Graph Neural Networks

Also known as GNN

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Latest papers 686

88 papers in the last four weeks, up 31% on the four weeks before. 0.5% of all new papers.

Apr 14, 2026

RoleMAG: Learning Neighbor Roles in Multimodal Graphs

Multimodal attributed graphs (MAGs) combine multimodal node attributes with structured relations. However, existing methods usually perform shared message passing on a single graph and implicitly assume that the same neighbors are equally useful for all modalities. In practice, neighbors that benefit one modality may interfere with another, blurring modality-specific signals under shared propagation. To address this issue, we propose RoleMAG, a multimodal graph framework that learns how different neighbors should participate in propagation. Concretely, RoleMAG distinguishes whether a neighbor should provide shared, complementary, or heterophilous signals, and routes them through separate propagation channels. This enables cross-modal completion from complementary neighbors while keeping heterophilous ones out of shared smoothing. Extensive experiments on three graph-centric MAG benchmarks show that RoleMAG achieves the best results on RedditS and Bili_Dance, while remaining competitive on Toys. Ablation, robustness, and efficiency analyses further support the effectiveness of the proposed role-aware propagation design. Our code is available at https://anonymous.4open.science/r/RoleMAG-7EE0/

Yilong Zuo, Xunkai Li, Zhihan Zhang +2

Beijing Institute of Technology, Beijing, China

Multimodal Graph Learning Graph Neural Networks Message Passing Neural Networks

Apr 13, 2026

Learning How Much to Think: Difficulty-Aware Dynamic MoEs for Graph Node Classification

Mixture-of-Experts (MoE) architectures offer a scalable path for Graph Neural Networks (GNNs) in node classification tasks but typically rely on static and rigid routing strategies that enforce a uniform expert budget or coarse-grained expert toggles on all nodes. This limitation overlooks the varying discriminative difficulty of nodes and leads to under-fitting for hard nodes and redundant computation for easy ones. To resolve this issue, we propose D2MoE, a novel framework that shifts the focus from static expert selection to node-wise expert resource allocation. By using predictive entropy as a real-time proxy for difficulty, D2MoE employs a difficulty-driven top-p routing mechanism to adaptively concentrate expert resources on hard nodes while reducing overhead for easy ones, achieving continuous and fine-grained expert budget scaling for node classification. Experiments on 13 benchmarks demonstrate that D2MoE achieves consistent state-of-the-art performance, surpassing leading baselines by up to 7.92% in accuracy on heterophilous graphs. Notably, on large-scale graphs, it reduces memory consumption by up to 73.07% and training time by 46.53% compared to the best-performing Graph MoE, thereby validating its superior efficiency.

Jiajun Zhou, Yadong Li, Xuanze Chen +4

Jiajun Zhou, Yadong Li, Xuanze Chen, Chen Ma, Shanqing Yu and Qi Xuan are with the Institute of Cyberspace Security, Zhejiang University of Technology, Hangzhou 310023, China, with the Binjiang Cyberspace Security Institute of ZJUT, Hangzhou, 310056, China, and with the Soovar Technologies Co., Ltd., Hangzhou 310056, China. · Chuang Zhao is with the Department of Electronic and Computer Engineering, Hong Kong University of Science and Technology, Hong Kong, China.

Graph Neural Networks Mixture-of-Experts Models Node Classification

Apr 13, 2026

Dynamic Sheaf Diffusion Networks with Adaptive Local Structure for Heterogeneous Spatio-Temporal Graph Learning

Spatio-temporal processes often exhibit highly heterogeneous and non-intuitive responses to localized disruptions, limiting the effectiveness of conventional message passing approaches in modeling local heterogeneity. We reformulate spatio-temporal forecasting as the problem of learning information flow over locally structured spaces, rather than propagating globally aligned node representations. To this end, we introduce a spatio-temporal sheaf diffusion graph neural network (ST-Sheaf GNN) that embeds graph topology into sheaf-based vector spaces connected by learned linear restriction maps. Unlike prior approaches relying on static or globally shared transformations, our model learns dynamic restriction maps that evolve over time and adapt to local spatio-temporal patterns, enabling more expressive interactions. The proposed framework both theoretically guarantees and empirically demonstrates evidence that the proposed diffusion mechanism mitigates oversmoothing, preserving discriminative node representations even with increasing diffusion layer depth. Experiments on diverse real-world spatio-temporal forecasting benchmarks across multiple domains demonstrate state-of-the-art performance, highlighting the effectiveness of sheaf topological representations as a principled foundation for spatio-temporal graph learning. The code is available at: https://anonymous.4open.science/r/ST-SheafGNN-6523/.

Abeer Mostafa, Raneen Younis, Zahra Ahmadi

Peter L. Reichertz Institute for Medical Informatics, Hannover Medical School, Hannover, Germany · Lower Saxony Center for Artificial Intelligence and Causal Methods in Medicine (CAIMed), Hannover, Germany

Graph Neural Networks Spatiotemporal GNNs Spatiotemporal Forecasting Sheaf Neural Networks

Apr 13, 2026

Unified Graph Prompt Learning via Low-Rank Graph Message Prompting

Graph Data Prompt (GDP), which introduces specific prompts in graph data for efficiently adapting pre-trained GNNs, has become a mainstream approach to graph fine-tuning learning problem. However, existing GDPs have been respectively designed for distinct graph component (e.g., node features, edge features, edge weights) and thus operate within limited prompt spaces for graph data. To the best of our knowledge, it still lacks a unified prompter suitable for targeting all graph components simultaneously. To address this challenge, in this paper, we first propose to reinterpret a wide range of existing GDPs from an aspect of Graph Message Prompt (GMP) paradigm. Based on GMP, we then introduce a novel graph prompt learning approach, termed Low-Rank GMP (LR-GMP), which leverages low-rank prompt representation to achieve an effective and compact graph prompt learning. Unlike traditional GDPs that target distinct graph components separately, LR-GMP concurrently performs prompting on all graph components in a unified manner, thereby achieving significantly superior generalization and robustness on diverse downstream tasks. Extensive experiments on several graph benchmark datasets demonstrate the effectiveness and advantages of our proposed LR-GMP.

