As integrated circuit technology scales into the nanometer regime, the traditional disconnect between logic synthesis and physical design has led to significant PPA (Power, Performance, and Area) degradation and prolonged design closure cycles. Traditional logic synthesis relies on non-physical Wire Load Models (WLMs), while recent spectral-based placement predictors often neglect the inherent hierarchical logic depth and signal flow of netlists, which leads to low-fidelity spatial estimations. To bridge this gap, we propose LevelSyn, a novel physical-aware logic synthesis framework that integrates hierarchical representation learning with a wirelength-driven optimization engine. At its core, LevelSyn leverages a level-asynchronous Graph Neural Network (GNN) to predict high-fidelity gate coordinates by capturing the structural and directional semantics of And-Inverter Graphs (AIGs). To handle industrial-scale designs, a level-aligned subgraph partitioning strategy is introduced to eliminate memory bottlenecks while preserving local logical dependencies. These spatial insights are seamlessly integrated into a newly developed physical-informed synthesis engine within the Berkeley ABC framework. Experimental results on the EPFL benchmark suite demonstrate that LevelSyn significantly outperforms state-of-the-art (SOTA) methods, achieving an average power reduction of 6.89\% and a timing delay improvement of 27.48\%. Furthermore, post-place-and-route validation shows a 99.59\% reduction in design rule check (DRC) violations, highlighting its effectiveness in accelerating design convergence.
With the rapid development of the Internet of Things, computation intensive directed acyclic graph (DAG) tasks have become increasingly common in cloud-edge-end collaborative environments. However, cloud, edge, and end nodes are highly heterogeneous in computing capacity, network bandwidth, and energy consumption, which makes the efficient scheduling of tasks with complex dependencies an NP-hard problem. Traditional heuristic algorithms and conventional reinforcement-learning methods often fail to capture the spatio-temporal dynamics of system resources. This paper proposes PPO-STGNN, a DAG task-scheduling algorithm that integrates proximal policy optimization (PPO) with spatio-temporal graph neural networks (STGNNs). The method uses an STGNN to extract features from both the DAG task topology and the physical cloud-edge-end resource graph, and then optimizes the scheduling policy through PPO to minimize makespan and schedule length ratio (SLR) while improving CPU and memory load balancing. To accelerate convergence, a multi-teacher behavior-cloning mechanism is introduced for pretraining. Experimental results show that PPO-STGNN significantly improves load balancing while maintaining a low completion time, making it suitable for dynamic and heterogeneous cloud-edge- end DAG scheduling scenarios.
The conventional approach to machine learning, that is, collecting data, training models, and performing inference in a single location, faces fundamental limitations, including scalability and privacy, that restrict its applicability. To address these challenges, recent research has explored collaborative learning approaches, including federated learning and decentralized learning, where individual agents perform training and inference locally, with limited collaboration. Most collaborative learning research focuses on Euclidean data with regular, grid-like structure (e.g., images, text). However, these approaches fail to capture the relational patterns in many real-world applications, best represented by graphs. Learning on graphs relies on message-passing mechanisms to propagate information between connected nodes, making it conceptually well-suited for collaborative environments where agents must exchange information. Yet, the opportunities and challenges of learning on graph-structured data in collaborative settings remain largely underexplored. This survey provides a comprehensive investigation of collaborative learning from Euclidean to graph-structured data, aiming to consolidate this emerging field. We begin by reviewing its foundational principles for Euclidean data, organizing them along three core dimensions: learning effectiveness, efficiency, and privacy preservation. We then extend the discussion to graph-structured data, introducing a taxonomy of graph distribution scenarios, characterizing associated statistical heterogeneities, and developing standardized problem formulations and algorithmic frameworks. Finally, we systematically identify open challenges and promising research directions.
Jinxi Yu, Eric Hanchen Jiang, Levina Li +6cs.CR cs.AI cs.LG cs.MA
Topology-guided safeguards for LLM-based multi-agent systems (MAS) train a GNN over the inter-agent communication graph to localize risky agents and intervene on the topology---but they assume one operator can pool all labeled traces. Across organizations that assumption breaks: episodes contain private prompts, tool outputs, and proprietary workflows, and no silo alone sees the full attack distribution. We cast privacy-preserving MAS safeguarding as graph federated learning and instantiate FGLGuard: each operator fits an edge-featured graph attention detector on its own judge-labeled episode graphs and shares only model updates. The method couples a proximal local objective for non-IID clients, domain-balanced aggregation, over-refusal-constrained threshold calibration, corroborated upstream scoring, and a guarded rewrite for blocked answers. Federation is not optional: off-the-shelf transfer collapses under distribution shift (AUROC 0.51 to 0.70 only after in-domain retraining), so a deployable guard must adapt on each site's private traces. On Agent-SafetyBench, R-Judge, and AgentDojo, federated FGLGuard exceeds the in-domain centralized ceiling on all three benchmarks without pooling any data---where unsupervised anomaly guards and local-only training fail. One guard federated across four different-domain operators comes within 0.03 AUROC of multi-domain centralization, while any single-domain guard collapses on the others. Live FGLGuard cuts AgentDojo's ground-truth attack-success rate by 43% at near-unguarded utility, zero API cost, and negligible capability loss.
