Attributed Graph Clustering with Multi-Scale Weight-Based Pairwise Coarsening and Contrastive Learning

This study introduces the Multi-Scale Weight-Based Pairwise Coarsening and Contrastive Learning (MPCCL) model, a novel approach for attributed graph clustering that effectively bridges critical gaps in existing methods, including long-range dependency, feature collapse, and information loss. Traditional methods often struggle to capture high-order graph features due to their reliance on low-order attribute information, while contrastive learning techniques face limitations in feature diversity by overemphasizing local neighborhood structures. Similarly, conventional graph coarsening methods, though reducing graph scale, frequently lose fine-grained structural details. MPCCL addresses these challenges through an innovative multi-scale coarsening strategy, which progressively condenses the graph while prioritizing the merging of key edges based on global node similarity to preserve essential structural information. It further introduces a one-to-many contrastive learning paradigm, integrating node embeddings with augmented graph views and cluster centroids to enhance feature diversity, while mitigating feature masking issues caused by the accumulation of high-frequency node weights during multi-scale coarsening. By incorporating a graph reconstruction loss and KL divergence into its self-supervised learning framework, MPCCL ensures cross-scale consistency of node representations. Experimental evaluations reveal that MPCCL achieves a significant improvement in clustering performance, including a remarkable 15.24% increase in NMI on the ACM dataset and notable robust gains on smaller-scale datasets such as Citeseer, Cora and DBLP.

Explainable Mapper: Charting LLM Embedding Spaces Using Perturbation-Based Explanation and Verification Agents

Large language models (LLMs) produce high-dimensional embeddings that capture rich semantic and syntactic relationships between words, sentences, and concepts. Investigating the topological structures of LLM embedding spaces via mapper graphs enables us to understand their underlying structures. Specifically, a mapper graph summarizes the topological structure of the embedding space, where each node represents a topological neighborhood (containing a cluster of embeddings), and an edge connects two nodes if their corresponding neighborhoods overlap. However, manually exploring these embedding spaces to uncover encoded linguistic properties requires considerable human effort. To address this challenge, we introduce a framework for semi-automatic annotation of these embedding properties. To organize the exploration process, we first define a taxonomy of explorable elements within a mapper graph such as nodes, edges, paths, components, and trajectories. The annotation of these elements is executed through two types of customizable LLM-based agents that employ perturbation techniques for scalable and automated analysis. These agents help to explore and explain the characteristics of mapper elements and verify the robustness of the generated explanations. We instantiate the framework within a visual analytics workspace and demonstrate its effectiveness through case studies. In particular, we replicate findings from prior research on BERT's embedding properties across various layers of its architecture and provide further observations into the linguistic properties of topological neighborhoods.

Explainable Vulnerability Detection in C/C++ Using Edge-Aware Graph Attention Networks

Detecting security vulnerabilities in source code remains challenging, particularly due to class imbalance in real-world datasets where vulnerable functions are under-represented. Existing learning-based methods often optimise for recall, leading to high false positive rates and reduced usability in development workflows. Furthermore, many approaches lack explainability, limiting their integration into security workflows. This paper presents ExplainVulD, a graph-based framework for vulnerability detection in C/C++ code. The method constructs Code Property Graphs and represents nodes using dual-channel embeddings that capture both semantic and structural information. These are processed by an edge-aware attention mechanism that incorporates edge-type embeddings to distinguish among program relations. To address class imbalance, the model is trained using class-weighted cross-entropy loss. ExplainVulD achieves a mean accuracy of 88.25 percent and an F1 score of 48.23 percent across 30 independent runs on the ReVeal dataset. These results represent relative improvements of 4.6 percent in accuracy and 16.9 percent in F1 score compared to the ReVeal model, a prior learning-based method. The framework also outperforms static analysis tools, with relative gains of 14.0 to 14.1 percent in accuracy and 132.2 to 201.2 percent in F1 score. Beyond improved detection performance, ExplainVulD produces explainable outputs by identifying the most influential code regions within each function, supporting transparency and trust in security triage.