Beibei Wang, Bo Jiang, Ziyan Zhang +1

School of Computer Science and Technology, Anhui University, Hefei 230601, China. · State Key Laboratory of Opto-Electronic Information Acquisition and Protection Technology, School of Computer Science and Technology, Anhui University, Hefei 230601, China.

Prompt Learning Graph Neural Networks

Apr 10, 2026

On-Meter Graph Machine Learning: A Case Study of PV Power Forecasting for Grid Edge Intelligence

This paper presents a detailed study of how graph neural networks can be used on edge intelligent meters in a microgrid to forecast photovoltaic power generation. The problem background and the adopted technologies are introduced, including ONNX and ONNX Runtime. The hardware and software specifications of the smart meter are also briefly described. Then, the paper focuses on the training and deployment of two graph machine learning models, GCN and GraphSAGE, with particular emphasis on developing and deploying a customized ONNX operator for GCN. Finally, a case study is conducted using real datasets from a village microgrid. The performance of the two models is compared on both the PC and the smart meter, exhibiting successful deployments and executions on the smart meter.

Jian Huang, Zixiang Ming, Yongli Zhu +1

Sun Yat-sen University, Guangzhou, China

Edge ML Solar Power Forecasting Graph Neural Networks

Apr 10, 2026

Transferable FB-GNN-MBE Framework for Potential Energy Surfaces: Data-Adaptive Transfer Learning in Deep Learned Many-Body Expansion Theory

Mechanistic understanding and rational design of complex chemical systems depend on fast and accurate predictions of electronic structures beyond individual building blocks. However, if the system exceeds hundreds of atoms, first-principles quantum mechanical (QM) modeling becomes impractical. In this study, we developed FB-GNN-MBE by integrating a fragment-based graph neural network (FB-GNN) into the many-body expansion (MBE) theory and demonstrated its capacity to reproduce first-principles potential energy surfaces (PES) for hierarchically structured systems with manageable accuracy, complexity, and interpretability. Specifically, we divided the entire system into basic building blocks (fragments), evaluated their one-fragment energies using a QM model, and addressed many-fragment interactions using the structure-property relationships trained by FB-GNNs. Our investigation shows that FB-GNN-MBE achieves chemical accuracy in predicting two-body (2B) and three-body (3B) energies across water, phenol, and mixture benchmarks, as well as the one-dimensional dissociation curves of water and phenol dimers. To transfer the success of FB-GNN-MBE across various systems with minimal computational costs and data demands, we developed and validated a teacher-student learning protocol. A heavy-weight FB-GNN trained on a mixed-density water cluster ensemble (teacher) distills its learned knowledge and passes it to a light-weight GNN (student), which is later fine-tuned on a uniform-density (H2O)21 cluster ensemble. This transfer learning strategy resulted in efficient and accurate prediction of 2B and 3B energies for variously sized water clusters without retraining. Our transferable FB-GNN-MBE framework outperformed conventional non-FB-GNN-based models and provided a scalable and accurate route toward interaction energies of large molecular assemblies.

Siqi Chen, Zhiqiang Wang, Yili Shen +8

Department of Chemical and Biomolecular Engineering, University of Massachusetts Amherst, Amherst, MA 01003 · Department of Chemistry, University of Massachusetts Amherst, Amherst, MA 01003 · Also at Department of Electrical Engineering and Computer Science, Florida Atlantic University, Boca Raton, FL 33431 +5

Graph Neural Networks Machine Learning Interatomic Potentials Quantum Chemistry Transfer Learning

Apr 10, 2026

SatQNet: Satellite-assisted Quantum Network Entanglement Routing Using Directed Line Graph Neural Networks

Quantum networks are expected to become a key enabler for interconnecting quantum devices. In contrast to classical communication networks, however, information transfer in quantum networks is usually restricted to short distances due to physical constraints of entanglement distribution. Satellites can extend entanglement distribution over long distances, but routing in such networks is challenging because satellite motion and stochastic link generation create a highly dynamic quantum topology. Existing routing methods often rely on global topology information that quickly becomes outdated due to delays in the classical control plane, while decentralized methods typically act on incomplete local information. We propose SatQNet, a reinforcement learning approach for entanglement routing in satellite-assisted quantum networks that can be decentralized at runtime. Its key innovation is an edge-centric directed line graph neural network that performs local message passing on directed edge embeddings, enabling it to better capture link properties in high-degree and time-varying topologies. By exchanging messages with neighboring repeaters, SatQNet learns a local graph representation at runtime that supports agents in establishing high-fidelity end-to-end entanglements. Trained on random graphs, SatQNet outperforms heuristic and learning-based approaches across diverse settings, including a real-world European backbone topology, and generalizes to unseen topologies without retraining.

Tobias Meuser, Jannis Weil, Aninda Lahiri +1

Communication Networks Lab, Technical University of Darmstadt · Institute of Communication Technology, Leibniz University Hannover · Quantum Information Group, IMDEA Networks

Graph Neural Networks

Apr 10, 2026

On the Role of DAG topology in Energy-Aware Cloud Scheduling : A GNN-Based Deep Reinforcement Learning Approach

Cloud providers must assign heterogeneous compute resources to workflow DAGs while balancing competing objectives such as completion time, cost, and energy consumption. In this work, we study a single-workflow, queue-free scheduling setting and consider a graph neural network (GNN)-based deep reinforcement learning scheduler designed to minimize workflow completion time and energy usage. We identify specific out-of-distribution (OOD) conditions under which GNN-based deep reinforcement learning schedulers fail and provide a principled explanation of why these failures occur. Through controlled OOD evaluations, we demonstrate that performance degradation stems from structural mismatches between training and deployment environments, which disrupt message passing and undermine policy generalization. Our analysis exposes fundamental limitations of current GNN-based schedulers and highlights the need for more robust representations to ensure reliable scheduling performance under distribution shifts.

Anas Hattay, Fred Ngole Mboula, Eric Gascard +1

CEA, List, Université Paris-Saclay, France · Université Grenoble Alpes, CNRS, Grenoble INP, G-SCOP, France

Cloud Computing Reinforcement Learning OOD Generalization Graph Neural Networks

Apr 9, 2026

R2G: A Multi-View Circuit Graph Benchmark Suite from RTL to GDSII

Graph neural networks (GNNs) are increasingly applied to physical design tasks such as congestion prediction and wirelength estimation, yet progress is hindered by inconsistent circuit representations and the absence of controlled evaluation protocols. We present R2G (RTL-to-GDSII), a multi-view circuit-graph benchmark suite that standardizes five stage-aware views with information parity (every view encodes the same attribute set, differing only in where features attach) over 30 open-source IP cores (up to

10^6

nodes/edges). R2G provides an end-to-end DEF-to-graph pipeline spanning synthesis, placement, and routing stages, together with loaders, unified splits, domain metrics, and reproducible baselines. By decoupling representation choice from model choice, R2G isolates a confound that prior EDA and graph-ML benchmarks leave uncontrolled. In systematic studies with GINE, GAT, and ResGatedGCN, we find: (i) view choice dominates model choice, with Test R

^2

varying by more than 0.3 across representations for a fixed GNN; (ii) node-centric views generalize best across both placement and routing; and (iii) decoder-head depth (3--4 layers) is the primary accuracy driver, turning divergent training into near-perfect predictions (R

^2$$>

0.99). Code and datasets are available at https://github.com/ShenShan123/R2G.

Zewei Zhou, Jiajun Zou, Jiajia Zhang +8

Nanjing University of Science and Technology · The Chinese University of Hong Kong

Electronic Design Automation Graph Neural Networks Graph Representation Learning

Apr 9, 2026

Graph Neural Networks for Misinformation Detection: Performance-Efficiency Trade-offs

The rapid spread of online misinformation has led to increasingly complex detection models, including large language models and hybrid architectures. However, their computational cost and deployment limitations raise concerns about practical applicability. In this work, we benchmark graph neural networks (GNNs) against non-graph-based machine learning methods under controlled and comparable conditions. We evaluate lightweight GNN architectures (GCN, GraphSAGE, GAT, ChebNet) against Logistic Regression, Support Vector Machines, and Multilayer Perceptrons across seven public datasets in English, Indonesian, and Polish. All models use identical TF-IDF features to isolate the impact of relational structure. Performance is measured using F1 score, with inference time reported to assess efficiency. GNNs consistently outperform non-graph baselines across all datasets. For example, GraphSAGE achieves 96.8% F1 on Kaggle and 91.9% on WELFake, compared to 73.2% and 66.8% for MLP, respectively. On COVID-19, GraphSAGE reaches 90.5% F1 vs. 74.9%, while ChebNet attains 79.1% vs. 66.4% on FakeNewsNet. These gains are achieved with comparable or lower inference times. Overall, the results show that classic GNNs remain effective and efficient, challenging the need for increasingly complex architectures in misinformation detection.

Soveatin Kuntur, Maciej Krzywda, Anna Wróblewska +4

Warsaw University of Technology, plac Politechniki 1, 00-661 Warsaw, Poland · Corresponding author · AGH University of Krakow, Faculty of Physics and Applied Computer Science, Krakow, Poland +4

Graph Neural Networks Fake News Detection

Apr 8, 2026

Cluster Attention for Graph Machine Learning

Message Passing Neural Networks have recently become the most popular approach to graph machine learning tasks; however, their receptive field is limited by the number of message passing layers. To increase the receptive field, Graph Transformers with global attention have been proposed; however, global attention does not take into account the graph topology and thus lacks graph-structure-based inductive biases, which are typically very important for graph machine learning tasks. In this work, we propose an alternative approach: cluster attention (CLATT). We divide graph nodes into clusters with off-the-shelf graph community detection algorithms and let each node attend to all other nodes in each cluster. CLATT provides large receptive fields while still having strong graph-structure-based inductive biases. We show that augmenting Message Passing Neural Networks or Graph Transformers with CLATT significantly improves their performance on a wide range of graph datasets including datasets from the recently introduced GraphLand benchmark representing real-world applications of graph machine learning.

Oleg Platonov, Liudmila Prokhorenkova

HSE University, Yandex Research · Yandex Research

Graph Neural Networks Attention Mechanisms Graph Transformer

Apr 8, 2026

Validated Intent Compilation for Constrained Routing in LEO Mega-Constellations

Operating LEO mega-constellations requires translating high-level operator intents ("reroute financial traffic away from polar links under 80 ms") into low-level routing constraints -- a task that demands both natural language understanding and network-domain expertise. We present an end-to-end system comprising three components: (1) a GNN cost-to-go router that distills Dijkstra-quality routing into a 152K-parameter graph attention network achieving 99.8% packet delivery ratio with 17x inference speedup; (2) an LLM intent compiler that converts natural language to a typed constraint intermediate representation using few-shot prompting with a verifier-feedback repair loop, achieving 98.4% compilation rate and 87.6% full semantic match on feasible intents in a 240-intent benchmark (193 feasible, 47 infeasible); and (3) an 8-pass deterministic validator with constructive feasibility certification that achieves 0% unsafe acceptance on all 47 infeasible intents (30 labeled + 17 discovered by Pass 8), with 100% corruption detection across 240 structural corruption tests and 100% on 15 targeted adversarial attacks. End-to-end evaluation across four constrained routing scenarios confirms zero constraint violations with both routers. We further demonstrate that apparent performance gaps in polar-avoidance scenarios are largely explained by topological reachability ceilings rather than routing quality, and that the LLM compiler outperforms a rule-based baseline by 46.2 percentage points on compositional intents. Our system bridges the semantic gap between operator intent and network configuration while maintaining the safety guarantees required for operational deployment.

Yuanhang Li

Intent-Based Networking LEO Satellite Networks Graph Neural Networks Combinatorial Optimization

Apr 7, 2026

Graph-PiT: Enhancing Structural Coherence in Part-Based Image Synthesis via Graph Priors

Achieving fine-grained and structurally sound controllability is a cornerstone of advanced visual generation. Existing part-based frameworks treat user-provided parts as an unordered set and therefore ignore their intrinsic spatial and semantic relationships, which often results in compositions that lack structural integrity. To bridge this gap, we propose Graph-PiT, a framework that explicitly models the structural dependencies of visual components using a graph prior. Specifically, we represent visual parts as nodes and their spatial-semantic relationships as edges. At the heart of our method is a Hierarchical Graph Neural Network (HGNN) module that performs bidirectional message passing between coarse-grained part-level super-nodes and fine-grained IP+ token sub-nodes, refining part embeddings before they enter the generative pipeline. We also introduce a graph Laplacian smoothness loss and an edge-reconstruction loss so that adjacent parts acquire compatible, relation-aware embeddings. Quantitative experiments on controlled synthetic domains (character, product, indoor layout, and jigsaw), together with qualitative transfer to real web images, show that Graph-PiT improves structural coherence over vanilla PiT while remaining compatible with the original IP-Prior pipeline. Ablation experiments confirm that explicit relational reasoning is crucial for enforcing user-specified adjacency constraints. Our approach not only enhances the plausibility of generated concepts but also offers a scalable and interpretable mechanism for complex, multi-part image synthesis. The code is available at https://github.com/wolf-bailang/Graph-PiT.

Junbin Zhang, Meng Cao, Feng Tan +2

Guangdong Provincial Key Laboratory of Ultra High Definition Immersive Media Technology Shenzhen Graduate School, Peking University, China · Department of Computer Vision, Mohamed bin Zayed University of Artificial Intelligence, Abu Dhabi, United Arab Emirates

Image Generation Controllable Image Generation Compositional Image Generation Conditional Image Generation Graph Neural Networks

Apr 6, 2026

EAGLE: Edge-Aware Graph Learning for Proactive Delivery Delay Prediction in Smart Logistics Networks

Modern logistics networks generate rich operational data streams at every warehouse node and transportation lane -- from order timestamps and routing records to shipping manifests -- yet predicting delivery delays remains predominantly reactive. Existing predictive approaches typically treat this problem either as a tabular classification task, ignoring network topology, or as a time-series anomaly detection task, overlooking the spatial dependencies of the supply chain graph. To bridge this gap, we propose a hybrid deep learning framework for proactive supply chain risk management. The proposed method jointly models temporal order-flow dynamics via a lightweight Transformer patch encoder and inter-hub relational dependencies through an Edge-Aware Graph Attention Network (E-GAT), optimized via a multi-task learning objective. Evaluated on the real-world DataCo Smart Supply Chain dataset, our framework achieves consistent improvements over baseline methods, yielding an F1-score of 0.8762 and an AUC-ROC of 0.9773. Across four independent random seeds, the framework exhibits a cross-seed F1 standard deviation of only 0.0089 -- a 3.8 times improvement over the best ablated variant -- achieving the strongest balance of predictive accuracy and training stability among all evaluated models.

Zhiming Xue, Menghao Huo, Yujue Wang

College of Engineering, Northeastern University Boston, USA · School of Engineering, Santa Clara University Santa Clara, USA · Department of Chemistry and Chemical Biology, University of New Mexico Albuquerque, USA

Supply Chain Management Spatiotemporal Forecasting Graph Neural Networks

Apr 6, 2026

Empowering Power Outage Prediction with Spatially Aware Hybrid Graph Neural Networks and Contrastive Learning

Extreme weather events, such as severe storms, hurricanes, snowstorms, and ice storms, which are exacerbated by climate change, frequently cause widespread power outages. These outages halt industrial operations, impact communities, damage critical infrastructure, profoundly disrupt economies, and have far-reaching effects across various sectors. To mitigate these effects, the University of Connecticut and Eversource Energy Center have developed an outage prediction modeling (OPM) system to provide pre-emptive forecasts for electric distribution networks before such weather events occur. However, existing predictive models in the system do not incorporate the spatial effect of extreme weather events. To this end, we develop Spatially Aware Hybrid Graph Neural Networks (SA-HGNN) with contrastive learning to enhance the OPM predictions for extreme weather-induced power outages. Specifically, we first encode spatial relationships of both static features (e.g., land cover, infrastructure) and event-specific dynamic features (e.g., wind speed, precipitation) via Spatially Aware Hybrid Graph Neural Networks (SA-HGNN). Next, we leverage contrastive learning to handle the imbalance problem associated with different types of extreme weather events and generate location-specific embeddings by minimizing intra-event distances between similar locations while maximizing inter-event distances across all locations. Thorough empirical studies in four utility service territories, i.e., Connecticut, Western Massachusetts, Eastern Massachusetts, and New Hampshire, demonstrate that SA-HGNN can achieve state-of-the-art performance for power outage prediction.