Graph neural networks (GNN) based on message passing are provably no more powerful than the one-dimensional Weisfeiler--Leman colour-refinement test (1-WL): two graphs it cannot tell apart receive identical representations, however deep or wide the network. A common remedy augments node or edge features with precomputed structural descriptors, most often counts of a fixed small subgraph such as triangles or longer cycles, but such counts require committing in advance to the size of the substructure counted, a choice usually made blind to the data. We study a descriptor that avoids this choice. The edge-girth of an edge is the length of a shortest cycle through it, and its multiplicity is the number of such shortest cycles; together they form a per-edge invariant that reports cycles of arbitrary length, computable exactly by a single breadth-first search per edge. Injected into a gated message-passing architecture, EGAGNN, it reaches a test MAE a factor three below the closest gated comparator on the ZINC-12k regression benchmark at 104k parameters; against bounded cycle-counting descriptors under the same architecture, it matches only a dictionary counting cycles up to length eight, using twice as many channels, while a dictionary capped at length four performs no better than no structural information at all. On graph discrimination we prove a matching limitation: on graphs where every edge sees the same number of shortest cycles of the same length, the descriptor becomes constant and any model built on it collapses back to the 1-WL bound. This holds without exception across all 400 pairs of the BREC benchmark: not one of the 90 such pairs is distinguished.
Dain Kwon, Kanghyun Choi, Hyeyoon Lee +4cs.LG cs.AI
Existing GNN quantization methods suffer from considerable quantization overhead, which severely limits their practical usage in real-world scenarios. To this end, we present TopGQ, an accurate post-training GNN quantization framework, alleviating redundant quantization overhead. We propose dual-axis scale absorption, which enables activation quantization along both the outer and inner dimensions by merging one into the adjacency matrix. On top of that, we introduce TopPIN, a proxy for nodes' local structure, and use it to group nodes with similar topology during quantization. Experimental results show that TopGQ reduces quantization time by an order of magnitude while preserving accuracy.
Graph positional encodings are widely used in graph neural networks and graph Transformers, yet it remains unclear when the code itself can identify nodes. We study a hybrid distance-spectral encoding that combines anchor-distance profiles with quantized low-frequency Laplacian-energy coordinates. Treating the encoding as an observation map yields a simplex-refined converse, an exact collision factorization \(κ_H=κ_Dκ_{S|D}\), and the collision information \(I_H=-\logκ_D-\logκ_{S|D}\). On random regular graphs, the criterion is made explicit through a bounded-correlation Gaussian-wave surrogate; for actual Laplacian-energy coordinates, we give the distance-conditioned spectral collision condition sufficient for conditional actual-coordinate achievability. Experiments show that \(I_H/\log n\) calibrates localization success, and PE-only structural task probes on Universal Dependencies trees show that hybrid encodings better recover syntactic-tree geometry than distance-only or spectral-only baselines.
Value signals are aggregated user-level moral representations that capture users' inferred value-related tendencies from their online discourse. User behavior on social media is shaped not only by what users say or whom they interact with, but also by the value signal through which they express attitudes. Existing user representation methods largely miss this value-relevant dimension. We propose ValueGraph, a graph pre-training framework that uses automatically inferred moral-value signals as noisy auxiliary signals for contextualized user representation. From post-reply graphs, ValueGraph learns semantic and structural representations and further aligns users through relative value similarity with contrastive and clustering objectives. Rather than treating inferred values as gold psychological labels, ValueGraph uses them as soft constraints for representation learning. Experiments on stance detection and twitter bot detection show consistent gains over strong text-based, graph-based, and text-only LLM baselines, highlighting value-signal guidance as a useful inductive bias for socially informed user modeling.
Alessio Borgi, Mario Severino, Fabrizio Silvestri +1cs.LG cs.AI
Equivariant graph neural networks provide a principled way to model geometric systems, but efficient first-order architectures remain limited in how vector information can be transformed as it moves across a graph. We introduce \textsc{ESNN}, an Equivariant Sheaf Neural Network that enriches this interaction by learning directed, matrix-valued transport between neighboring vector features while preserving exact Euclidean equivariance. Rather than increasing the order of the representation, ESNN keeps scalar and vector features first-order and places the additional geometric flexibility in the edge transport itself. We characterize this transport theoretically, showing that when relative displacement is the only covariant geometric input, every linear $O(n)$-equivariant map decomposes into independent radial and tangential components, while learned covariant features enable richer feature-conditioned transformations. We also introduce controlled symmetry relaxation for systems with a preferred ambient direction, which may be prescribed or inferred from data while recovering full $E(n)$-equivariance when the directional pathway is inactive. Across particle dynamics, mesh-based simulation, point-cloud classification, and molecular property prediction, ESNN improves dynamics prediction, recovers the gravity axis when symmetry is broken, yields substantial gains on selected mesh tasks and long-horizon rollouts, and remains robust to unseen rotations. These results show that learning how geometric information is transported across edges offers a complementary route to expressive equivariant message passing without requiring higher-order representations.
Test-time adaptation (TTA) on graphs aims to adapt a graph neural network (GNN) that is well-trained on the training graph to the test graph, which involves potential distribution shifts that may harm model generalization and test-time inference. While recent efforts have investigated TTA on static graphs, there is still a research gap on dynamic graphs learned with dynamic GNN (DGNN) models, where both structural connectivity and node semantics evolve continuously over time. This makes adapting a DGNN model for reliable test-time performance substantially challenging. To fill this gap, in this work, we propose a novel framework of temporal memory-aware Online Test-Time Adaptation on Dynamic Graphs, named DGOTTA, to effectively adapt well-trained DGNNs during test time. Specifically, the proposed DGOTTA contains three modules: (1) temporal-aware augmentation, to extend the diversity of test dynamic graphs for addressing complex temporal and spatial shifts; (2) memory-aware model prediction, to alleviate catastrophic forgetting; (3) consistency-guided online adaptation, to enforce temporal alignment and memory smoothness. Extensive experiments on three real-world datasets and four DGNN backbones demonstrate that DGOTTA significantly improves generalization under diverse distribution shifts and multiple model architectures.
Multi-label graph learning intends to capture the intrinsic complexity of real-world applications, where one sample is often related to multiple groups or consists of multiple objects. To date, a handful of multi-label graph learning methods exist, but none of them integrate training-time interpretation capability. While post-hoc graph explainers have been developed, they do not explicitly model label-dependent evidence sharing in multi-label graph learners, especially when label pairs are weakly or negatively associated. As a result, post-hoc approaches may miss how evidence should be shared or separated across different labels. This paper advances a new end-to-end self-explainable multi-label graph neural network (SEMGNN), which aims to simultaneously classify multi-labeled nodes and identify edges significantly contributing to each target node w.r.t. predicted labels. Different from post-hoc methods, SEMGNN jointly learns a predictor and a sparse edge-mask explainer within a unified framework and training objective. Label-label correlations are used to improve multi-label node classification and enhance individual label explanations, so that different labels of a node can be supported by distinct yet coherent structural and/or correlated evidence. Experiments and comparisons on synthetic and real-world multi-label networks, in social networking, entertainment, and life sciences, show that SEMGNN achieves competitive or improved predictive performance while providing more faithful and compact label-conditioned explanations.
Maksim Utushkin, Andrei Ovsiannikov, Alexander D'yakonovcs.IR cs.LG cs.SI
Friend recommendation is inherently graph-structured: the relevance of a potential connection depends on multi-hop social context rather than user attributes alone. However, deploying message-passing GNNs on a production-scale social graph with hundreds of millions of users and tens of billions of edges requires addressing numerous modeling and systems challenges. We present a scalable end-to-end GNN ranking system for production social graphs, focusing on two design choices that are critical in this setting: multi-hash ID embeddings and temporal neighbor sampling. Multi-hash embeddings are common for high-cardinality features, but industrial GNN systems typically either ignore trainable IDs or accept full embedding tables, exceeding 200 GB for our graph. We integrate multi-hash as the primary node representation, reducing the ID-embedding table size by more than 98 percent while preserving ranking quality. Temporal neighbor sampling is well understood in principle, but existing implementations scan full adjacency lists, which is a non-starter for users with tens of thousands of friends. We implement timestamp-sorted CSR storage with binary search, reducing the per-node temporal sampling cost from $O(deg(v) + k)$ to $O(\log(deg(v)) + k)$. Beyond these components, we show that this combination scales and yields measurable production impact. On a graph with 194M users and 28B edges, offline ablations isolate each design choice's contribution. In an online A/B test, our system increases friend additions from recommendations by 16 percent and unique friend adders by 11.5 percent over a strong production baseline. We release our framework for distributed training and inference on large temporal graphs.
12-lead electrocardiogram (ECG) is a standard, non-invasive examination widely used for diagnosing coronary artery disease, where clinical interpretation relies on comparing waveform patterns across multiple leads. However, most existing ECG analysis methods focus on single-lead signals or treat each lead independently, and typically process ECG signals as one-dimensional time-series data using CNNs or RNNs. While effective in modeling local waveform changes, such approaches have difficulty capturing inter-lead dependency and global waveform patterns essential for clinical diagnosis. To address this limitation, we propose a graph-based pseudo-multimodal contrastive learning framework called Graph-CMMC. ECG waveforms are transformed into Gramian Angular Difference Field (GADF) images to construct complementary representations of the same cardiac activity, enabling a pseudo-multimodal learning setting. Using all 12 leads, Graph-CMMC aligns waveform and GADF representations in a self-supervised manner, while a graph-based relational module is employed to model inter-lead dependency and enforce structural consistency across leads during contrastive learning. Experimental results on a multi-label coronary artery occlusion classification task demonstrate that the proposed framework achieves competitive performance compared to supervised learning methods. These results further suggest the effectiveness of using GADF as a complementary representation and incorporating explicit graph-based modeling of inter-lead dependency for learning robust 12-lead ECG representations.
Graph neural networks (GNNs) are typically conceptualized as message-passing neural networks, yet it remains unclear why neighborhood aggregation reliably outperforms node-wise multilayer perceptrons (MLPs). Despite its empirical success, this paradigm can be computationally expensive and sensitive to imperfect graph structures. In this work, we present a retrieval-augmented view of GNNs: each layer makes predictions by applying an MLP to a node representation together with a permutation-invariant summary of retrieved graph context. Motivated by this perspective, we propose RTA, a simple MLP-based framework that replaces structural message passing with label-aware retrieval and propagation. We provide theoretical insights that (i) connect retrieval-based aggregation to softmax-attention message passing, and (ii) establish the robustness of retrieved-context supervision to mis-retrieved outliers. Experiments on multiple text-attributed graph benchmarks show that RTA matches or even outperforms strong GNN and graph LLM baselines while improving efficiency and robustness across diverse scenarios.
Detecting AI-generated text (AIGT) remains challenging because existing approaches rely on token-level statistical signals or independent stylometric features, causing them to overfit to specific generators and fail under distribution shift. We identify a structural signal at the sentence-pair level: LLMs produce inter-sentence transition variance that deviates from human writing through inflated variance driven by recurring similarity bursts at paragraph boundaries and templated transitions. We formalize this as Relational Over-Regularization (ROR) and validate it across four benchmarks (p < 0.001). The central contribution is this relational problem formulation, not a novel GNN architecture; CSFG is one concrete instantiation for operationalizing ROR. To exploit this signal, we propose the Cross-Source Stylometric Fingerprint Graph (CSFG), a graph-based framework that encodes positional, sequential, semantic, and transition deviation signals as learnable GNN edge features. The per-edge signed deviation δ_ij operationalizes ROR without hand-crafted thresholds and acts as a false-positive calibrator. CSFG achieves 97.14% accuracy under binary detection, outperforming the strongest graph-based baseline by 11.14 pp, with a false-positive rate of 1.57% and robust generalization to unseen LLMs in the inflated-variance regime; detection degrades for generators whose transition variance falls at or below the human baseline.
Graph neural networks (GNNs) can exhibit unfair behavior even when sensitive attributes are excluded from node features, because graph topology and message passing propagate group-correlated signals under sensitive homophily. Existing fairness-aware GNN methods mainly constrain representations or prediction distributions at a global level, without explicitly controlling the local structural pathways through which biased information propagates during aggregation. We propose Subgraph Filtering for Fair Graph Neural Networks (SF-GNN), a lightweight and architecture-agnostic framework that mitigates structural bias at its source. SF-GNN identifies bias-prone edges by combining sensitive homophily with structural propagation amplifiers, including hub participation and triadic closure. It then incorporates stochastic edge filtering into each message-passing step to selectively downweight or remove these edges while preserving the remaining graph structure. Training further incorporates a statistical-parity regularizer with a warm-up schedule to stabilize optimization. Experiments on five benchmark datasets show that SF-GNN achieves consistent fairness improvements while maintaining competitive predictive performance, leading to a better fairness--accuracy trade-off than recent fairness-aware GNN baselines.
