The concept of Compressed Sensing-aided Space-Frequency Index Modulation (CS-SFIM) is conceived for the Large-Scale Multi-User Multiple-Input Multiple-Output Uplink (LS-MU-MIMO-UL) of Next-Generation (NG) networks. Explicitly, in CS-SFIM, the information bits are mapped to both spatial- and frequency-domain indices, where we treat the activation patterns of the transmit antennas and of the subcarriers separately. Serving a large number of users in an MU-MIMO-UL system leads to substantial Multi-User Interference (MUI). Hence, we design the Space-Frequency (SF) domain matrix as a joint factor graph, where the Approximate Message Passing (AMP) and Expectation Propagation (EP) based MU detectors can be utilized. In the LS-MU-MIMO-UL scenario considered, the proposed system uses optimal Maximum Likelihood (ML) and Minimum Mean Square Error (MMSE) detectors as benchmarks for comparison with the proposed MP-based detectors. These MP-based detectors significantly reduce the detection complexity compared to ML detection, making the design eminently suitable for LS-MU scenarios. To further reduce the detection complexity and improve the detection performance, we propose a pair of Graph Neural Network (GNN) based detectors, which rely on the orthogonal AMP (OAMP) and on the EP algorithm, which we refer to as the GNN-AMP and GEPNet detectors, respectively. The GEPNet detector maximizes the detection performance, while the GNN-AMP detector strikes a performance versus complexity trade-off. The GNN is trained for a single system configuration and yet it can be used for any number of users in the system. The simulation results show that the GNN-based detector approaches the ML performance in various configurations.
Accurate Subseasonal-to-Seasonal (S2S) ocean simulation is critically important for marine research, yet remains challenging due to its substantial thermal inertia and extended time delay. Machine learning (ML)-based models have demonstrated significant advancements in simulation accuracy and computational efficiency compared to traditional numerical methods. Nevertheless, a significant limitation of current ML models for S2S ocean simulation is their inadequate incorporation of physical consistency and the slow-changing properties of the ocean system. In this work, we propose a neural ocean model (NeuralOM) for S2S ocean simulation with a multi-scale interactive graph neural network to emulate diverse physical phenomena associated with ocean systems effectively. Specifically, we propose a multi-stage framework tailored to model the ocean's slowly changing nature. Additionally, we introduce a multi-scale interactive messaging module to capture complex dynamical behaviors, such as gradient changes and multiplicative coupling relationships inherent in ocean dynamics. Extensive experimental evaluations confirm that our proposed NeuralOM outperforms state-of-the-art models in S2S and extreme event simulation. The codes are available at https://github.com/YuanGao-YG/NeuralOM.
Visual loop closure detection traditionally relies on place recognition methods to retrieve candidate loops that are validated using computationally expensive RANSAC-based geometric verification. As false positive loop closures significantly degrade downstream pose graph estimates, verifying a large number of candidates in online simultaneous localization and mapping scenarios is constrained by limited time and compute resources. While most deep loop closure detection approaches only operate on pairs of keyframes, we relax this constraint by considering neighborhoods of multiple keyframes when detecting loops. In this work, we introduce LoopGNN, a graph neural network architecture that estimates loop closure consensus by leveraging cliques of visually similar keyframes retrieved through place recognition. By propagating deep feature encodings among nodes of the clique, our method yields high-precision estimates while maintaining high recall. Extensive experimental evaluations on the TartanDrive 2.0 and NCLT datasets demonstrate that LoopGNN outperforms traditional baselines. Additionally, an ablation study across various keypoint extractors demonstrates that our method is robust, regardless of the type of deep feature encodings used, and exhibits higher computational efficiency compared to classical geometric verification baselines. We release our code, supplementary material, and keyframe data at https://loopgnn.cs.uni-freiburg.de.
Designing analog circuits from performance specifications is a complex, multi-stage process encompassing topology selection, parameter inference, and layout feasibility. We introduce FALCON, a unified machine learning framework that enables fully automated, specification-driven analog circuit synthesis through topology selection and layout-constrained optimization. Given a target performance, FALCON first selects an appropriate circuit topology using a performance-driven classifier guided by human design heuristics. Next, it employs a custom, edge-centric graph neural network trained to map circuit topology and parameters to performance, enabling gradient-based parameter inference through the learned forward model. This inference is guided by a differentiable layout cost, derived from analytical equations capturing parasitic and frequency-dependent effects, and constrained by design rules. We train and evaluate FALCON on a large-scale custom dataset of 1M analog mm-wave circuits, generated and simulated using Cadence Spectre across 20 expert-designed topologies. Through this evaluation, FALCON demonstrates >99\% accuracy in topology inference, <10\% relative error in performance prediction, and efficient layout-aware design that completes in under 1 second per instance. Together, these results position FALCON as a practical and extensible foundation model for end-to-end analog circuit design automation.
Fire safety is crucial for ensuring the stability of building structures, yet evaluating whether a structure meets fire safety requirement is challenging. Fires can originate at any point within a structure, and simulating every potential fire scenario is both expensive and time-consuming. To address this challenge, we propose the concept of the Most Fire-Sensitive Point (MFSP) and an efficient machine learning framework for its identification. The MFSP is defined as the location at which a fire, if initiated, would cause the most severe detrimental impact on the building's stability, effectively representing the worst-case fire scenario. In our framework, a Graph Neural Network (GNN) serves as an efficient and differentiable agent for conventional Finite Element Analysis (FEA) simulators by predicting the Maximum Interstory Drift Ratio (MIDR) under fire, which then guides the training and evaluation of the MFSP predictor. Additionally, we enhance our framework with a novel edge update mechanism and a transfer learning-based training scheme. Evaluations on a large-scale simulation dataset demonstrate the good performance of the proposed framework in identifying the MFSP, offering a transformative tool for optimizing fire safety assessments in structural design. All developed datasets and codes are open-sourced online.
Graph Neural Network-based methods face privacy leakage risks due to the introduction of topological structures about the targets, which allows attackers to bypass the target's prior knowledge of the sensitive attributes and realize membership inference attacks (MIA) by observing and analyzing the topology distribution. As privacy concerns grow, the assumption of MIA, which presumes that attackers can obtain an auxiliary dataset with the same distribution, is increasingly deviating from reality. In this paper, we categorize the distribution diversity issue in real-world MIA scenarios as an Out-Of-Distribution (OOD) problem, and propose a novel Graph OOD Membership Inference Attack (GOOD-MIA) to achieve cross-domain graph attacks. Specifically, we construct shadow subgraphs with distributions from different domains to model the diversity of real-world data. We then explore the stable node representations that remain unchanged under external influences and consider eliminating redundant information from confounding environments and extracting task-relevant key information to more clearly distinguish between the characteristics of training data and unseen data. This OOD-based design makes cross-domain graph attacks possible. Finally, we perform risk extrapolation to optimize the attack's domain adaptability during attack inference to generalize the attack to other domains. Experimental results demonstrate that GOOD-MIA achieves superior attack performance in datasets designed for multiple domains.
Researchers have proposed various methods of incorporating more structured information into the design of Graph Neural Networks (GNNs) to enhance their expressiveness. However, these methods are either computationally expensive or lacking in provable expressiveness. In this paper, we observe that the chords increase the complexity of the graph structure while contributing little useful information in many cases. In contrast, chordless structures are more efficient and effective for representing the graph. Therefore, when leveraging the information of cycles, we choose to omit the chords. Accordingly, we propose a Chordless Structure-based Graph Neural Network (CSGNN) and prove that its expressiveness is strictly more powerful than the k-hop GNN (KPGNN) with polynomial complexity. Experimental results on real-world datasets demonstrate that CSGNN outperforms existing GNNs across various graph tasks while incurring lower computational costs and achieving better performance than the GNNs of 3-WL expressiveness.
Understanding pain-related facial behaviors is essential for digital healthcare in terms of effective monitoring, assisted diagnostics, and treatment planning, particularly for patients unable to communicate verbally. Existing data-driven methods of detecting pain from facial expressions are limited due to interpretability and severity quantification. To this end, we propose GraphAU-Pain, leveraging a graph-based framework to model facial Action Units (AUs) and their interrelationships for pain intensity estimation. AUs are represented as graph nodes, with co-occurrence relationships as edges, enabling a more expressive depiction of pain-related facial behaviors. By utilizing a relational graph neural network, our framework offers improved interpretability and significant performance gains. Experiments conducted on the publicly available UNBC dataset demonstrate the effectiveness of the GraphAU-Pain, achieving an F1-score of 66.21% and accuracy of 87.61% in pain intensity estimation.
