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Modern methods for learning over graph input data have shown the fruitfulness of accounting for relationships among elements in a collection. However, most methods that learn over set input data use only rudimentary approaches to exploit…

Machine Learning · Computer Science 2019-09-24 Yifeng Shi , Junier Oliva , Marc Niethammer

The geometry of a graph is encoded in dynamical processes on the graph. Many graph neural network (GNN) architectures are inspired by such dynamical systems, typically based on the graph Laplacian. Here, we introduce Dirac--Bianconi GNNs…

Deep Neural Networks (DNNs) are widely used by engineers to solve difficult problems that require predictive modeling from data. However, these models are often massive, with millions or billions of parameters, and require substantial…

Software Engineering · Computer Science 2026-04-14 Federico Formica , Andrea Rota , Aurora Francesca Zanenga , Andrea Bombarda , Mark Lawford , Lionel C. Briand , Claudio Menghi

Denoising Diffusion Probabilistic Models (DDPMs) represent a contemporary class of generative models with exceptional qualities in both synthesis and maximizing the data likelihood. These models work by traversing a forward Markov Chain…

Machine Learning · Computer Science 2024-09-16 Hang Li , Wei Jin , Geri Skenderi , Harry Shomer , Wenzhuo Tang , Wenqi Fan , Jiliang Tang

Large Language Models (LLMs) have shown remarkable capabilities across various tasks but remain prone to hallucinations in knowledge-intensive scenarios. Knowledge Base Question Answering (KBQA) mitigates this by grounding generation in…

Computation and Language · Computer Science 2026-04-15 Shuai Wang , Xixi Wang , Yinan Yu

Due to the popularity of Graph Neural Networks (GNNs), various GNN-based methods have been designed to reason on knowledge graphs (KGs). An important design component of GNN-based KG reasoning methods is called the propagation path, which…

Machine Learning · Computer Science 2023-06-16 Yongqi Zhang , Zhanke Zhou , Quanming Yao , Xiaowen Chu , Bo Han

Deep neural networks (DNNs) lack the precise semantics and definitive probabilistic interpretation of probabilistic graphical models (PGMs). In this paper, we propose an innovative solution by constructing infinite tree-structured PGMs that…

Machine Learning · Statistics 2025-03-25 Boyao Li , Alexander J. Thomson , Houssam Nassif , Matthew M. Engelhard , David Page

Accurate prediction of blood-brain barrier permeability (BBBP) is essential for central nervous system (CNS) drug development. While graph neural networks (GNNs) have advanced molecular property prediction, they often rely on molecular…

Machine Learning · Computer Science 2025-12-09 Trung Nguyen , Md Masud Rana , Farjana Tasnim Mukta , Chang-Guo Zhan , Duc Duy Nguyen

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

Machine Learning · Computer Science 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Graph Neural Networks (GNNs) have become a dominant approach to learning graph representations, primarily because of their message-passing mechanisms. However, GNNs typically adopt a fixed aggregator function such as Mean, Max, or Sum…

Machine Learning · Computer Science 2025-07-29 Xuanting Xie , Bingheng Li , Erlin Pan , Zhao Kang , Wenyu Chen

We propose an efficient framework that integrates distance-aware multi-hop message passing with dynamic topology refinement. Unlike standard GNNs that rely on shallow, fixed-hop aggregation, DRTR leverages both static preprocessing and…

Machine Learning · Computer Science 2025-12-01 Dong Liu , Yanxuan Yu

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

Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…

Machine Learning · Computer Science 2023-10-31 Andi Han , Dai Shi , Lequan Lin , Junbin Gao

Graphs play an important role in many applications. Recently, Graph Neural Networks (GNNs) have achieved promising results in graph analysis tasks. Some state-of-the-art GNN models have been proposed, e.g., Graph Convolutional Networks…

Machine Learning · Computer Science 2021-09-29 Yaoman Li , Irwin King

This paper presents a novel approach to neural network pruning by integrating a graph-based observation space into an AutoML framework to address the limitations of existing methods. Traditional pruning approaches often depend on…

Machine Learning · Computer Science 2025-09-16 Dieter Balemans , Thomas Huybrechts , Jan Steckel , Siegfried Mercelis

We introduce Graph-Structured Sum-Product Networks (GraphSPNs), a probabilistic approach to structured prediction for problems where dependencies between latent variables are expressed in terms of arbitrary, dynamic graphs. While many…

Machine Learning · Computer Science 2017-11-23 Kaiyu Zheng , Andrzej Pronobis , Rajesh P. N. Rao

In this work, we propose a graph-adaptive pruning (GAP) method for efficient inference of convolutional neural networks (CNNs). In this method, the network is viewed as a computational graph, in which the vertices denote the computation…

Computer Vision and Pattern Recognition · Computer Science 2018-11-22 Mengdi Wang , Qing Zhang , Jun Yang , Xiaoyuan Cui , Wei Lin

Implicit graph neural networks have gained popularity in recent years as they capture long-range dependencies while improving predictive performance in static graphs. Despite the tussle between performance degradation due to the…

Machine Learning · Computer Science 2024-06-27 Yongjian Zhong , Hieu Vu , Tianbao Yang , Bijaya Adhikari

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani