaging (DTI) and functional magnetic resonance imaging (fMRI), enable us to model the human brain as a brain network or connectome. Capturing brain networks' structural information…

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

One of the most prominent attributes of Neural Networks (NNs) constitutes their capability of learning to extract robust and descriptive features from high dimensional data, like images. Hence, such an ability renders their exploitation as…

Computer Vision and Pattern Recognition · Computer Science 2021-07-14 Ioannis Kansizoglou , Loukas Bampis , Antonios Gasteratos

Simulating complex dynamics like fluids with traditional simulators is computationally challenging. Deep learning models have been proposed as an efficient alternative, extending or replacing parts of traditional simulators. We investigate…

Machine Learning · Computer Science 2022-03-16 Jonathan Klimesch , Philipp Holl , Nils Thuerey

Symbolic regression (SR) aims to discover concise closed-form mathematical equations from data, a task fundamental to scientific discovery. However, the problem is highly challenging because closed-form equations lie in a complex…

Machine Learning · Computer Science 2024-01-02 Samuel Holt , Zhaozhi Qian , Mihaela van der Schaar

This paper shows how a Graph Neural Network (GNN) can be used to learn an Inverse Kinematics (IK) based on an automatically generated dataset. The generated Inverse Kinematics is generalized to a family of manipulators with the same Degree…

Robotics · Computer Science 2025-01-24 Pravin Pandey , Julia Reuter , Christoph Steup , Sanaz Mostaghim

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

Machine Learning · Computer Science 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Graph neural networks (GNNs) excel at predictive tasks on graph-structured data but often lack the ability to incorporate symbolic domain knowledge and perform general reasoning. Relational Bayesian Networks (RBNs), in contrast, enable…

Artificial Intelligence · Computer Science 2025-07-30 Raffaele Pojer , Andrea Passerini , Kim G. Larsen , Manfred Jaeger

Graph Neural Networks (GNNs) have deeply modified the landscape of numerical simulations by demonstrating strong capabilities in approximating solutions of physical systems. However, their ability to extrapolate beyond their training domain…

Machine Learning · Computer Science 2025-08-27 Paul Garnier , Jonathan Viquerat , Elie Hachem