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Graph neural networks (GNNs) are widely used in graph learning and most architectures propagate information by passing messages between vertices. In this work, we shift our attention to GNNs that perform message passing on edges and…

Machine Learning · Computer Science 2026-02-03 Pablo Barceló , Fabian Jogl , Alexander Kozachinskiy , Matthias Lanzinger , Stefan Neumann , Cristóbal Rojas

Identifying governing equations for a dynamical system is a topic of critical interest across an array of disciplines, from mathematics to engineering to biology. Machine learning -- specifically deep learning -- techniques have shown their…

Dynamical Systems · Mathematics 2026-05-07 Nibodh Boddupalli , Timothy Matchen , Jeff Moehlis

Machine learning is among the most widely anticipated use cases for near-term quantum computers, however there remain significant theoretical and implementation challenges impeding its scale up. In particular, there is an emerging body of…

Quantum Physics · Physics 2023-09-20 Maxwell T. West , Martin Sevior , Muhammad Usman

In the recent past, there has been a growing interest in Neural-Symbolic Integration frameworks, i.e., hybrid systems that integrate connectionist and symbolic approaches to obtain the best of both worlds. In this work we focus on a…

Machine Learning · Computer Science 2022-06-01 Alessandro Daniele , Luciano Serafini

Recent advances in machine learning have led to a surge in adoption of neural networks for various tasks, but lack of interpretability remains an issue for many others in which an understanding of the features influencing the prediction is…

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over structured data, including text-attributed graphs (TAGs), which are common in domains such as citation networks, social platforms, and knowledge graphs. GNNs are…

Machine Learning · Computer Science 2026-04-23 Peyman Baghershahi , Gregoire Fournier , Pranav Nyati , Sourav Medya

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…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Recent progress in deep reinforcement learning (DRL) can be largely attributed to the use of neural networks. However, this black-box approach fails to explain the learned policy in a human understandable way. To address this challenge and…

Artificial Intelligence · Computer Science 2021-03-17 Zhihao Ma , Yuzheng Zhuang , Paul Weng , Hankz Hankui Zhuo , Dong Li , Wulong Liu , Jianye Hao

The rapid increase in the parameters of deep learning models has led to significant costs, challenging computational efficiency and model interpretability. In this paper, we introduce a novel and straightforward neural network pruning…

Machine Learning · Computer Science 2023-11-23 Zhang Zhang , Ruyi Tao , Jiang Zhang

In this work, we aim to leverage prior symbolic knowledge to improve the performance of deep models. We propose a graph embedding network that projects propositional formulae (and assignments) onto a manifold via an augmented Graph…

Artificial Intelligence · Computer Science 2019-10-30 Yaqi Xie , Ziwei Xu , Mohan S. Kankanhalli , Kuldeep S. Meel , Harold Soh

Many real-world systems can be described by mathematical models that are human-comprehensible, easy to analyze and help explain the system's behavior. Symbolic regression is a method that can automatically generate such models from data.…

Neural and Evolutionary Computing · Computer Science 2023-06-28 Jiří Kubalík , Erik Derner , Robert Babuška

Logic-based machine learning aims to learn general, interpretable knowledge in a data-efficient manner. However, labelled data must be specified in a structured logical form. To address this limitation, we propose a neural-symbolic learning…

Machine Learning · Computer Science 2023-01-06 Daniel Cunnington , Mark Law , Alessandra Russo , Jorge Lobo

This paper studies the problem of learning causal structures from observational data. We reformulate the Structural Equation Model (SEM) with additive noises in a form parameterized by binary graph adjacency matrix and show that, if the…

Machine Learning · Computer Science 2022-01-11 Ignavier Ng , Shengyu Zhu , Zhuangyan Fang , Haoyang Li , Zhitang Chen , Jun Wang

Symbolic regression corresponds to an ensemble of techniques that allow to uncover an analytical equation from data. Through a closed form formula, these techniques provide great advantages such as potential scientific discovery of new…

Machine Learning · Computer Science 2021-10-27 Ismail Alaoui Abdellaoui , Siamak Mehrkanoon

In the recent past, there has been a growing interest in Neural-Symbolic Integration frameworks, i.e., hybrid systems that integrate connectionist and symbolic approaches to obtain the best of both worlds. In a previous work, we proposed…

Machine Learning · Computer Science 2021-10-19 Alessandro Daniele , Luciano Serafini

Graph Neural Networks (GNNs) have become essential in high-stakes domains such as drug discovery, yet their black-box nature remains a significant barrier to trustworthiness. While self-explainable GNNs attempt to bridge this gap, they…

Machine Learning · Computer Science 2026-02-25 Chuqin Geng , Li Zhang , Haolin Ye , Ziyu Zhao , Yuhe Jiang , Tara Saba , Xinyu Wang , Xujie Si

Discovering governing equations of complex network dynamics is a fundamental challenge in contemporary science with rich data, which can uncover the mysterious patterns and mechanisms of the formation and evolution of complex phenomena in…

Artificial Intelligence · Computer Science 2024-11-12 Jiao Hu , Jiaxu Cui , Bo Yang

We demonstrate the applicability of model-agnostic algorithms for meta-learning, specifically Reptile, to GNN models in molecular regression tasks. Using meta-learning we are able to learn new chemical prediction tasks with only a few model…

Machine Learning · Computer Science 2022-11-28 Haitz Sáez de Ocáriz Borde , Federico Barbero

Learning from graph-structured data is an important task in machine learning and artificial intelligence, for which Graph Neural Networks (GNNs) have shown great promise. Motivated by recent advances in geometric representation learning, we…

Machine Learning · Computer Science 2019-10-30 Qi Liu , Maximilian Nickel , Douwe Kiela

Numerous phenomenological nuclear models have been proposed to describe specific observables within different regions of the nuclear chart. However, developing a unified model that describes the complex behavior of all nuclei remains an…

Nuclear Theory · Physics 2025-05-14 Jose M. Munoz , Silviu M. Udrescu , Ronald F. Garcia Ruiz