Can LLMs Find Fraudsters? Multi-level LLM Enhanced Graph Fraud Detection

Graph fraud detection has garnered significant attention as Graph Neural Networks (GNNs) have proven effective in modeling complex relationships within multimodal data. However, existing graph fraud detection methods typically use preprocessed node embeddings and predefined graph structures to reveal fraudsters, which ignore the rich semantic cues contained in raw textual information. Although Large Language Models (LLMs) exhibit powerful capabilities in processing textual information, it remains a significant challenge to perform multimodal fusion of processed textual embeddings with graph structures. In this paper, we propose a \textbf{M}ulti-level \textbf{L}LM \textbf{E}nhanced Graph Fraud \textbf{D}etection framework called MLED. In MLED, we utilize LLMs to extract external knowledge from textual information to enhance graph fraud detection methods. To integrate LLMs with graph structure information and enhance the ability to distinguish fraudsters, we design a multi-level LLM enhanced framework including type-level enhancer and relation-level enhancer. One is to enhance the difference between the fraudsters and the benign entities, the other is to enhance the importance of the fraudsters in different relations. The experiments on four real-world datasets show that MLED achieves state-of-the-art performance in graph fraud detection as a generalized framework that can be applied to existing methods.

Graph Neural Networks Powered by Encoder Embedding for Improved Node Learning

Graph neural networks (GNNs) have emerged as a powerful framework for a wide range of node-level graph learning tasks. However, their performance is often constrained by reliance on random or minimally informed initial feature representations, which can lead to slow convergence and suboptimal solutions. In this paper, we leverage a statistically grounded method, one-hot graph encoder embedding (GEE), to generate high-quality initial node features that enhance the end-to-end training of GNNs. We refer to this integrated framework as the GEE-powered GNN (GG), and demonstrate its effectiveness through extensive simulations and real-world experiments across both unsupervised and supervised settings. In node clustering, GG consistently achieves state-of-the-art performance, ranking first across all evaluated real-world datasets, while exhibiting faster convergence compared to the standard GNN. For node classification, we further propose an enhanced variant, GG-C, which concatenates the outputs of GG and GEE and outperforms competing baselines. These results confirm the importance of principled, structure-aware feature initialization in realizing the full potential of GNNs.

Few-shot Learning on AMS Circuits and Its Application to Parasitic Capacitance Prediction

Graph representation learning is a powerful method to extract features from graph-structured data, such as analog/mixed-signal (AMS) circuits. However, training deep learning models for AMS designs is severely limited by the scarcity of integrated circuit design data. In this work, we present CircuitGPS, a few-shot learning method for parasitic effect prediction in AMS circuits. The circuit netlist is represented as a heterogeneous graph, with the coupling capacitance modeled as a link. CircuitGPS is pre-trained on link prediction and fine-tuned on edge regression. The proposed method starts with a small-hop sampling technique that converts a link or a node into a subgraph. Then, the subgraph embeddings are learned with a hybrid graph Transformer. Additionally, CircuitGPS integrates a low-cost positional encoding that summarizes the positional and structural information of the sampled subgraph. CircuitGPS improves the accuracy of coupling existence by at least 20\% and reduces the MAE of capacitance estimation by at least 0.067 compared to existing methods. Our method demonstrates strong inherent scalability, enabling direct application to diverse AMS circuit designs through zero-shot learning. Furthermore, the ablation studies provide valuable insights into graph models for representation learning.

Leveraging Manifold Embeddings for Enhanced Graph Transformer Representations and Learning

Graph transformers typically embed every node in a single Euclidean space, blurring heterogeneous topologies. We prepend a lightweight Riemannian mixture-of-experts layer that routes each node to various kinds of manifold, mixture of spherical, flat, hyperbolic - best matching its local structure. These projections provide intrinsic geometric explanations to the latent space. Inserted into a state-of-the-art ensemble graph transformer, this projector lifts accuracy by up to 3% on four node-classification benchmarks. The ensemble makes sure that both euclidean and non-euclidean features are captured. Explicit, geometry-aware projection thus sharpens predictive power while making graph representations more interpretable.