Relational Deep Learning (RDL) is an effective approach to machine learning over multi-table relational databases. In RDL, a database is modeled as a graph in which each row is a node and each foreign-key relation is an edge, and a graph neural network (GNN) is trained on this graph. Training a GNN requires sampling a subgraph around every seed node in the training set, and the cost of training is largely determined by the size of these subgraphs. This paper aims to reduce subgraph size by leveraging the join and aggregation capabilities of relational database systems. We observe that sampled subgraphs are obtained by following metapaths composed of foreign-key links, and that many of these metapaths can be pruned without loss of accuracy. We present MetaSieve, a metapath selection layer that determines which metapaths to retain and which to prune. For each candidate metapath extension, MetaSieve computes statistics via SQL join and aggregation queries and evaluates the extension based on a novel scoring function that prefers lightweight but informative candidates. Metapaths whose scores fall below a threshold are deemed uninformative and pruned. Metapath selection in MetaSieve is lightweight since it relies only on database statistics and task labels, and it is independent of GNN parameters, so it integrates with diverse GNN architectures for classification and regression. Our evaluation on the RelBench benchmark with multiple GNN backbones shows that MetaSieve consistently reduces per-epoch training time by large margins while maintaining and often improving accuracy.
Graph neural networks (GNNs) are widely used to represent complex interactions and relationships among entities. We investigate a multimodal model that combines two complementary ideas: a self-supervised method that enables a GNN encoder pretrained on one dataset to operate directly on another dataset with a different node-feature dimensionality, without rebuilding the model or realigning the data; and an alternating optimization method that updates a language-model module in an E-step and a GNN module in an M-step, rather than jointly training a large language model and a GNN end to end on a large graph. Despite expectations, the combined model did not sufficiently improve predictive performance. We identify six factors: (1) an external anchor in the E-step has a strength-safety trade-off: a weak anchor has little effect, whereas an overly strong anchor can damage the graph representation; (2) the knowledge of the E-step teacher is not injected directly into the GCN embedding Z; (3) the representation space constructed in the M-step is not optimized for the same objective as the E-step teacher space, resulting in a compromise representation for target classification; (4) GCN propagation averages a node's own textual information with information from its neighbors; (5) cosine alignment does not guarantee axes that are discriminative for classification, so stronger geometric alignment with the E-step text anchor need not sufficiently improve the target decision boundary or classification performance; and (6) the force that preserves the source-side self-supervised geometry in the M-step conflicts with the force that moves the representation toward the E-step teacher. We support these observations through a staged set of experiments that varies the influence of the E-step.
Large language models (LLMs) have recently advanced graph neural networks (GNNs) by enriching node representations with semantic information, giving rise to LLM-enhanced GNNs that achieve substantial performance gains. However, their vulnerability to privacy attacks, in which adversaries infer sensitive information from model outputs, remains largely underexplored. To bridge this gap, we present a systematic evaluation of privacy risks in LLM-enhanced GNNs through a unified framework consisting of five stages: (1) dataset preparation, (2) victim model training, (3) privacy attack, (4) risk assessment, and (5) defense analysis. Specifically, we conduct experiments on six real-world text-attributed graph datasets covering diverse domains. We consider six representative privacy attack methods targeting three fundamental threats, namely link, label, and membership inference, and construct 42 victim model configurations by combining multiple LLM-based feature enhancers with representative GNN backbones. Extensive experiments show that, despite their utility improvements, LLM-enhanced GNNs consistently exhibit increased vulnerability to privacy attacks compared to shallow text representation baselines. Further analysis reveals that semantic enrichment amplifies link-, label-, and membership-related signals in the embedding space, making them more exploitable by inference attacks. Finally, we evaluate differential privacy as a defense strategy and show that, while it can partially mitigate privacy risks, it introduces significant utility degradation, highlighting a fundamental privacy-utility trade-off in LLM-enhanced graph learning. Overall, this work provides a comprehensive understanding of privacy risks in LLM-enhanced GNNs and offers practical insights for developing more secure and trustworthy graph learning systems.
