Graph Neural Networks

Also known as GNN

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Graph Neural Networks (GNNs) study how to learn from data whose entities and relationships form a graph, supporting tasks such as node classification, link prediction, and graph or molecular property prediction. Common approaches include message-passing networks such as GCN, GraphSAGE, and GIN, attention-based Graph Transformers, and spectral, geometric, or higher-order methods that encode richer structure. They are used on benchmarks such as Cora and ogbn-arxiv, as well as in molecular modeling, recommender systems, scientific simulation, and network control. Key open challenges include handling heterophilic graphs, preserving useful information in deep networks without oversmoothing or oversquashing, and achieving reliable generalization, robustness, and efficiency on large or shifting graphs.

Latest papers 686

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

Jul 13, 2026

Learning Subgroup Relations Using Siamese Graph Neural Networks

Determining whether one finite group is isomorphic to a subgroup of another is a fundamental problem in computational group theory. In this work, we propose a Siamese Graph Neural Network (Siamese GNN) for subgroup prediction using Cayley graph representations of finite groups. Each input group is represented by its undirected Cayley graph and encoded by one branch of a Siamese GNN to produce a graph embedding. The resulting graph embeddings are combined with algebraic features derived directly from the input groups to construct a joint feature vector, which is processed by a fully connected classifier to predict subgroup relations between finite groups. By integrating graph-based structural representations with algebraic features, the proposed framework provides a unified approach for learning subgroup relations from finite groups. Experimental results demonstrate the effectiveness of the proposed architecture, achieving a test accuracy of 95.9% (47/49) on an independent test set and illustrating the potential of geometric deep learning for subgroup prediction.

Tal Weissblat

Graph Neural Networks Graph Representation Learning

Jul 13, 2026

A Novel Graph Fraud Detector via Grouped Attribute Completion and Confidence-Aware Contrastive Learning

Graph fraud detection plays a pivotal role in safeguarding the security and integrity of modern digital ecosystems. Graph Neural Networks (GNNs) are commonly adopted for graph fraud detection. However, the practical performance of existing GNN-based detectors is severely hindered by incomplete node attributes and extreme class imbalance within graphs. To mitigate these limitations, this paper proposes a novel framework for Graph Fraud Detection with Grouped attribute completion and Confidence-aware Contrastive learning, named GFD-GC. Specifically, it first imitates heterogeneous neighborhood structures to implement group-wise aggregation, which obtains informative complete node features by capturing fine-grained graph contextual patterns. Further, it introduces a confidence-aware supervised contrastive learning strategy to augment scarce labeled fraud nodes with high confidence pseudo-fraud nodes, which enhances the compactness of fraud representations and their separability from non-fraud nodes. Extensive experiments demonstrate the superiority of the proposed GFD-GC over state-of-the-art baselines on the graph fraud detection task, thereby providing an effective solution for real-world fraud scenarios.

Junpeng Wu, Ye Yuan

College of Computer and Information Science Southwest University Chongqing, China

Graph Neural Networks Graph-Based Semi-Supervised Learning Supervised Contrastive Learning Anomaly Detection

Jul 13, 2026

GraspGraphNet: Graph-Structured Multi-Embodiment Dexterous Grasp Generation

Dexterous grasp generation across robot hands is challenging because hands differ in kinematic topology, actuation dimensions, and native command spaces. We introduce GraspGraphNet, a topology-aware grasp generation framework that represents each hand as a URDF-derived kinematic graph and directly generates executable palm poses and joint configurations. GraspGraphNet combines hierarchical object surface encoding, differentiable forward kinematics, and dynamic world-edge message passing to model evolving robot-object interactions. It applies conditional flow matching directly in executable palm-pose and joint-state space, avoiding post-processing optimization, inverse kinematics, and retargeting. Using a shared model trained on Barrett Hand, Allegro Hand, and Shadow Hand, GraspGraphNet achieves an average success rate of 83.48% with 40ms inference time per grasp on a 40-object benchmark. Without retraining, the same model achieves 72.70% success on controlled finger-removal variants, demonstrating robustness to hand-topology variations. These results suggest that graph-structured hand representations can effectively support dexterous grasp generation across robot hands with different kinematic structures. Project: https://lysees.github.io/graspgraphnet-page

Yeonseo Lee, Taeyeop Lee, Hyosup Shin +2

Korea Advanced Institute of Science and Technology (KAIST), Daejeon, South Korea.

Robotic Grasping Graph Neural Networks Generalization in Robotic Manipulation

Jul 12, 2026

When does distribution shift break graph neural networks calibration?

Graph neural networks (GNNs) are increasingly deployed in real-world applications where distribution shift is un-avoidable. However, how such shifts affect model calibration, defined as the agreement between predictive confidence and actual accuracy, remains poorly understood, and existing graph calibration methods typically rely on labeled validation data from the deployment distribution. In this work, I present the first closed-form theoretical characterization of GNN calibration under distribution shift. I show that calibration is governed by a single scalar quantity that explicitly depends on structural changes between the source and target graphs, as well as feature quality. This characterization precisely identifies when a model becomes over-confident, under-confident, or remains calibrated, and directly yields the optimal temperature scaling strategy. I further extend the analysis to graph convolutional networks with symmetric normalization, multi-class classification, and covariate shift, and derive a theoretical upper bound on the expected calibration error. My analysis also reveals that, under homogeneous distribution shift, a single global temperature is theoretically optimal, providing a principled explanation for why more complex node-wise recalibration methods offer no additional benefit. Building on these theoretical insights, I propose STAC, a source-free, label-free calibration method. Experiments on synthetic benchmarks demonstrate substantial calibration improvements, while evaluations on five real-world graph datasets show that reliable calibration without target labels remains challenging despite the strong predictive power of the theory.

Abderaouf Bahi

Computer Science and Applied Mathematics Laboratory (LIMA), Faculty of Science and Technology, Chadli Bendjedid University, El Tarf 36000, Algeria

Graph Neural Networks Model Calibration Uncertainty Calibration

Jul 11, 2026

SALT-GNN: Handling Dense Neighborhoods in Anti-Money Laundering Graphs via Statistics-Aware Attention

Money laundering threatens financial stability and exposes institutions to penalties, motivating automated detection. Because laundering schemes often emerge through relational patterns, graph neural networks (GNNs) are increasingly used for anti-money laundering (AML). Yet AML GNNs are typically evaluated with aggregate metrics such as overall F1 score, which hide an operational issue: high-activity recipient accounts concentrate many incoming transactions, making suspicious signals harder to isolate and costlier to investigate. We introduce a recipient-degree stratified evaluation that reports standard AML metrics across recipient-context density. Across three datasets (HI-Small, HI-Medium, and AMLSim-32k-5%), it reveals consistent degradation in dense recipient contexts, which we trace to three GNN characteristics: two known limitations that AML amplifies, i.e., (1) multiset non-discriminability and (2) cardinality blindness, and (3) an attention-specific effect: in dense neighborhoods, normalized attention attenuates weak but pattern-relevant multi-hop signals. Guided by this diagnosis, we propose SALT-GNN, a lightweight statistics-aware architecture that fuses degree-aware statistical aggregation with attention at each message-passing layer, so distributional and cardinality information shapes the node states used by subsequent attention steps. Ablations support fusion placement as a key factor in dense-context performance. On HI-Small and HI-Medium, SALT-GNN uses up to 77% fewer parameters than task-specific graph-transformer baselines while improving dense-context F1 score by 3-6 points; on AMLSim-32k-5%, it improves highest-degree F1 score by 16-20 points. The gains hold for both Transformer- and GAT-style attention, indicating that the benefit comes from where statistical and attentional evidence is fused rather than from a specific attention operator.

Lidia Losavio, Francesco Sovrano, Dario Fenoglio +2

Università della Svizzera italiana (USI) Lugano, Switzerland

Graph Attention Networks Graph Neural Networks Financial Fraud Detection

Jul 11, 2026

Distance-Preserving Embeddings in Inhomogeneous Random Graphs

Graph machine learning provides powerful tools for understanding complex networks and learning meaningful node representations. A central challenge, however, is designing embeddings with minimal distortion of both local and global functionals, such as shortest path lengths. Prior distortion guarantees for distance-preserving embeddings are worst-case in nature, producing overly pessimistic bounds that fail to capture the structure of typical large-scale networks. To address this, we analyze shortest-path approximation via landmark-based embeddings on inhomogeneous random graphs, a general model with type-dependent edge probabilities. By retaining shortest paths to a small set of reference nodes called landmarks, landmark-based methods effectively function as virtual graph spanners, where structural heterogeneity and controlled neighborhood expansion modeled via multi-type branching processes enable significantly tighter dimension-distortion trade-offs than classical worst-case bounds. We extend these guarantees to global, component-wide averages and unify the analysis across finite-type and continuous latent spaces through a novel metric sandwiching framework, establishing universal distortion bounds for general

L^2

kernel models, including heavy-tailed and power-law networks. Finally, we introduce a GNN-augmented variant that replaces rigid, computationally expensive exact shortest-path queries with flexible, structure-aware neural surrogates. By leveraging the inherent alignment between graph neural message-passing and the dynamic programming principles of shortest-path algorithms, our approach demonstrates that models trained on small-scale random graphs learn to extract universal distance-preserving features, achieving robust generalization to large-scale, real-world networks that match or exceed the fidelity of classical, exact landmark-based embeddings.

My Le, Luana Ruiz, Souvik Dhara

Department of Applied Mathematics & Statistics Johns Hopkins University Baltimore, MD 21218, USA · School of Industrial and Systems Engineering Georgia Institute of Technology Atlanta, GA 30332, USA

Graph Neural Networks Graph Embedding

Jul 10, 2026

Graph Neural Networks for Scalable and Transferable Node Centrality Approximation

Graph Neural Networks (GNNs) provide a learning-based framework for approximating graph quantities that are expensive to compute exactly. This paper investigates GNNs for scalable approximation of betweenness and closeness centrality, formulated as a node-ranking problem. Exact centrality values are used as supervision, and ranking quality is evaluated using Kendall's tau rank correlation. We study whether message-passing GNNs can learn transferable structural representations across different graph topologies rather than only fitting the distribution used during training. On unseen Erdos renyi graphs, the proposed models achieve tau = 0.851 for betweenness and tau = 0.894 for closeness. A large-scale betweenness model trained on graphs with N = 5,000 nodes achieves tau = 0.938, demonstrating scalability. Mixed-distribution training on Erdos renyi, Barabasi-Albert, and Gaussian Random Partition graphs improves betweenness transfer across graph families. In contrast, closeness centrality remains more sensitive to community-structured graphs and shows reduced transfer to real-world topologies. Finally, GNN inference achieves up to a 97.7x speedup over exact computation. These results show that mixed-distribution training can improve structural transfer in GNN-based centrality approximation, while identifying closeness centrality's sensitivity to topology as an open challenge.

Samra Sana, Giorgio Mantica, Saul Imbrici

Center for Nonlinear and Complex Systems, Università degli Studi dell’Insubria, Como, Italy

Graph Neural Networks Domain Generalization

Jul 10, 2026

Power Flow Feasibility Assessment Using Variational Graph Autoencoders

Data-driven methods, including graph neural networks, have been studied for accelerating power flow calculations in recent years, but very little attention has been paid to the solution feasibility, which can be obtained by traditional solvers. This paper presents a Variational Graph Autoencoder (VGAE) that detects the power flow solution feasibility, using the IEEE 118-bus case, to assess the validity of the solutions provided by AI-driven solvers.

Ferran Bohigas-Daranas, Hamid Latif-Martinez, Eduardo Prieto-Araujo +2

CITCEA UPC Barcelona, Spain · BNN UPC Barcelona,Spain

Graph Neural Networks Power Systems

Jul 10, 2026

Integrating Large Language Models and Graph Convolutional Networks for Semi-Supervised Image Classification

While the growing availability of image data has driven significant advances, labeling datasets remains costly and time-consuming. Therefore, semi-supervised approaches such as Graph Convolutional Networks (GCNs), which learn from both labeled and unlabeled data, have emerged as a promising solution. One of the primary challenges in applying GCNs to image classification is graph construction, since, unlike in citation networks or similar domains, images typically do not come with a predefined structural representation. For visual data, most studies construct graphs based on the similarity between feature vectors from pretrained deep learning backbones, typically by employing kNN or reciprocal kNN algorithms. Although Large Language Models (LLMs) have shown remarkable capability in capturing high-level semantics, their integration with GCNs for image classification remains underexplored. Aiming to fill this gap, our approach uses a Vision Language Model (VLM) to generate textual image descriptions, which are then processed by an LLM to estimate semantic similarity scores between connected images. These scores guide the pruning of edges in kNN and reciprocal kNN graphs, filtering out semantically irrelevant neighbors. Experimental results reveal that leveraging LLMs for graph refinement can improve classification accuracy, particularly for kNN graphs and some backbones. The source code is publicly available at http://gcnllm.lucasvalem.com.

Camila Piscioneri Magalhães, Lucas Pascotti Valem

Institute of Mathematics and Computer Science (ICMC) University of São Paulo (USP) São Carlos – SP – Brazil

Graph Neural Networks Graph-Based Semi-Supervised Learning Semi-Supervised Learning

Jul 10, 2026

PRecG: Legal Precedent Retrieval with Graph Neural Networks and Rhetorical Role Segmentation

Legal precedent retrieval is a fundamental task in legal case preparation, planning, litigation strategy, and legal research. Current approaches for automatic precedent retrieval map legal documents to a low-dimensional semantic space and compute similarity based on the proximity of their representations. These approaches treat legal documents as monolithic texts, ignoring the rhetorical organization of the legal technicalities. Ergo, they overlook nuanced legal meanings and fail to distinguish the contextual significance of legal entities and concepts that vary based on their rhetorical roles within the document. To address this insufficiency, we propose the PRecG pipeline that computes the similarity between pairs of legal judgments by hierarchically learning their representations. The process begins by decomposing each document into distinct semantic units (segments) based on the rhetorical roles of sentences. For each rhetorical segment, a knowledge graph is constructed to capture the legal entities and their relationships within the segment. Contextual representations of the entities are then learned and aggregated to derive segment-level embeddings. These embeddings are further integrated to produce a unified document-level representation, and finally, the semantic similarity between a pair of documents is computed. We validate the performance of the proposed approach through extensive experiments on a benchmark Indian legal dataset, comparing it against state-of-the-art baselines to demonstrate its effectiveness.

Devanshu Verma, Vasudha Bhatnagar, Vikas Kumar +1

aUniversity of Delhi, Delhi, India · bIBM Research, Bengaluru, India

Graph Neural Networks Legal IR Legal Document Analysis

Jul 9, 2026

Model Agnostic Graph Prompt Learning for Crystal Property Prediction

Graph Neural Networks have emerged as a powerful tool for the fast and accurate prediction of various crystal properties. These models often encode domain-specific knowledge into their graph encoding modules, which increases their parameter size and makes their performance heavily dependent on domain expertise. Added to this, explicitly incorporating all chemical and structural features, that might influence a specific crystal property into the GNN encoder, is a challenging task. In this work, we propose a soft prompt learning framework that captures latent features essential for property prediction, which are not explicitly provided to the GNN. We introduce a novel multilevel graph prompt learning framework comprising both node-level and graph-level soft prompts. At the node level, we capture the local chemical semantics of different atom types, while at the graph level, we encode the global structural symmetry of the crystal graph. Our proposed prompt learning framework is lightweight and seamlessly integrates with any existing GNN encoder. Extensive experiments on popular benchmark datasets show that incorporating prompt learning significantly improves (3% - 15%) the performance of state-of-the-art GNN models in crystal property prediction tasks. Furthermore, the learned soft prompts enable cross-property knowledge transfer, enhancing prediction performance for properties with limited training data. Code is available at https://github.com/shrimonmuke0202/Prompt.git

Shrimon Mukherjee, Kishalay Das, Partha Basuchowdhuri +2

School of Mathematical & Computational Sciences, Indian Association for the Cultivation of Science, Kolkata, India · Department of Computer Science and Engineering, Indian Institute of Technology Kharagpur, India

Graph Neural Networks Prompt Learning Materials Property Prediction

Jul 9, 2026

Pattern-Aware Graph Neural Networks for Handling Missing Data

Missing data is ubiquitous in real-world datasets. Traditional methods either discard incomplete samples or apply imputation techniques that ignore potentially informative missingness patterns, implicitly assuming that missingness occurs randomly. However, missingness patterns might provide additional information. We propose pattern-aware graph neural networks that explicitly encode which features are missing alongside observed values. We used four encoding strategies -- learned embeddings, frozen random embeddings, statistical features, and hierarchical representations -- across seven UCI datasets with naturally occurring missingness. Our Pattern-aware methods achieve substantial improvements over baselines, with an average improvement of 17% in balanced accuracy and 22% in F1-macro across all datasets. The benefits vary significantly by dataset: annealing shows dramatic improvement (+80% balanced accuracy), while hepatitis and soybean show minimal gains (+4--5%). Notably, even simple random pattern embeddings perform comparably to learned embeddings (0.650 vs 0.663 balanced accuracy), suggesting that distinguishing between patterns may be more important than task-specific optimization. Our ablation study reveals that attention mechanisms, while helpful, are not critical when pattern information is available -- simple mean aggregation with pattern awareness achieves 0.640 balanced accuracy compared to 0.645 for attention-based variants.

Minett Tran, Taehee Jeong

San Jose State University

Graph Neural Networks Learning with Missing Data Tabular Classification

Jul 9, 2026

EdgeRefine: Privacy-Utility Balance for Graphs via Jaccard Sampling under Edge Differential Privacy

Graph Neural Networks (GNNs) have shown considerable success in learning from graph-structured data, but their use in privacy-sensitive areas remains difficult because graph structure can leak sensitive link information. To satisfy edge-level differential privacy, a common approach is to inject noise into all elements of the graph's adjacency matrix, thereby obfuscating the existence of any single edge. However, stronger privacy requires more noise, and excessive noise reduces utility, making the privacy-utility balance a major barrier to practical privacy-preserving graph learning. To address this issue, we propose EdgeRefine, a local differential privacy framework that improves this trade-off through adaptive edge refinement. EdgeRefine first estimates edge-existence probabilities using Jaccard similarity and ranks edges for noisy edge removal. To ensure the sparsity and reliability of the final graph, it uses the privacy budget

ε

to determine the ratio of true to false edges, samples them separately based on this probability ranking, and controls the total number of edges with a separate sampling rate

k

. Extensive experiments show that EdgeRefine achieves accuracy comparable to the noise-free baseline and substantially outperforms other privacy-preserving methods across datasets and GNN architectures. Under privacy budget

ε= 2.5

, EdgeRefine improves node classification accuracy over state-of-the-art baselines by 17.8% on ACM under GAT and 19.7% on Cora under GCN. In graph classification, it achieves an average accuracy degradation of around 5% compared to the noise-free baseline. Under graph reconstruction attacks, EdgeRefine maintains relative absolute error levels above 1 across all privacy budgets, averaging 1.962 on Cora and 1.472 on AMAP, indicating strong resilience against privacy leakage.

Wenxiu Ding, Muzhi Liu, Zheng Yan +3

State Key Laboratory of Integrated Services Networks, School of Cyber Engineering, Xidian University, Xi’an, Shaanxi, China · School of Cyber Engineering, Xidian University, Xi’an, Shaanxi, China

Graph Neural Networks Privacy-Preserving ML Differential Privacy Gaussian Differential Privacy

Jul 8, 2026

A Graph Neural Network Model for Real-Time Gesture Recognition Based on sEMG Signals

For seemless control of advanced hand prostheses and augmented reality, accurate and immediate hand gestures recognition is essential. Surface electromyography (sEMG) signals obtained from the forearm are commonly employed for this purpose. In this paper, we present a novel approach for sEMG representation that utilizes graph networks which contain information about muscle activation patterns in the forearm. Based on these graph networks, we have developed a machine learning algorithm capable of real-time hand gesture recognition using a graph neural network. The algorithm's performance was evaluated using sEMG signals acquired from myoband, which has 8 electrodes placed around the forearm, involving 8 healthy subjects. The proposed method demonstrated an average classification accuracy of 99%, surpassing the performance of state-of-the-art techniques. The average time for both graph construction and prediction stood at 48ms utilizing a M1 pro CPU, rendering the approach well-suited for real-time applications.

Pragatheeswaran Vipulanandan, Kamal Premaratne, Manohar Murthi

Department of Electrical and Computer Engineering University of Miami Coral Gables, Florida, USA

EMG-Based Gesture Recognition Graph Neural Networks Gesture Recognition

Jul 8, 2026

Asymmetric Focal Loss Improves Graph Neural Network Prediction of Drug-Drug Interactions

Background: Graph neural networks improve computational prediction of polypharmacy side effects, but standard binary cross-entropy training allocates equal capacity to well-classified and difficult examples, potentially missing clinically significant interactions. We evaluated whether an asymmetric focal objective could improve multi-relational drug-drug interaction (DDI) prediction by emphasizing difficult positive interactions. Methods: ClinicalFocal loss was integrated into a relation-aware graph convolutional network using molecular fingerprints, physicochemical descriptors, and learned embeddings. The model was evaluated on TWOSIDES using five-fold cross-validation with identical experimental conditions (architecture, features, data partitions, hyperparameters, and random seeds) for ClinicalFocal loss and binary cross-entropy baseline. Results: ClinicalFocal loss increased accuracy from 0.699 to 0.892 (+19.3 percentage points) and F1 score from 0.700 to 0.894 (+19.4 percentage points). AUROC increased from 0.766 to 0.914, and AUCPR increased from 0.714 to 0.860. The false-negative rate decreased from 29.8% to 9.1%, while specificity increased from 69.6% to 87.5%. Overall classification error decreased from 30.1% to 10.8%, corresponding to a 64.1% relative reduction. Improvements were consistent across all five folds. Conclusions: Asymmetric focal optimization improved classification and ranking performance while achieving 90.9% recall for observed interaction triples, without modifying the underlying architecture. Loss-function design is a direct, tunable lever for improving graph-based DDI prediction.

Faranak Hatami, Mousa Moradi

Department of Chemistry, University of Illinois Chicago, Chicago, IL 60607, USA · Harvard Ophthalmology AI Lab, Schepens Eye Research Institute of Massachusetts Eye and Ear, Harvard Medical School, Boston, MA, USA

Class-Imbalanced Learning Graph Neural Networks

Jul 8, 2026

MVMGNN;Multi-View Masked Graph Neural Network for Alzheimer's Disease Diagnosis using Structural MRI

Alzheimer's disease (AD) is a common neurodegenerative disorder, and early diagnosis is of great significance for delaying disease progression and enabling timely intervention. Mild cognitive impairment (MCI), which represents an intermediate clinical stage between cognitively normal aging and AD. Structural magnetic resonance imaging (sMRI) provides detailed characterization of anatomical structures and plays an important role in AD-related brain analysis. However, existing sMRI-based brain network methods typically rely on a single graph construction strategy, limiting their ability to jointly capture spatial relationships and morphological similarities between brain regions. To address these issues, this paper proposes an sMRI-based multi-view masked graph neural network model (MVMGNN) for AD diagnosis. A joint node-edge masking mechanism is proposed to simultaneously select radiomics feature dimensions and structural connections, reducing redundancy during graph learning. Furthermore, a patient-level cross-view gated fusion mechanism is proposed to integrate multi-view representations. Experimental results on the ADNI dataset demonstrate that MVMGNN outperforms several competing approaches in AD classification. Interpretability analysis further demonstrates that MVMGNN is able to identify key brain regions associated with AD, providing useful insights into discriminative patterns in sMRI-based brain networks.Our implementation is publicly available at https://github.com/chenzhao2023/MVMGNN_AD

Ni Yao, Zhenxu Wang, Danyang Sun +6

School of Computer Science and Technology, Zhengzhou University of Light Industry, Zhengzhou 450002, Henan, China · Department of Computer Science, Kennesaw State University Marietta, GA, USA · Department of Applied Computing, Michigan Technological University, Houghton, MI, USA +1

Graph Neural Networks Multi-View Learning Medical Image Classification Alzheimer's Disease Classification Brain MRI

Jul 8, 2026

Structural Adversarial Attacks on Relational Deep Learning under Integrity Constraints

Relational Deep Learning (RDL) has become a standard methodology for machine learning on relational databases: the database is encoded as a heterogeneous temporal graph in which tuples become nodes and primary-key to foreign-key (PK-FK) dependencies become typed edges, over which a graph neural network is trained for downstream prediction. We study the adversarial robustness of this pipeline. We consider a white-box attacker who knows how the graph is built and the model is trained, reasons about perturbations on the graph, but can only act on the upstream database, by rewiring foreign-key references while preserving the integrity constraints of the schema (foreign-key validity, the degree-one FK constraint, and functional dependencies). This restricts the attacker to a constrained, combinatorial set of admissible edits under a global perturbation budget, which is intractable to explore exhaustively and made non-additive by GNN message passing. We investigate seven attack heuristics - two random sampling baselines and five gradient-guided variants that exploit differentiable edge masks - and evaluate them on the RelBench rel-f1 benchmark. Gradient-based attacks consistently outperform random baselines on regression tasks, whereas gains on classification are smaller, which we attribute to low label-flip rates and greater local stability of classification outputs.

Alan Gany, Bogdan Cautis, Silviu Maniu

Univ. Grenoble Alpes, CNRS, Grenoble INP, LIG Grenoble, France

Graph Neural Networks Adversarial Attacks Adversarial Robustness Relational Deep Learning Relational Databases

Jul 7, 2026

Generative Diffusion Models of Stochastic Graph Signals

Sampling stochastic signals supported on a graph underlies many graph machine learning tasks, including recommender systems, forecasting in financial markets, and wireless network optimization. In these settings, the target signals are realizations of unknown conditional distributions. However, prevailing approaches rely mostly on intricate, application-tailored designs that often regress to a conditional mean instead of sampling from the conditional law. This paper unifies such problems as conditional graph signal generative modeling and tackles them with a single denoising diffusion framework. We learn a reverse diffusion process, parametrized by graph neural networks (GNNs), that draws graph signals conditioned directly on the graph topology and on node-feature side information. The reverse process is realized by a novel architecture, the U-Graph Neural Network (U-GNN), which generalizes the image-convolutional U-Net to graph-structured signals. The U-GNN performs multi-resolution encoder--decoder processing in which pooling and unpooling reduce to a learned node selection, expressed by nested selection matrices, and a zero-padded lifting of coarse signals back to the full node set. The graph convolutions are carried out on the original graph, with a stride that sets their hop reach, so the U-GNN bypasses explicit graph coarsening at every resolution. We demonstrate our method on two generative tasks: stock price forecasting and optimal wireless resource allocation, with extensive numerical results in both domains.