Generating Large Semi-Synthetic Graphs of Any Size

Graph generation is an important area in network science. Traditional approaches focus on replicating specific properties of real-world graphs, such as small diameters or power-law degree distributions. Recent advancements in deep learning, particularly with Graph Neural Networks, have enabled data-driven methods to learn and generate graphs without relying on predefined structural properties. Despite these advances, current models are limited by their reliance on node IDs, which restricts their ability to generate graphs larger than the input graph and ignores node attributes. To address these challenges, we propose Latent Graph Sampling Generation (LGSG), a novel framework that leverages diffusion models and node embeddings to generate graphs of varying sizes without retraining. The framework eliminates the dependency on node IDs and captures the distribution of node embeddings and subgraph structures, enabling scalable and flexible graph generation. Experimental results show that LGSG performs on par with baseline models for standard metrics while outperforming them in overlooked ones, such as the tendency of nodes to form clusters. Additionally, it maintains consistent structural characteristics across graphs of different sizes, demonstrating robustness and scalability.

NaviAgent: Bilevel Planning on Tool Dependency Graphs for Function Calling

LLMs' reliance on static knowledge and fragile tool invocation severely hinders the orchestration of complex, heterogeneous toolchains, particularly at large scales. Existing methods typically use rigid single-path execution, resulting in poor error recovery and exponentially growing search spaces. We introduce NaviAgent, a graph-navigated bilevel planning architecture for robust function calling, comprising a Multi-Path Decider and Graph-Encoded Navigator. As an LLM-powered agent, the Multi-Path Decider defines a four-dimensional decision space and continuously perceives environmental states, dynamically selecting the optimal action to fully cover all tool invocation scenarios. The Graph-Encoded Navigator constructs a Tool Dependency Heterogeneous Graph (TDHG), where node embeddings explicitly fuse API schema structure with historical invocation behavior. It also integrates a novel heuristic search strategy that guides the Decider toward efficient and highly successful toolchains, even for unseen tool combinations. Experiments show that NaviAgent consistently achieves the highest task success rate (TSR) across all foundation models and task complexities, outperforming the average baselines (ReAct, ToolLLM, {\alpha}-UMI) by 13.5%, 16.4%, and 19.0% on Qwen2.5-14B, Qwen2.5-32B, and Deepseek-V3, respectively. Its execution steps are typically within one step of the most efficient baseline, ensuring a strong balance between quality and efficiency. Notably, a fine-tuned Qwen2.5-14B model achieves a TSR of 49.5%, surpassing the much larger 32B model (44.9%) under our architecture. Incorporating the Graph-Encoded Navigator further boosts TSR by an average of 2.4 points, with gains up over 9 points on complex tasks for larger models (Deepseek-V3 and GPT-4o), highlighting its essential role in toolchain orchestration.

WebGuard++:Interpretable Malicious URL Detection via Bidirectional Fusion of HTML Subgraphs and Multi-Scale Convolutional BERT

URL+HTML feature fusion shows promise for robust malicious URL detection, since attacker artifacts persist in DOM structures. However, prior work suffers from four critical shortcomings: (1) incomplete URL modeling, failing to jointly capture lexical patterns and semantic context; (2) HTML graph sparsity, where threat-indicative nodes (e.g., obfuscated scripts) are isolated amid benign content, causing signal dilution during graph aggregation; (3) unidirectional analysis, ignoring URL-HTML feature bidirectional interaction; and (4) opaque decisions, lacking attribution to malicious DOM components. To address these challenges, we present WebGuard++, a detection framework with 4 novel components: 1) Cross-scale URL Encoder: Hierarchically learns local-to-global and coarse to fine URL features based on Transformer network with dynamic convolution. 2) Subgraph-aware HTML Encoder: Decomposes DOM graphs into interpretable substructures, amplifying sparse threat signals via Hierarchical feature fusion. 3) Bidirectional Coupling Module: Aligns URL and HTML embeddings through cross-modal contrastive learning, optimizing inter-modal consistency and intra-modal specificity. 4) Voting Module: Localizes malicious regions through consensus voting on malicious subgraph predictions. Experiments show WebGuard++ achieves significant improvements over state-of-the-art baselines, achieving 1.1x-7.9x higher TPR at fixed FPR of 0.001 and 0.0001 across both datasets.