Graph Anomaly Detection (GAD) in heterogeneous networks presents unique challenges due to node and edge heterogeneity. Existing Graph Neural Network (GNN) methods primarily focus on homogeneous GAD and thus fail to address three key issues: (C1) Capturing abnormal signal and rich semantics across diverse meta-paths; (C2) Retaining high-frequency content in HIN dimension alignment; and (C3) Learning effectively from difficult anomaly samples with class imbalance. To overcome these, we propose ChiGAD, a spectral GNN framework based on a novel Chi-Square filter, inspired by the wavelet effectiveness in diverse domains. Specifically, ChiGAD consists of: (1) Multi-Graph Chi-Square Filter, which captures anomalous information via applying dedicated Chi-Square filters to each meta-path graph; (2) Interactive Meta-Graph Convolution, which aligns features while preserving high-frequency information and incorporates heterogeneous messages by a unified Chi-Square Filter; and (3) Contribution-Informed Cross-Entropy Loss, which prioritizes difficult anomalies to address class imbalance. Extensive experiments on public and industrial datasets show that ChiGAD outperforms state-of-the-art models on multiple metrics. Additionally, its homogeneous variant, ChiGNN, excels on seven GAD datasets, validating the effectiveness of Chi-Square filters. Our code is available at https://github.com/HsipingLi/ChiGAD.
Data-driven approaches for depression diagnosis have emerged as a significant research focus in neuromedicine, driven by the development of relevant datasets. Recently, graph neural network (GNN)-based models have gained widespread adoption due to their ability to capture brain channel functional connectivity from both spatial and temporal perspectives. However, their effectiveness is hindered by the absence of a robust temporal biomarker. In this paper, we introduce a novel and effective biomarker for depression diagnosis by leveraging the discrete Fourier transform (DFT) and propose a customized graph network architecture based on Temporal Graph Convolutional Network (TGCN). Our model was trained on a dataset comprising 1,086 subjects, which is over 10 times larger than previous datasets in the field of depression diagnosis. Furthermore, to align with medical requirements, we performed propensity score matching (PSM) to create a refined subset, referred to as the PSM dataset. Experimental results demonstrate that incorporating our newly designed biomarker enhances the representation of temporal characteristics in brain channels, leading to improved F1 scores in both the real-world dataset and the PSM dataset. This advancement has the potential to contribute to the development of more effective depression diagnostic tools. In addition, we used SHapley Additive exPlaination (SHAP) to validate the interpretability of our model, ensuring its practical applicability in medical settings.
Building generative models for relational databases (RDBs) is important for applications like privacy-preserving data release and augmenting real datasets. However, most prior work either focuses on single-table generation or relies on autoregressive factorizations that impose a fixed table order and generate tables sequentially. This approach limits parallelism, restricts flexibility in downstream applications like missing value imputation, and compounds errors due to commonly made conditional independence assumptions. We propose a fundamentally different approach: jointly modeling all tables in an RDB without imposing any order. By using a natural graph representation of RDBs, we propose the Graph-Conditional Relational Diffusion Model (GRDM). GRDM leverages a graph neural network to jointly denoise row attributes and capture complex inter-table dependencies. Extensive experiments on six real-world RDBs demonstrate that our approach substantially outperforms autoregressive baselines in modeling multi-hop inter-table correlations and achieves state-of-the-art performance on single-table fidelity metrics.
This paper addresses the limitations of multi-node perception and delayed scheduling response in distributed systems by proposing a GNN-based multi-node collaborative perception mechanism. The system is modeled as a graph structure. Message-passing and state-update modules are introduced. A multi-layer graph neural network is constructed to enable efficient information aggregation and dynamic state inference among nodes. In addition, a perception representation method is designed by fusing local states with global features. This improves each node's ability to perceive the overall system status. The proposed method is evaluated within a customized experimental framework. A dataset featuring heterogeneous task loads and dynamic communication topologies is used. Performance is measured in terms of task completion rate, average latency, load balancing, and transmission efficiency. Experimental results show that the proposed method outperforms mainstream algorithms under various conditions, including limited bandwidth and dynamic structural changes. It demonstrates superior perception capabilities and cooperative scheduling performance. The model achieves rapid convergence and efficient responses to complex system states.
Manipulating elasto-plastic objects remains a significant challenge due to severe self-occlusion, difficulties of representation, and complicated dynamics. This work proposes a novel framework for elasto-plastic object manipulation with a quasi-static assumption for motions, leveraging 3D occupancy to represent such objects, a learned dynamics model trained with 3D occupancy, and a learning-based predictive control algorithm to address these challenges effectively. We build a novel data collection platform to collect full spatial information and propose a pipeline for generating a 3D occupancy dataset. To infer the 3D occupancy during manipulation, an occupancy prediction network is trained with multiple RGB images supervised by the generated dataset. We design a deep neural network empowered by a 3D convolution neural network (CNN) and a graph neural network (GNN) to predict the complex deformation with the inferred 3D occupancy results. A learning-based predictive control algorithm is introduced to plan the robot actions, incorporating a novel shape-based action initialization module specifically designed to improve the planner efficiency. The proposed framework in this paper can successfully shape the elasto-plastic objects into a given goal shape and has been verified in various experiments both in simulation and the real world.
In today's world, modern infrastructures are being equipped with information and communication technologies to create large IoT networks. It is essential to monitor these networks to ensure smooth operations by detecting and correcting link failures or abnormal network behaviour proactively, which can otherwise cause interruptions in business operations. This paper presents a novel method for detecting anomalies in wireless links using graph neural networks. The proposed approach involves converting time series data into graphs and training a new graph neural network architecture based on graph attention networks that successfully detects anomalies at the level of individual measurements of the time series data. The model provides competitive results compared to the state of the art while being computationally more efficient with ~171 times fewer trainable parameters.
Deep reinforcement learning (DRL) has been widely used for dynamic algorithm configuration, particularly in evolutionary computation, which benefits from the adaptive update of parameters during the algorithmic execution. However, applying DRL to algorithm configuration for multi-objective combinatorial optimization (MOCO) problems remains relatively unexplored. This paper presents a novel graph neural network (GNN) based DRL to configure multi-objective evolutionary algorithms. We model the dynamic algorithm configuration as a Markov decision process, representing the convergence of solutions in the objective space by a graph, with their embeddings learned by a GNN to enhance the state representation. Experiments on diverse MOCO challenges indicate that our method outperforms traditional and DRL-based algorithm configuration methods in terms of efficacy and adaptability. It also exhibits advantageous generalizability across objective types and problem sizes, and applicability to different evolutionary computation methods.
GraphSAGE is a widely used graph neural network. The introduction of causal inference has improved its robust performance and named as Causal GraphSAGE. However, Causal GraphSAGE focuses on measuring causal weighting among individual nodes, but neglecting the cooperative relationships among sampling nodes as a whole. To address this issue, this paper proposes Cooperative Causal GraphSAGE (CoCa-GraphSAGE), which combines cooperative game theory with Causal GraphSAGE. Initially, a cooperative causal structure model is constructed in the case of cooperation based on the graph structure. Subsequently, Cooperative Causal sampling (CoCa-sampling) algorithm is proposed, employing the Shapley values to calculate the cooperative contribution based on causal weights of the nodes sets. CoCa-sampling guides the selection of nodes with significant cooperative causal effects during the neighborhood sampling process, thus integrating the selected neighborhood features under cooperative relationships, which takes the sampled nodes as a whole and generates more stable target node embeddings. Experiments on publicly available datasets show that the proposed method has comparable classification performance to the compared methods and outperforms under perturbations, demonstrating the robustness improvement by CoCa-sampling.