Yiğit Berkay Uslu, Samar Hadou, Sergio Rozada +2

Dept. of Electrical and Systems Eng., University of Pennsylvania, Philadelphia, PA 19104 USA · Department of Signal Processing and Communications, King Juan Carlos University, Madrid, Spain

Graph Neural Networks Financial Forecasting Conditional Diffusion Models Graph Diffusion

Jul 7, 2026

Hardware-aware Graph Neural Networks prunning for embedded event-based vision

Event-based cameras are gaining popularity as the sensor of choice for mobile robotics, due to their high performance in dynamic environments. However, these applications require efficient real-time data processing with low latency and power consumption. One strategy to meet these stringent requirements is hardware acceleration of efficient algorithms that preserve the temporal sparsity of event data. In this work, we propose an optimization strategy for Graph Convolutional Neural Networks models aimed at adapting their architecture to the limited resources of embedded heterogeneous FPGA platforms. Our method incorporates hardware-aware pruning and quantization, taking into account the trade-off between on-chip memory savings and inference accuracy. Strategic exploration of the design space with Fine Grid Search and Greedy layer-wise Iterative Deepening Search methods enables flexible adaptation of the model architecture to the target platform. Our approach was evaluated across various network configurations and multiple datasets, resulting in BRAM memory reductions of 28.8% for CIFAR-10 (with a 1.65% decrease in accuracy), 31.4% for MNIST-DVS (accuracy drop of 3.55%), and 26.5% for N-Caltech101 (with a 5.18% accuracy reduction).

Piotr Wzorek, Kamil Jeziorek, Tomasz Kryjak

Embedded Perception and Autonomous Systems Group, AGH University of Krakow, Poland

Event-Based Vision Graph Neural Networks Hardware-Aware NAS FPGA-Based Neural Network Acceleration Neural Network Pruning

Jul 7, 2026

Visual graphs for image classification: does the structure affect performance?

Deep learning models have emerged in machine learning and related fields, demonstrating astonishing performance in various visual tasks. Despite their great success, however, these models are unable to fully encode intrinsic visual structures, and often ignore the spatial, topological, and semantic information contained within an image. Graph neural networks offer a good framework to face this aspect, but their effective use for visual tasks has been only partly explored and mainly starting from a limited perspective. This work aims to address this gap by conducting a systematic comparison of current graph construction techniques within the context of a fixed three-layer GCN architecture. Through an empirical study, it demonstrates in particular how the network structure affects performance and provides an important methodological contribution regarding the computational stages preceding graph utilization, which will be strongly influenced by the structure itself.

Alessandra Ibba

University of Sassari - Department of Engineering, Sassari, Italy

Graph Structure Learning Graph Neural Networks Image Classification

Jul 6, 2026

FAST: A Holistic Framework for Optimizing Memory-I/O, Computation, and Sampling in Temporal GNN Training

Temporal Graph Neural Networks (TGNNs) are widely used for learning from dynamic graphs in applications such as recommendation, social network analysis, and traffic forecasting. However, scaling TGNN training to large dynamic graphs remains challenging due to three intertwined bottlenecks: memory I/O, irregular computation, and temporal neighbor sampling. Existing systems often optimize these stages in isolation, leaving substantial performance headroom on the table. We present FAST, a holistic framework that accelerates end-to-end TGNN training by jointly optimizing sampling, memory I/O, and computation. FAST introduces SlimCache, which exploits within-batch compression and cross-batch caching to reduce host-device data movement under limited GPU memory budgets. It further designs thread-efficient graph operators tailored to sparse temporal subgraphs, improving GPU cache locality and reducing the latency of aggregation and edge softmax. In addition, FAST employs a topology-aware sampling strategy that improves CPU cache locality and accelerates temporal neighbor sampling. Extensive experiments on real-world large dynamic graphs show that FAST achieves an average of 2.1x (up to 4.7x) speedup over state-of-the-art systems without sacrificing model accuracy.

Yushu Cai, Qingrui Zhu, Lei Liu +3

Xidian University Guangzhou, Guangdong, China · Hunan University Changsha, Hunan, China

Temporal GNNs Graph Neural Networks GPU Kernel Optimization

Jul 6, 2026

Hyperparameter Transfer in Graph Neural Networks

The performance of deep learning models crucially depends on the settings of hyperparameters like learning rate, initialization scale, and weight decay. Hyperparameter transfer aims to make near-optimal hyperparameter settings consistent across model scale, so that large models can be optimized by proxy tuning their smaller, cheaper-to-optimize counterparts. While transfer principles are well-studied in the context of dense neural networks in language and vision tasks, they remain comparatively under-explored for graph neural networks (GNNs). We develop and validate a transfer parameterization for GNNs trained with SGD, Adam, and AdamW. Through theoretical scaling analyses and controlled experiments, we show that the proposed parameterization yields stable feature updates, learning rate transfer, and improved performance as width and depth increase. For SGD, we identify graph-dependent first-layer correction factors and show that their use can accelerate early training in graphs with sparse bag-of-words inputs. For Adam, we explore how different message passing normalizations affect early- and late-training transfer behavior, illustrating the importance of message passing normalization and advocating for an associated hyperparameter. For AdamW, we adapt a parameterization that allows for the joint transfer of weight decay and learning rate. Together, these results provide a practical recipe for scaling GNNs across a variety of learning tasks and training scenarios.

Gage DeZoort, Boris Hanin

Department of Operations Research and Financial Engineering · School of Engineering and Applied Science · Princeton University +1

Graph Neural Networks Neural Network Optimization Hyperparameter Transfer Neural Scaling Laws

Jul 6, 2026

Towards Personalized Differentially Private Learning for Decentralized Local Graphs

Graph-structured data is increasingly generated and stored in decentralized environments, such as social platforms, mobile applications, and edge networks, where users maintain control over their local graph data. However, collecting and analyzing such decentralized graph data for downstream learning tasks raises significant privacy concerns, as nodes and their attributes often contain sensitive personal information. Local Differential Privacy (LDP) has emerged as a promising solution for privacy-preserving data collection without relying on trusted servers. Nevertheless, existing LDP-based graph learning methods typically assume uniform privacy requirements across users, ignoring the heterogeneous and personalized privacy preferences commonly observed in real-world systems. This uniform treatment leads to inflexible noise injection at the data collection stage, resulting in substantial distortion of graph data and degraded utility in subsequent analysis. To address this limitation, we propose PPGNN, a personalized differentially private framework for decentralized graph data. PPGNN enables user-specific privacy budgets during local perturbation while preserving analytical utility. To handle heterogeneous privacy levels and noise distortion, we design a two-stage solution consisting of a Personalized Perturbation Mechanism (PPM) and a weighted calibration strategy, FlexProp. Extensive experiments on six real-world graph datasets demonstrate that PPGNN effectively balances personalized privacy protection and data utility in decentralized graph learning scenarios.