Xuyang Shen, Zijie Pan, Diego Cerrai +4

University of Connecticut · Western Connecticut State University · Eversource Energy

Power Systems Graph Neural Networks

Apr 6, 2026

Relational Epipolar Graphs for Robust Relative Camera Pose Estimation

A key component of Visual Simultaneous Localization and Mapping (VSLAM) is estimating relative camera poses using matched keypoints. Accurate estimation is challenged by noisy correspondences. Classical methods rely on stochastic hypothesis sampling and iterative estimation, while learning-based methods often lack explicit geometric structure. In this work, we reformulate relative pose estimation as a relational inference problem over epipolar correspondence graphs, where matched keypoints are nodes and nearby ones are connected by edges. Graph operations such as pruning, message passing, and pooling estimate a quaternion rotation, translation vector, and the Essential Matrix (EM). Minimizing a loss comprising (i)

\mathcal{L}_2

differences with ground truth (GT), (ii) Frobenius norm between estimated and GT EMs, (iii) singular value differences, (iv) heading angle differences, and (v) scale differences, yields the relative pose between image pairs. The dense detector-free method LoFTR is used for matching. Experiments on indoor and outdoor benchmarks show improved robustness to dense noise and large baseline variation compared to classical and learning-guided approaches, highlighting the effectiveness of global relational consensus.

Prateeth Rao, Sachit Rao

International Institute of Information Technology Bangalore, 26/C, Electronic City, Hosur Road, Bangalore, 560 100, Karnataka, India.

Relative Pose Estimation Multi-View Geometry Graph Neural Networks

Apr 6, 2026

MAVEN: A Mesh-Aware Volumetric Encoding Network for Simulating 3D Flexible Deformation

Deep learning-based approaches, particularly graph neural networks (GNNs), have gained prominence in simulating flexible deformations and contacts of solids, due to their ability to handle unstructured physical fields and nonlinear regression on graph structures. However, existing GNNs commonly represent meshes with graphs built solely from vertices and edges. These approaches tend to overlook higher-dimensional spatial features, e.g., 2D facets and 3D cells, from the original geometry. As a result, it is challenging to accurately capture boundary representations and volumetric characteristics, though this information is critically important for modeling contact interactions and internal physical quantity propagation, particularly under sparse mesh discretization. In this paper, we introduce MAVEN, a mesh-aware volumetric encoding network for simulating 3D flexible deformation, which explicitly models geometric mesh elements of higher dimension to achieve a more accurate and natural physical simulation. MAVEN establishes learnable mappings among 3D cells, 2D facets, and vertices, enabling flexible mutual transformations. Explicit geometric features are incorporated into the model to alleviate the burden of implicitly learning geometric patterns. Experimental results show that MAVEN consistently achieves state-of-the-art performance across established datasets and a novel metal stretch-bending task featuring large deformations and prolonged contacts.

Zhe Feng, Shilong Tao, Haonan Sun +3

Academy for Advanced Interdisciplinary Studies, Peking University · School of Computer Science, Peking University · School of Electrical and Computer Science, University of Southampton

Deformable Object Simulation Graph Neural Networks Geometric Representation Learning

Apr 4, 2026

Motion-Adaptive Multi-Scale Temporal Modelling with Skeleton-Constrained Spatial Graphs for Efficient 3D Human Pose Estimation

Accurate 3D human pose estimation from monocular videos requires effective modelling of complex spatial and temporal dependencies. However, existing methods often face challenges in efficiency and adaptability when modelling spatial and temporal dependencies, particularly under dense attention or fixed modelling schemes. In this work, we propose MASC-Pose, a Motion-Adaptive multi-scale temporal modelling framework with Skeleton-Constrained spatial graphs for efficient 3D human pose estimation. Specifically, it introduces an Adaptive Multi-scale Temporal Modelling (AMTM) module to adaptively capture heterogeneous motion dynamics at different temporal scales, together with a Skeleton-constrained Adaptive GCN (SAGCN) for joint-specific spatial interaction modelling. By jointly enabling adaptive temporal reasoning and efficient spatial aggregation, our method achieves strong accuracy with high computational efficiency. Extensive experiments on Human3.6M and MPI-INF-3DHP datasets demonstrate the effectiveness of our approach.

Ruochen Li, Shuang Chen, Wenke E +2

Department of Computer Science, Durham University, UK

3D Human Pose Estimation Graph Neural Networks

Apr 3, 2026

Towards Near-Real-Time Telemetry-Aware Routing with Neural Routing Algorithms

Routing algorithms are crucial for efficient computer network operations, and in many settings they must be able to react to traffic bursts within milliseconds. Live telemetry data can provide informative signals to routing algorithms, and recent work has trained neural networks to exploit such signals for traffic-aware routing. Yet, aggregating network-wide information is subject to communication delays, and existing neural approaches either assume unrealistic delay-free global states, or restrict routers to purely local telemetry. This leaves their deployability in real-world environments unclear. We cast telemetry-aware routing as a delay-aware closed-loop control problem and introduce a framework that trains and evaluates neural routing algorithms, while explicitly modeling communication and inference delays. On top of this framework, we propose LOGGIA, a scalable graph neural routing algorithm that predicts log-space link weights from attributed topology-and-telemetry graphs. It utilizes a data-driven pre-training stage, followed by on-policy Reinforcement Learning. Across synthetic and real network topologies, and unseen mixed TCP/UDP traffic sequences, LOGGIA consistently outperforms shortest-path baselines, whereas neural baselines fail once realistic delays are enforced. Our experiments further suggest that neural routing algorithms like LOGGIA perform best when deployed fully locally, i.e., observing network states and inferring actions at every router individually, as opposed to centralized decision making.