Multivariate Time Series (MTS) forecasting has a wide range of applications in both industry and academia. Recent advances in Spatial-Temporal Graph Neural Network (STGNN) have achieved great progress in modelling spatial-temporal correlations. Limited by computational complexity, most STGNNs for MTS forecasting focus primarily on short-term and local spatial-temporal dependencies. Although some recent methods attempt to incorporate univariate history into modeling, they still overlook crucial long-term spatial-temporal similarities and correlations across MTS, which are essential for accurate forecasting. To fill this gap, we propose a framework called the Long-term Multivariate History Representation (LMHR) Enhanced STGNN for MTS forecasting. Specifically, a Long-term History Encoder (LHEncoder) is adopted to effectively encode the long-term history into segment-level contextual representations and reduce point-level noise. A non-parametric Hierarchical Representation Retriever (HRetriever) is designed to include the spatial information in the long-term spatial-temporal dependency modelling and pick out the most valuable representations with no additional training. A Transformer-based Aggregator (TAggregator) selectively fuses the sparsely retrieved contextual representations based on the ranking positional embedding efficiently. Experimental results demonstrate that LMHR outperforms typical STGNNs by 10.72% on the average prediction horizons and state-of-the-art methods by 4.12% on several real-world datasets. Additionally, it consistently improves prediction accuracy by 9.8% on the top 10% of rapidly changing patterns across the datasets.
The automatic analysis of document layouts in digital-born PDF documents remains a challenging problem due to the heterogeneous arrangement of textual and nontextual elements and the imprecision of the textual metadata in the Portable Document Format. In this work, we benchmark Graph Neural Network (GNN) architectures for the task of fine-grained layout classification of text blocks from digital native documents. We introduce two graph construction structures: a k-closest-neighbor graph and a fully connected graph, and generate node features via pre-trained text and vision models, thus avoiding manual feature engineering. Three experimental frameworks are evaluated: single-modality (text or visual), concatenated multimodal, and dual-branch multimodal. We evaluated four foundational GNN models and compared them with the baseline. Our experiments are specifically conducted on a rich dataset of public affairs documents that includes more than 20 sources (e.g., regional and national-level official gazettes), 37K PDF documents, with 441K pages in total. Our results demonstrate that GraphSAGE operating on the k-closest-neighbor graph in a dual-branch configuration achieves the highest per-class and overall accuracy, outperforming the baseline in some sources. These findings confirm the importance of local layout relationships and multimodal fusion exploited through GNNs for the analysis of native digital document layouts.
The task of graph-level out-of-distribution (OOD) detection is crucial for deploying graph neural networks in real-world settings. In this paper, we observe a significant difference in the relationship between the largest and second-largest eigenvalues of the Laplacian matrix for in-distribution (ID) and OOD graph samples: \textit{OOD samples often exhibit anomalous spectral gaps (the difference between the largest and second-largest eigenvalues)}. This observation motivates us to propose SpecGap, an effective post-hoc approach for OOD detection on graphs. SpecGap adjusts features by subtracting the component associated with the second-largest eigenvalue, scaled by the spectral gap, from the high-level features (i.e., $\mathbf{X}-\left(\lambda_n-\lambda_{n-1}\right) \mathbf{u}_{n-1} \mathbf{v}_{n-1}^T$). SpecGap achieves state-of-the-art performance across multiple benchmark datasets. We present extensive ablation studies and comprehensive theoretical analyses to support our empirical results. As a parameter-free post-hoc method, SpecGap can be easily integrated into existing graph neural network models without requiring any additional training or model modification.
Conventional Graph Neural Networks (GNNs) aggregate neighbor embeddings as holistic vectors, lacking the ability to identify fine-grained, direction-specific feature relevance. We propose MSH-GNN (Multi-Scale Harmonic Graph Neural Network), a novel architecture that performs feature-wise adaptive message passing through node-specific harmonic projections. For each node, MSH-GNN dynamically projects neighbor features onto frequency-sensitive directions determined by the target node's own representation. These projections are further modulated using learnable sinusoidal encodings at multiple frequencies, enabling the model to capture both smooth and oscillatory structural patterns across scales. A frequency-aware attention pooling mechanism is introduced to emphasize spectrally and structurally salient nodes during readout. Theoretically, we prove that MSH-GNN approximates shift-invariant kernels and matches the expressive power of the 1-Weisfeiler-Lehman (1-WL) test. Empirically, MSH-GNN consistently outperforms state-of-the-art models on a wide range of graph and node classification tasks. Furthermore, in challenging classification settings involving joint variations in graph topology and spectral frequency, MSH-GNN excels at capturing structural asymmetries and high-frequency modulations, enabling more accurate graph discrimination.