Longzhu He, Peng Tang, Chaozhuo Li +5

School of Computer Science, Beijing University of Posts and Telecommunications, Beijing 100876, China · State Key Laboratory of Networking and Switching Technology, Beijing University of Posts and Telecommunications, Beijing 100876, China · School of Cyber Science and Technology, Shandong University, Qingdao, China +2

Graph Neural Networks Decentralized Learning Privacy-Preserving ML Differential Privacy

Jul 5, 2026

On Preserving Geometrical Invariance for Superpixel Image Classification using Graph Transformer

Convolutional Neural Network (CNN) and Vision Transformer (ViT) for image classification exploit a dense grid of pixels containing redundant information. Consequently, for a larger image dataset, CNNs and ViTs face deployability challenges due to high computational complexity. Representing images as graphs of superpixels offers an efficient alternative that preserves key information while eliminating pixel-level redundancy. Graph Neural Networks (GNNs) have been utilized on such graphs to perform image classification. However, GNNs are known to struggle with capturing long-range dependencies which is important in the domain of image classification. Furthermore, a majority of these superpixel-based image classification approaches do not explicitly preserve translation/rotation invariance. Nevertheless, preserving translation/rotation invariance is important for robust image classification. Thus, this paper proposes SuperGT, a Graph Transformer-based framework for image classification, which captures the long range dependencies, along with a pre-processing scheme that preserves translation/rotation invariance. We evaluate SuperGT on CIFAR-10 dataset and observe that it performs significantly better than many baselines. Furthermore, we note that the overall performance of SuperGT is comparable to the previous state-of-the-art model, namely, ShapeGNN, without relying on coordinates of the boundary points of each superpixel required by ShapeGNN.

Sarabeshwar Balaji, Shubham Mohanty, Akash Anil

Indian Institute of Science Education and Research Bhopal, Bhopal, Madhya Pradesh, 462066, India

Graph Neural Networks Invariant Representation Learning Graph Transformer Image Classification

Jul 5, 2026

Target-Aware Interaction-Guided Reinforcement Learning for Black-Box Node Injection Attacks on Graph Neural Networks

Graph Neural Networks (GNNs) have achieved remarkable performance in graph representation learning, yet their inherent vulnerability to adversarial attacks poses severe security risks. Especially, black-box node injection attacks have become a major threat to GNNs since they inject malicious nodes without altering the original graph topology. However, they typically decouple the generation of malicious node features and edge connections, thereby resulting in suboptimal attack efficacy under stringent budgets. To address this critical issue, this study proposes a novel Target-aware Interaction-guided Reinforcement learning for Black-box node injection Attacks on GNNs (TIRBA), which formulates the attack as a Markov Decision Process and jointly optimizes node feature generation and edge construction in a heterogeneous action space. Firstly, TIRBA designs a target-aware interaction encoder to fuse information of node features and edges. Further, it introduces a class-center guidance mechanism to utilize prior class distribution information, thereby guiding efficient exploration of the high-dimensional feature space. Finally, a topology difference-aware state value evaluation is adopted to explicitly capture local structural anomalies caused by injected nodes, thereby stabilizing the reinforcement learning training process. Experimental results demonstrate that the proposed TIRBA significantly outperforms state-of-the-art black-box node injection attack methods.

Yi Lan, Ye Yuan

College of Computer and Information Science, Southwest University, Tiansheng Road, Chongqing, 400715, China

Graph Neural Networks Reinforcement Learning Black-Box Adversarial Attacks

Jul 4, 2026

SGF-CDNet: A Consistency-Discrepancy Graph Network over Semantic-Geometric Fused Nodes for Face Forgery Detection

The rapid advancement of deepfakes necessitates robust face forgery detection. Although forged faces may lack obvious artifacts, they often contain subtle disharmony among different facial regions. We propose SGF-CDNet, a Consistency-Discrepancy Graph Network (CD-GNN) over Semantic-Geometric Fused (SGF) nodes. First, SGF-CDNet constructs SGF nodes by deeply fusing semantic regions from face parsing with geometric information from facial landmarks, allowing nodes to capture both high-level concepts and precise geometric constraints. Next, a dual-path CD-GNN performs parallel relational reasoning on these nodes across two dimensions: consistency and discrepancy. The consistency path evaluates if facial components follow natural biological patterns, while the discrepancy path mines for structural tensions and feature conflicts introduced by forgeries. By integrating these processes, our model effectively identifies disharmonious relationships between facial components. Extensive experiments on public datasets demonstrate that SGF-CDNet achieves superior performance, establishing it as a reliable solution for face forgery detection.