Recently, the rapid advancement of multimodal domains has driven a data-centric paradigm shift in graph ML, transitioning from text-attributed to multimodal-attributed graphs. This advancement significantly enhances data representation and expands the scope of graph downstream tasks, such as modality-oriented tasks, thereby improving the practical utility of graph ML. Despite its promise, limitations exist in the current neural paradigms:(1) Neglect Context in Modality Alignment: Most existing methods adopt topology-constrained or modality-specific operators as tokenizers.These aligners inevitably neglect graph context and inhibit modality interaction, resulting in suboptimal alignment.(2) Lack of Adaptation in Modality Fusion: Most existing methods are simple adaptations for 2-modality graphs and fail to adequately exploit aligned tokens equipped with topology priors during fusion, leading to poor generalizability and performance degradation.To address the above issues, we propose LION (c\underline{LI}ff\underline{O}rd \underline{N}eural paradigm) based on the Clifford algebra and decoupled graph neural paradigm (i.e., propagation-then-aggregation) to implement alignment-then-fusion in multimodal-attributed graphs. Specifically, we first construct a modality-aware geometric manifold grounded in Clifford algebra.This geometric-induced high-order graph propagation efficiently achieves modality interaction, facilitating modality alignment.Then, based on the topology-aware Clifford components of aligned tokens, we propose adaptive holographic aggregation. This module integrates component-wise energy and propagation-scale information with learnable parameters to improve modality fusion. Extensive experiments on 9 text-image MAG datasets demonstrate that LION significantly outperforms SOTA baselines across 3 graph and 3 modality downstream tasks.
Real-world decision-making in public health and social science can greatly benefit from predictive models, yet translating predictions into effective interventions requires explaining the model behavior. While Graph Neural Networks (GNNs) are well-suited for modeling relational data, existing explanation methods largely operate at the node level and fall short of supporting actionable, network-level intervention design. Existing counterfactual GNN explainers, such as CF-GNNExplainer and CF$^2$, rely on continuous mask optimization over features and edges, which implicitly assume feasible edge manipulation, may allocate effort to immutable or non-actionable attributes, and incur substantial computational overhead. Further, the method of arriving at the explanation itself is difficult to explain to a domain specialist who is not an AI expert. Can simple methods generate good explanations? To explore this, we reframe counterfactual explanation as an intervention design problem. At the local level, we generate counterfactuals via a greedy search that directly identifies minimal, actionable changes to node features and neighbor-level conditions. We derive conditions under which the greedy search provides guarantees, and empirically show that these conditions are approximately met. These counterfactuals are converted into interpretable rules suitable for real-world intervention. At the network level, we formulate intervention selection as a Disjunctive Normal Form (DNF) coverage problem under a budget constraint, which is nondecreasing and approximately submodular, enabling a greedy algorithm with theoretical guarantees. Experiments on synthetic graphs and real-world suicide risk networks demonstrate that our approach produces scalable, cost-effective intervention strategies with significantly improved efficiency over mask-based counterfactual methods.
Noah Dahle, Anne Tumlin, Ngoc Tran +2cs.LG cs.CR cs.DB
Anomaly detection is often applied to data stored in relational databases, yet most existing methods require flattening multiple tables into a single feature matrix. This flattening can obscure entity identity, schema structure, and multi-hop dependencies, limiting the detection of anomalies that depend on relational context rather than isolated feature values. Beyond preserving relational structure, relational anomaly detection raises an additional challenge: how to incorporate symbolic behavioral evidence into learned relational representations. To address these challenges, we study relational anomaly detection, where the goal is to identify anomalous entities or events in a multi-table database. We propose RAD, a rule-augmented relational anomaly detector that combines heterogeneous graph representation learning with refined symbolic rule signals. RAD derives candidate rules from random-forest paths over flattened summaries of the entities or events being scored, refines them into compact interpretable predicates, injects the resulting rule features into the graph model, and learns anomaly scores using reconstruction-based and pairwise-ranking supervision. To evaluate this setting, we introduce a relational anomaly detection benchmark spanning three settings: LANL cybersecurity event detection and two unexpected user-churn anomaly tasks derived from Amazon and H&M relational databases. Experiments show that RAD improves anomaly ranking over flattened tabular detectors and relational baselines under natural class imbalance, achieving the best average rank on AUROC and AUPRC across the benchmark. Ablations show that direct rule injection and ranking-based supervision are key contributors to performance, while edge reconstruction is not uniformly beneficial. Our code and data are available at: https://github.com/noahd15/RAD_RelationalAnomalyDetection.