Andreas Boltres, Niklas Freymuth, Benjamin Schichtholz +2

Autonomous Learning Robots, Karlsruhe Institute of Technology · Institute of Telematics, Karlsruhe Institute of Technology

Graph Neural Networks

Apr 3, 2026

Communication-free Sampling and 4D Hybrid Parallelism for Scalable Mini-batch GNN Training

Graph neural networks (GNNs) are widely used for learning on graph datasets derived from various real-world scenarios. Learning from extremely large graphs requires distributed training, and mini-batching with sampling is a popular approach for parallelizing GNN training. Existing distributed mini-batch approaches have significant performance bottlenecks due to expensive sampling methods and limited scaling when using data parallelism. In this work, we present ScaleGNN, a 4D parallel framework for scalable mini-batch GNN training that combines communication-free distributed sampling, 3D parallel matrix multiplication (PMM), and data parallelism. ScaleGNN introduces a uniform vertex sampling algorithm, enabling each process (GPU device) to construct its local mini-batch, i.e., subgraph partitions without any inter-process communication. 3D PMM enables scaling mini-batch training to much larger GPU counts than vanilla data parallelism with significantly lower communication overheads. We also present additional optimizations to overlap sampling with training, reduce communication overhead by sending data in lower precision, kernel fusion, and communication-computation overlap. We evaluate ScaleGNN on five graph datasets and demonstrate strong scaling up to 2048 GPUs on Perlmutter, 2048 GCDs on Frontier, and 1024 GPUs on Tuolumne. On Perlmutter, ScaleGNN achieves 3.5x end-to-end training speedup over the SOTA baseline on ogbn-products.

Cunyang Wei, Siddharth Singh, Aishwarya Sarkar +7

University of Maryland, College Park, USA · NVIDIA, Inc. · Iowa State University, USA +3

Graph Neural Networks Distributed Training Communication-Efficient Distributed Training Distributed Optimization

Apr 3, 2026

Analytic Drift Resister for Non-Exemplar Continual Graph Learning

Non-Exemplar Continual Graph Learning (NECGL) seeks to eliminate the privacy risks intrinsic to rehearsal-based paradigms by retaining solely class-level prototype representations rather than raw graph examples for mitigating catastrophic forgetting. However, this design choice inevitably precipitates feature drift. As a nascent alternative, Analytic Continual Learning (ACL) capitalizes on the intrinsic generalization properties of frozen pre-trained models to bolster continual learning performance. Nonetheless, a key drawback resides in the pronounced attenuation of model plasticity. To surmount these challenges, we propose Analytic Drift Resister (ADR), a novel and theoretically grounded NECGL framework. ADR exploits iterative backpropagation to break free from the frozen pre-trained constraint, adapting to evolving task graph distributions and fortifying model plasticity. Since parameter updates trigger feature drift, we further propose Hierarchical Analytic Merging (HAM), performing layer-wise merging of linear transformations in Graph Neural Networks (GNNs) via ridge regression, thereby ensuring absolute resistance to feature drift. On this basis, Analytic Classifier Reconstruction (ACR) enables theoretically zero-forgetting class-incremental learning. Empirical evaluation on four node classification benchmarks demonstrates that ADR maintains strong competitiveness against existing state-of-the-art methods.

Lei Song, Shihan Guan, Youyong Kong

School of Computer Science and Engineering, Southeast University, Nanjnig 211189, China

Incremental Learning Class-Incremental Learning Graph Neural Networks Distribution Shift

Apr 3, 2026

Complex-Valued GNNs for Distributed Basis-Invariant Control of Planar Systems

Graph neural networks (GNNs) are a well-regarded tool for learned control of networked dynamical systems due to their ability to be deployed in a distributed manner. However, current distributed GNN architectures assume that all nodes in the network collect geometric observations in compatible bases, which limits the usefulness of such controllers in GPS-denied and compass-denied environments. This paper presents a GNN parametrization that is globally invariant to choice of local basis. 2D geometric features and transformations between bases are expressed in the complex domain. Inside each GNN layer, complex-valued linear layers with phase-equivariant activation functions are used. When viewed from a fixed global frame, all policies learned by this architecture are strictly invariant to choice of local frames. This architecture is shown to increase the data efficiency, tracking performance, and generalization of learned control when compared to a real-valued baseline on an imitation learning flocking task.

Samuel Honor, Mohamed Abdelnaby, Kevin Leahy

Robotics Engineering Department, Worcester Polytechnic Institute, Worcester, MA 01609, USA

Graph Neural Networks Multi-Agent Control Complex-Valued Neural Networks

Apr 2, 2026

A Graph Neural Network Approach for Solving the Ranked Assignment Problem in Multi-Object Tracking

Associating measurements with tracks is a crucial step in Multi-Object Tracking (MOT) to guarantee the safety of autonomous vehicles. To manage the exponentially growing number of track hypotheses, truncation becomes necessary. In the

δ

-Generalized Labeled Multi-Bernoulli (

δ

-GLMB) filter application, this truncation typically involves the ranked assignment problem, solved by Murty's algorithm or the Gibbs sampling approach, both with limitations in terms of complexity or accuracy, respectively. With the motivation to improve these limitations, this paper addresses the ranked assignment problem arising from data association tasks with an approach that employs Graph Neural Networks (GNNs). The proposed Ranked Assignment Prediction Graph Neural Network (RAPNet) uses bipartite graphs to model the problem, harnessing the computational capabilities of deep learning. The conclusive evaluation compares the RAPNet with Murty's algorithm and the Gibbs sampler, showing accuracy improvements compared to the Gibbs sampler.

