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Graph Neural Networks (GNNs) have achieved promising performance in a variety of graph-focused tasks. Despite their success, however, existing GNNs suffer from two significant limitations: a lack of interpretability in their results due to…

Machine Learning · Statistics 2024-11-19 Wenzhuo Zhou , Annie Qu , Keiland W. Cooper , Norbert Fortin , Babak Shahbaba

In this paper, we propose an elegant solution that is directly addressing the bottlenecks of the traditional deep learning approaches and offers a clearly explainable internal architecture that can outperform the existing methods, requires…

Machine Learning · Computer Science 2019-12-09 Plamen Angelov , Eduardo Soares

The rising computational and energy demands of deep learning, particularly in large-scale architectures such as foundation models and large language models (LLMs), pose significant challenges to sustainability. Traditional gradient-based…

Machine Learning · Computer Science 2025-09-19 Mohammad Saleh Vahdatpour , Huaiyuan Chu , Yanqing Zhang

Graph Neural Networks (GNNs) often struggle with noisy edges. We propose Latent Space Constrained Graph Neural Networks (LSC-GNN) to incorporate external "clean" links and guide embeddings of a noisy target graph. We train two encoders--one…

Machine Learning · Computer Science 2025-07-09 Chunhui Gu , Mohammad Sadegh Nasr , James P. Long , Kim-Anh Do , Ehsan Irajizad

Rapid development of big data and high-performance computing have encouraged explosive studies of deep learning in geoscience. However, most studies only take single-type data as input, frittering away invaluable multisource, multi-scale…

Machine Learning · Computer Science 2020-05-19 Zhenyu Yuan , Yuxin Jiang , Jingjing Li , Handong Huang

Bitcoin transaction networks are large scale socio- technical systems in which activities are represented through multi-hop interaction patterns. Graph Neural Networks(GNNs) have become a widely adopted tool for analyzing such systems,…

Machine Learning · Computer Science 2026-03-18 Ankit Ghimire , Saydul Akbar Murad , Nick Rahimi

This paper introduces a novel neural network - flow completion network (FCN) - to infer the fluid dynamics, includ-ing the flow field and the force acting on the body, from the incomplete data based on Graph Convolution AttentionNetwork.…

Fluid Dynamics · Physics 2022-08-24 Xiaodong He , Yinan Wang , Juan Li

Many machine learning algorithms for tabular data produce black-box models, which prevent users from understanding the rationale behind the model predictions. In their unconstrained form, graph neural networks fall into this category, and…

Machine Learning · Computer Science 2024-08-15 Amr Alkhatib , Henrik Boström

Recent work on neuro-symbolic inductive logic programming has led to promising approaches that can learn explanatory rules from noisy, real-world data. While some proposals approximate logical operators with differentiable operators from…

Artificial Intelligence · Computer Science 2021-12-08 Prithviraj Sen , Breno W. S. R. de Carvalho , Ryan Riegel , Alexander Gray

Efficient modeling of relational data arising in physical, social, and information sciences is challenging due to complicated dependencies within the data. In this work, we build off of semi-implicit graph variational auto-encoders to…

Machine Learning · Computer Science 2021-03-12 Ali Lotfi Rezaabad , Rahi Kalantari , Sriram Vishwanath , Mingyuan Zhou , Jonathan Tamir

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Implicit graph neural networks (IGNNs), which exhibit strong expressive power with a single layer, have recently demonstrated remarkable performance in capturing long-range dependencies (LRD) in underlying graphs while effectively…

Machine Learning · Computer Science 2025-02-19 Junchao Lin , Zenan Ling , Zhanbo Feng , Jingwen Xu , Minxuan Liao , Feng Zhou , Tianqi Hou , Zhenyu Liao , Robert C. Qiu

While graph neural networks (GNNs) have shown remarkable performance across diverse graph-related tasks, their high-dimensional hidden representations render them black boxes. In this work, we propose Graph Lingual Network (GLN), a GNN…

Machine Learning · Computer Science 2025-09-16 Sunwoo Kim , Soo Yong Lee , Jaemin Yoo , Kijung Shin

We present a neural network architecture that is fully equivariant with respect to transformations under the Lorentz group, a fundamental symmetry of space and time in physics. The architecture is based on the theory of the…

High Energy Physics - Phenomenology · Physics 2020-06-09 Alexander Bogatskiy , Brandon Anderson , Jan T. Offermann , Marwah Roussi , David W. Miller , Risi Kondor

Hyperbolic graph convolutional networks (HGCNs) have demonstrated significant potential in extracting information from hierarchical graphs. However, existing HGCNs are limited to shallow architectures due to the computational expense of…

Machine Learning · Computer Science 2024-08-12 Jiaxu Liu , Xinping Yi , Xiaowei Huang

This work begins by establishing a mathematical formalization between different geometrical interpretations of Neural Networks, providing a first contribution. From this starting point, a new interpretation is explored, using the idea of…

Machine Learning · Computer Science 2019-05-20 Daniel Vieira , Joao Paixao

Machine-learning (ML) force fields enable large-scale simulations with near-first-principles accuracy at substantially reduced computational cost. Recent work has extended ML force-field approaches to adiabatic dynamical simulations of…

Strongly Correlated Electrons · Physics 2026-01-08 Yunhao Fan , Gia-Wei Chern

The growing computational demands of classical neural networks have intensified the search for energy-efficient and powerful computational alternatives. Quantum neural networks (QNNs) implemented on integrated photonic platforms offer a…

Hyperbolic Neural Networks (HNNs), operating in hyperbolic space, have been widely applied in recent years, motivated by the existence of an optimal embedding in hyperbolic space that can preserve data hierarchical relationships (termed…

Machine Learning · Computer Science 2024-02-06 Shicheng Tan , Huanjing Zhao , Shu Zhao , Yanping Zhang

Graph data often exhibits complex geometric heterogeneity, where structures with varying local curvature, such as tree-like hierarchies and dense communities, coexist within a single network. Existing geometric GNNs, which embed graphs into…

Machine Learning · Computer Science 2026-01-21 Xudong Wang , Chris Ding , Tongxin Li , Jicong Fan