Generative adversarial networks (GANs) have garnered considerable attention in molecular discovery for their ability to generate novel and high-quality molecules. To efficiently train a GAN model while preserving data privacy, GraphGANFed has been proposed to incorporate federated learning and graph convolutional networks into GAN. Yet, GraphGANFed cannot produce synthetic molecules that only optimize a user-defined metric(s) to facilitate the new drug discovery process. To address this issue, we introduce a novel extension to GraphGANFed, namely conditional GraphGANFed (cGraphGANFed), by incorporating the critic network to assess generated molecules using user-defined metric(s). The evaluation results from both the critic network and discriminator are integrated into the loss function of the generator, guiding it to generate novel molecules that maintain similar chemical properties to real ones while optimizing user-defined metrics. Extensive simulations are conducted in two scenarios. First, cGraphGANFed endeavors to optimize all seven commonly used metrics, and the results show that cGraphGANFed significantly outperforms GraphGANFed in Validity and LogP, with a slight advantage in QED, across different settings. Second, cGraphGANFed focuses solely on optimizing QED, and the results show that the synthetic molecules produced by cGraphGANFed can achieve more than 10% improvement in QED than GraphGANFed. Also, the results demonstrate cGraphGANFed has enhanced resilience against mode collapses and performance reduction caused by non-IID data.
Seunghan Lee, Hyunsik Yoo, Jian Kang +2cs.AI cs.LG
Multi-behavior recommendation (MBR) leverages auxiliary behavioral signals, such as clicks and add-to-cart, to enhance target behavior prediction like purchases. While recent graph neural network-based approaches have achieved strong performance by systematically propagating auxiliary behavior signals, they still suffer from two fundamental challenges inherent to auxiliary behaviors: (1) missing auxiliary signals, which hinder generalization to items without auxiliary observations, and (2) unreliable auxiliary signals, which amplify noise misaligned with the target behavior. To address these challenges in a unified manner, we propose BOAR, an environment-conditioned MBR framework that addresses missing and unreliable auxiliary signals through two complementary modules conditioned on auxiliary observability. Extensive experiments demonstrate that BOAR consistently outperforms state-of-the-art baselines, achieving up to 7.82% gains in HR@10 overall and up to 44.2% gains for target items without auxiliary observations, highlighting its ability to capture hidden preferences beyond observed auxiliary relations. Our code is available at: https://github.com/LSH0411/BOAR.
State-of-the-art temporal-link-prediction (TLP) models are, in essence, multi-channel information aggregators: they combine an interaction-history channel, a time-encoding channel, and a structure channel. The first two have been refined relentlessly; the structure channel remains a crude afterthought -- DyGFormer encodes it as a 1--2-bit neighbour-cooccurrence count. We begin with a measurement: on sparse temporal graphs the classical 1-hop common-neighbour signal is near-random (discriminative AUC $\approx 0.50$), because two nodes almost never share a direct neighbour; the genuinely discriminative signal lies one hop deeper -- the 2-hop cohesive bridge, whose discAUC reaches 0.73--0.98, on both bipartite and non-bipartite graphs. Motivated by this, we propose HAWKEYE, a cohesion-aware structural channel that incrementally maintains the classical k-family of cohesiveness indicators (degree $\to$ k-core $\to$ k-truss) and forms 2-hop cohesive-bridge features. HAWKEYE is a drop-in replacement for a temporal-graph model's native structure channel, with no change to the backbone. Swapping HAWKEYE into DyGFormer improves test AP/MRR over the cooccurrence channel by +0.6 to +10.8 points across six multi-seed-validated datasets (uci, enron, USLegis, CanParl, reddit, mooc). On the bipartite recommendation benchmark tgbl-subreddit, a 3-seed single-pass struct-only ablation shows HAWKEYE nearly doubling the baseline test MRR (0.103$\pm$0.003 $\to$ 0.204$\pm$0.005, +10.1 points across all three seeds); the streaming pipeline scales to the 67M-edge tgbl-flight in five minutes per pass. We further characterise when it helps: the gain tracks a graph's training-free 2-hop discAUC and vanishes on degenerate or saturated graphs -- a predictable boundary. All code, data, and figure-generation scripts are released.
Laurynas Varnas, Julien Herrmann, Alexander Heinlein +2math.NA cs.LG
Graph neural networks (GNNs) have emerged as a powerful framework for learning from graph-structured data. However, their efficient training remains challenging, particularly in distributed computing environments. This challenge arises from the use of message passing, which couples all graph nodes, leading to expensive optimization steps, high memory requirements, and substantial communication overhead. To alleviate these limitations, we propose a novel domain-decomposition (DD) variant of AG2m, an AdaGrad method enhanced with second-order curvature information and momentum, denoted by DD-AG2m. The proposed DD-AG2m alternates between AG2m optimization on the original (global) graph and AG2m optimization on the partitioned graphs. To incorporate global information at reduced cost, we further introduce a two-level variant (2DD-AG2m) that performs global optimization steps on a coarse graph obtained by randomly subsampling nodes within each subdomain. Numerical experiments spanning graph classification, node-level regression, and spatiotemporal forecasting tasks demonstrate that the proposed DD methods reduce the computational cost required to achieve the same predictive performance by a factor of 4-8. Moreover, for the fixed computational cost, they improve the predictive performance of GNNs by up to 22% compared with the baseline AG2m.