Robin Dehler, Martin Herrmann, Jan Strohbeck +1

The authors are with the Institute of Measurement, Control and Microtechnology, Ulm University, D-89081 Ulm, Germany.

Data Association Multi-Object Tracking Combinatorial Optimization Graph Neural Networks

Apr 1, 2026

EmbedPart: Embedding-Driven Graph Partitioning for Scalable Graph Neural Network Training

Graph Neural Networks (GNNs) are widely used for learning on graph-structured data, but scaling GNN training to massive graphs remains challenging. To enable scalable distributed training, graphs are divided into smaller partitions that are distributed across multiple machines such that inter-machine communication is minimized and computational load is balanced. In practice, existing partitioning approaches face a fundamental trade-off between partitioning overhead and partitioning quality. We propose EmbedPart, an embedding-driven partitioning approach that achieves both speed and quality. Instead of operating directly on irregular graph structures, EmbedPart leverages node embeddings produced during the actual GNN training workload and clusters these dense embeddings to derive a partitioning. EmbedPart achieves more than 100x speedup over Metis while maintaining competitive partitioning quality and accelerating distributed GNN training. Moreover, EmbedPart naturally supports graph updates and fast repartitioning, and can be applied to graph reordering to improve data locality and accelerate single-machine GNN training. By shifting partitioning from irregular graph structures to dense embeddings, EmbedPart enables scalable and high-quality graph data optimization.

Nikolai Merkel, Ruben Mayer, Volker Markl +1

Technical University of Munich (TUM) · University of Bayreuth · TU Berlin, BIFOLD, DFKI +1

Graph Neural Networks Distributed Training Graph Clustering

Apr 1, 2026

BLEG: LLM Functions as Powerful fMRI Graph-Enhancer for Brain Network Analysis

Graph Neural Networks (GNNs) have been widely used in diverse brain network analysis tasks based on preprocessed functional magnetic resonance imaging (fMRI) data. However, their performances are constrained due to high feature sparsity and inherent limitations of domain knowledge within uni-modal neurographs. Meanwhile, large language models (LLMs) have demonstrated powerful representation capabilities. Combining LLMs with GNNs presents a promising direction for brain network analysis. While LLMs and MLLMs have emerged in neuroscience, integration of LLMs with graph-based data remains unexplored. In this work, we deal with these issues by incorporating LLM's powerful representation and generalization capabilities. Considering great cost for directly tuning LLMs, we instead function LLM as enhancer to boost GNN's performance on downstream tasks. Our method, namely BLEG, can be divided into three stages. We firstly prompt LLM to get augmented texts for fMRI graph data, then we design a LLM-LM instruction tuning method to get enhanced textual representations at a relatively lower cost. GNN is trained together for coarsened alignment. Finally we finetune an adapter after GNN for given downstream tasks. Alignment loss between LM and GNN logits is designed to further enhance GNN's representation. Extensive experiments on different datasets confirmed BLEG's superiority.Code can be available at https://github.com/KamonRiderDR/BLEG.

Rui Dong, Zitong Wang, Jiaxing Li +2

School of Computer Science and Engineering, Southeast University

Brain Network Analysis Graph Neural Networks Multimodal Graph Learning LLMs for Graph Learning Text-Attributed Graph Learning

Apr 1, 2026

A Cross-graph Tuning-free GNN Prompting Framework

GNN prompting aims to adapt models across tasks and graphs without requiring extensive retraining. However, most existing graph prompt methods still require task-specific parameter updates and face the issue of generalizing across graphs, limiting their performance and undermining the core promise of prompting. In this work, we introduce a Cross-graph Tuning-free Prompting Framework (CTP), which supports both homogeneous and heterogeneous graphs, can be directly deployed to unseen graphs without further parameter tuning, and thus enables a plug-and-play GNN inference engine. Extensive experiments on few-shot prediction tasks show that, compared to SOTAs, CTP achieves an average accuracy gain of 30.8% and a maximum gain of 54%, confirming its effectiveness and offering a new perspective on graph prompt learning.

Yaqi Chen, Shixun Huang, Ryan Twemlow +6

University of Wollongong, Northfields Avenue, Gwynneville, 2500, NSW, Australia · Wuhan University, No. 299, Luojia Hill, Wuhan, 430072, Hubei, China

Graph Neural Networks Prompt Engineering

Mar 31, 2026

Disentangled Graph Prompting for Out-Of-Distribution Detection

When testing data and training data come from different distributions, deep neural networks (DNNs) will face significant safety risks in practical applications. Therefore, out-of-distribution (OOD) detection techniques, which can identify OOD samples at test time and alert the system, are urgently needed. Existing graph OOD detection methods usually characterize fine-grained in-distribution (ID) patterns from multiple perspectives, and train end-to-end graph neural networks (GNNs) for prediction. However, due to the unavailability of OOD data during training, the absence of explicit supervision signals could lead to sub-optimal performance of end-to-end encoders. To address this issue, we follow the pre-training+prompting paradigm to utilize pre-trained GNN encoders, and propose Disentangled Graph Prompting (DGP), to capture fine-grained ID patterns with the help of ID graph labels. Specifically, we design two prompt generators that respectively generate class-specific and class-agnostic prompt graphs by modifying the edge weights of an input graph. We also design several effective losses to train the prompt generators and prevent trivial solutions. We conduct extensive experiments on ten datasets to demonstrate the superiority of our proposed DGP, which achieves a relative AUC improvement of 3.63% over the best graph OOD detection baseline. Ablation studies and hyper-parameter experiments further show the effectiveness of DGP. Code is available at https://github.com/BUPT-GAMMA/DGP.