Jiayao Jiang, Bin Liu, Nenghai Yu

School of Cyber Science and Technology, University of Science and Technology of China, China · Anhui Province Key Laboratory of Digital Security, China

Graph Neural Networks Image Forgery Detection Deepfake Detection

Jul 4, 2026

Foundations of Equivariant Deep Learning: Unifying Graph and Sheaf Neural Networks

Symmetry is everywhere in nature and society. Geometric deep learning exploits symmetries in data to improve the performance and efficiency of deep learning systems. In this paper, we extend geometric deep learning to utilize richer symmetry structures. Specifically, we develop order-equivariant neural networks (OENN), which generalize standard graph message passing and sheaf neural networks via the theory of equivariant bundles over face posets (face categories). We (i) characterize all linear order-equivariant maps, (ii) build OENN layers, and (iii) prove universal approximation theorems (UATs) for continuous order-equivariant maps, which are new results even when restricted to sheaf neural networks (for which no UAT was known before). We illustrate the framework on graph and sheaf models. Our results can also be seen as extending the known UAT for graph neural networks to a more general setting that subsumes sheaf neural networks as well. In addition, we show that OENN can be extended further to CENN, Category-Equivariant Neural Network, which gives the general form of equivariant neural networks as well as of equivariant universal approximation theorems, allowing us to leverage categorical symmetry in data (e.g., non-invertible symmetries on multiple objects with compositional relations on those symmetries).

Yoshihiro Maruyama

Department of Mathematical and Information Sciences, Kyoto University, Kyoto, Japan.

Graph Neural Networks Equivariant Neural Networks Sheaf Neural Networks Neural Network Approximation Theory Equivariant Representation Learning

Jul 3, 2026

Graph Neural Networks for the Graphical Bootstrap

We study a graph classification problem involving over 20 million graphs, arising from high-order perturbative computations of correlators in planar

\mathcal{N}=4

super-Yang--Mills, a model closely related to the theory of the strong nuclear force. We benchmark graph neural networks, including graph transformers, achieving robust generalization to larger graphs with up to

99.996\%

ROC AUC. Then, we analyze how the models can be used to gain a computational speedup compared to the traditional graphical bootstrap algorithm, through shrinking the redundant data by up to

85.5\%

at the level of denominator graphs. Finally, we study the embeddings of the models to investigate their interpretability.

Rigers Aliaj, Gabriele Dian, Reza Doobary +1

Deutsches Elektronen-Synchrotron DESY Hamburg, Germany · Independent Researcher United Kingdom · Department of Mathematical Sciences, Durham University Durham, United Kingdom

Graph Neural Networks High-Energy Physics Graph Classification Graph Transformer

Jul 3, 2026

Enhanced Feature Extraction for IoT Network Intrusion Detection Using GNNs and KAN

Recent advancements in the Internet of Things (IoT) emphasize the urgent need for advanced network security, as IoT networks feature dynamic topologies, imbalanced traffic, and complex attack patterns. Unlike general IT networks, IoT environments exhibit extreme heterogeneity and sparse topologies. Traditional GNN-based intrusion detection methods often struggle to efficiently model node and edge features or capture fine-grained anomalies in such settings. To address this, we propose SKGFusionKAN, a novel IoT-tailored approach enhancing GraphSAGE with a multi-scale selective kernel attention mechanism. This enables adaptive extraction of node and edge features under diverse traffic conditions. Specifically, our edge-oriented message passing strengthens information propagation, while selective kernel attention adaptively weights edge-derived information from different scales to handle heterogeneity. We also introduce a gated fusion process to dynamically integrate multi-scale features, improving robustness against evolving attacks. Finally, we leverage Kolmogorov-Arnold Networks (KAN) for classification, offering superior nonlinear modeling capabilities essential for detecting intricate, low-frequency attacks. To our knowledge, this work presents a comprehensive integration of GNNs and KAN with dedicated architectural innovations for IoT intrusion detection. Extensive experiments on four NIDS benchmarks show that SKGFusionKAN consistently outperforms state-of-the-art approaches in binary and multiclass tasks, demonstrating its potential for IoT security.

Long Zhao, Shixun Ji, Bin Cheng +1

Department of Control Science & Engineering, Tongji University, Shanghai 201804, China · National Key Laboratory of Autonomous Intelligent Unmanned Systems, Shanghai 201203, China

Graph Neural Networks IoT Intrusion Detection Network Intrusion Detection Multi-Scale Feature Fusion Graph Embedding

Jul 2, 2026

SA-HGNN: Sample-Adaptive Hyperbolic Graph Neural Network for EEG-Based Depression Recognition

Graph Neural Networks (GNNs) have been widely used to capture spatial functional connectivity patterns to improve electroencephalography (EEG)-based depression recognition performance. However, the functional connectivity of brain networks in patients with depression exhibits an inherent hierarchical structure, making it difficult to capture accurate connection patterns. To address these issues, this paper proposes a novel model named Sample-Adaptive Hyperbolic Graph Neural Network (SA-HGNN), which aims to accurately extract the authentic hierarchical structure of depression-affected brain networks. Specifically, the proposed model comprises three core modules. First, a Sample-Adaptive Graph Construction module dynamically constructs personalized brain network topologies to capture more complex spatial relationships within the brain network. Second, hyperbolic graph convolution is employed to overcome the representation bottlenecks of Euclidean space, leveraging hyperbolic geometry to precisely capture latent hierarchical relationships within the brain network. Finally, an Attention Pooling module adaptively filters out highly redundant noise channels in EEG signals, effectively mitigating the interference of inherent noise on the authentic hierarchical topology. Extensive experiments on public EEG datasets demonstrate the superior performance of our method across resting-state and task-related paradigms, validating its robustness to noise and efficacy in capturing abnormal functional connectivity patterns in brain networks of patients with depression.

Yang Li, Pan Hu, Yan Zhang +3

School of Software Engineering, Huazhong University of Science and Technology, Wuhan, Hubei, China

Graph Structure Learning Electroencephalography Graph Neural Networks Depression Detection Hierarchical Representation Learning