Regulation (EU) 2024/886 obliges European payment service providers to settle euro credit transfers in under ten seconds, around the clock. This removes both the overnight batch window in which anti-money-laundering (AML) analytics traditionally ran and the settlement delay that made recovery possible, forcing detection, explanation and decision inside a single-digit-second envelope. We present KONTOGRAPH, an end-to-end AML pipeline for the SEPA Instant rail built under a self-imposed 200 ms 99th-percentile budget, and report an empirical study on 1,562,860 simulated payments with injected typologies and deliberately incomplete labels. Three findings are of interest beyond the system itself. First, a temporal graph network with per-node memory improves PR-AUC over a gradient-boosted tabular baseline from 0.0053 to 0.1717, a paired day-blocked bootstrap difference of +0.166 with 95% CI [0.105, 0.241]; per-node memory alone more than doubles the score. Second, expressing each feature once and compiling it to three execution backends, with equivalence enforced by property-based tests that perturb the future, surfaced three point-in-time violations that code review had passed--each of which would have inflated reported performance. Third, and most consequential for practice, exporting the deployed tree ensemble to ONNX changed only $7.4 \times 10^{-8}$ in mean score yet altered 0.26% of decisions and inflated the alert volume by 12%, because 32-bit accumulation perturbs scores across a cost-optimal threshold of $3.98 \times 10^{-4}$. We argue that a serving-format conversion must be treated as a model change until measured, and that fidelity metrics for subgraph explainers can be vacuous when candidate neighbourhoods are small--a null result we report in full.
Patent litigation imposes substantial costs on firms and distorts R&D incentives, making early risk identification a practically important task. While prior work has applied BERT-based models to patent claim text, two fundamental limitations remain: flat sequence encoding loses the dependency structure between independent and dependent claims that legally determines patent scope, and feeding the entire claim set to a single encoder discards legally critical text. A six-model ablation on 1.34 million USPTO utility patents confirms that per-claim encoding, graph connectivity, attention, and Attentional Aggregation each provide independent, additive predictive value. We propose ClaimGAT, a Graph Attention Network that encodes each claim independently, constructs a directed claim dependency graph, processes it with GATConv layers, and aggregates independent claims via Attentional Aggregation to yield both a litigation risk score and claim-level gate weights that enable post-hoc structural analysis. ClaimGAT achieves an AUC-ROC of 0.818 and a lift of 4.89x at the top 10%, using only information observable at the time of patent grant. It reveals a tendency in high-risk patents for structural selection and content sensitivity to diverge, a pattern consistent with defensive claim drafting.
Causal discovery on topological event sequences is crucial for ensuring the reliability of networks. However, existing methods struggle to capture the complex causal relationships arising from concurrent events and lack robustness to incomplete event sequences. To address these issues, we propose a resilient concurrent causal discovery method, termed RCCD, enabling robust learning of causal graphs from topological event sequences. Specifically, we first introduce an influence-aware hyperedge causal attention mechanism, which incorporates event duration into the embedding representation, aggregates concurrent event features via hyperedge causal convolution, and injects network prior knowledge to capture the complex many-to-one causal interactions. Furthermore, we design a masked-based alternating causal optimization framework, which forces the model to recover masked event types based on context through self-supervised mask reconstruction, thereby enhancing the resilience of the predictor to missing data. To validate the effectiveness of our method, we conduct extensive experiments on both simulated and real-world telecommunication network datasets. Experimental results demonstrate that the proposed method significantly outperforms existing state-of-the-art methods in both accuracy and robustness, making it more suitable for real-world telecommunication network environments.
Federated learning enables privacy-preserving collaborative training, but highly heterogeneous client data remain challenging, especially in graph federated learning where clients possess structurally diverse graphs. Existing personalized federated learning (PFL) methods ignore the intrinsic geometric properties of diverse graph structures. We propose FlatLand, a novel personalized federated learning method that embeds different clients' data in tailored Lorentz space of hyperbolic geometry. Our key insight is that hyperbolic geometry naturally accommodates the intrinsic negative curvature prevalent in real-world graphs, while the time-like dimension in Lorentz space provides a principled way to encode client-specific heterogeneity. We develop a parameter decoupling strategy that separates heterogeneous information (captured in time-like parameters) from common knowledge (preserved in space-like parameters), enabling direct aggregation without requiring client similarity estimation and extra calculation modules. Empirical results on diverse federated graph learning tasks demonstrate that FlatLand achieves superior performance, particularly in low-dimensional settings.