Cheng Yang, Yu Hao, Qi Zhang +1

the Beijing Key Lab of Intelligent Telecommunications Software and Multimedia, Beijing University of Posts and Telecommunications, China · China Mobile Group Shaanxi Co., Ltd.

OOD Detection Graph Neural Networks Prompt Engineering

Mar 31, 2026

Variational Graph Neural Networks for Uncertainty Quantification in Inverse Problems

The increasingly wide use of deep machine learning techniques in computational mechanics has significantly accelerated simulations of problems that were considered unapproachable just a few years ago. However, in critical applications such as Digital Twins for engineering or medicine, fast responses are not enough; reliable results must also be provided. In certain cases, traditional deterministic methods may not be optimal as they do not provide a measure of confidence in their predictions or results, especially in inverse problems where the solution may not be unique or the initial data may not be entirely reliable due to the presence of noise, for instance. Classic deep neural networks also lack a clear measure to quantify the uncertainty of their predictions. In this work, we present a variational graph neural network (VGNN) architecture that integrates variational layers into its architecture to model the probability distribution of weights. Unlike computationally expensive full Bayesian networks, our approach strategically introduces variational layers exclusively in the decoder, allowing us to estimate cognitive uncertainty and statistical uncertainty at a relatively lower cost. In this work, we validate the proposed methodology in two cases of solid mechanics: the identification of the value of the elastic modulus with nonlinear distribution in a 2D elastic problem and the location and quantification of the loads applied to a 3D hyperelastic beam, in both cases using only the displacement field of each test as input data. The results show that the model not only recovers the physical parameters with high precision, but also provides confidence intervals consistent with the physics of the problem, as well as being able to locate the position of the applied load and estimate its value, giving a confidence interval for that experiment.

David Gonzalez, Alba Muixi, Beatriz Moya +1

Keysight-UZ Chair of the Spanish National Strategy on AI. Aragon Institute of Engineering Research (I3A), Universidad de Zaragoza, Spain · Laboratori de Càlcul Numèric (LaCàn), Universitat Politècnica de Catalunya - BarcelonaTech (UPC), Spain · Centre Internacional de Mètodes Numèrics en Enginyeria (CIMNE), Barcelona, Spain +1

Uncertainty Quantification Graph Neural Networks Bayesian Inverse Problems Variational Inference Structural Mechanics

Mar 31, 2026

Software Vulnerability Detection Using a Lightweight Graph Neural Network

Large Language Models (LLMs) have emerged as a popular choice in vulnerability detection studies given their foundational capabilities, open source availability, and variety of models, but have limited scalability due to extensive compute requirements. Using the natural graph relational structure of code, we show that our proposed graph neural network (GNN) based deep learning model VulGNN for vulnerability detection can achieve performance almost on par with LLMs, but is 100 times smaller in size and fast to retrain and customize. We describe the VulGNN architecture, ablation studies on components, learning rates, and generalizability to different code datasets. As a lightweight model for vulnerability analysis, VulGNN is efficient and deployable at the edge as part of real-world software development pipelines.

Miles Farmer, Ekincan Ufuktepe, Anne Watson +4

Department of Electrical Engineering and Computer Science at the University of Missouri, MO, USA. · Software and Systems Division at the National Institute of Standards and Technology, Gaithersburg, MD, USA

Software Vulnerability Detection Graph Neural Networks

Mar 31, 2026

Efficient and Scalable Granular-ball Graph Coarsening Method for Large-scale Graph Node Classification

Graph Convolutional Network (GCN) is a model that can effectively handle graph data tasks and has been successfully applied. However, for large-scale graph datasets, GCN still faces the challenge of high computational overhead, especially when the number of convolutional layers in the graph is large. Currently, there are many advanced methods that use various sampling techniques or graph coarsening techniques to alleviate the inconvenience caused during training. However, among these methods, some ignore the multi-granularity information in the graph structure, and the time complexity of some coarsening methods is still relatively high. In response to these issues, based on our previous work, in this paper, we propose a new framework called Efficient and Scalable Granular-ball Graph Coarsening Method for Large-scale Graph Node Classification. Specifically, this method first uses a multi-granularity granular-ball graph coarsening algorithm to coarsen the original graph to obtain many subgraphs. The time complexity of this stage is linear and much lower than that of the exiting graph coarsening methods. Then, subgraphs composed of these granular-balls are randomly sampled to form minibatches for training GCN. Our algorithm can adaptively and significantly reduce the scale of the original graph, thereby enhancing the training efficiency and scalability of GCN. Ultimately, the experimental results of node classification on multiple datasets demonstrate that the method proposed in this paper exhibits superior performance. The code is available at https://anonymous.4open.science/r/1-141D/.

Guan Wang, Shuyin Xia, Lei Qian +4

School of Computer Science and Technology, Chongqing Key Laboratory of Computational Intelligence, Key Laboratory of Cyberspace Big Data Intelligent Security, Ministry of Education, Sichuan-Chongqing Co-construction Key Laboratory of Digital Economy Intelligence and Key Laboratory of Big Data Intelligent Computing, Chongqing University of Posts and Telecommunications, 400065, Chongqing, China. · School of Computer Science and Technology, School of Cyber Security and Information Law, Chongqing University of Posts and Telecommunications, 400065, Chongqing, China. · Chongqing Key Laboratory of Brain-Inspired Cognitive Computing and Educational Rehabilitation for Children with Special Needs, Chongqing Normal University, Chongqing, 401331, China. +1

Graph Coarsening Graph Neural Networks Node Classification