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.
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.
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.
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.
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.
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.
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.
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.
Bayesian Neural Networks (BNNs) with Bayesian output layers provide a principled and tractable framework for quantifying predictive uncertainty, yet the mechanisms shaping that uncertainty remain unclear. While conventional theory attributes uncertainty reduction to posterior contraction, the corresponding assumptions need not hold for deep models. In the Graph Neural Networks (GNNs) with Bayesian output layers studied here, we observe that predictive uncertainty decreases as latent representations shift toward lower-variance posterior directions, even though the posterior variance does not contract. We term this behavior Latent-Posterior Alignment (LPA) and conduct interventional experiments that support its functional role in shaping predictive uncertainty. Building on this insight, we propose Alignment-Guided Learning (AGL), which explicitly promotes this alignment during training. AGL effectively reduces predictive uncertainty while preserving accuracy and improves structural calibration, ensuring that the model confidence faithfully mirrors underlying data density. These findings provide a new perspective on uncertainty dynamics in GNNs with mean-field Bayesian output layers, shifting the focus from the magnitude of the posterior to the geometric interplay between latent and parameter spaces.
Graph Neural Networks (GNNs) are widely used on graph-structured data, but most suffer from two key weaknesses. First, message passing behaves as a low-pass filter under the homophily assumption, leading to poor performance on heterophilic graphs. Second, stacking layers drives node features toward constants, causing over-smoothing. Existing methods usually address these issues separately, while the few joint solutions rely largely on empirical heuristics, and many over-smoothing remedies sacrifice model expressiveness. We propose \textbf{CTQW-GNN}, a GNN based on Continuous-Time Quantum Walks (CTQW), to address both issues with theoretical justification. Its design exploits two properties of the CTQW propagator $e^{-\mathrm{i}Ht}$. First, it is unitary and has eigenvalues on the unit circle, so no frequency component is damped, counteracting the low-pass bias. Second, unitarity preserves feature norms and prevents the Dirichlet energy from decaying exponentially with depth, thereby mitigating over-smoothing. CTQW-GNN combines three complementary aggregation modules. \textit{CTQW-based Aggregation} evolves node features through the unitary propagator, preserving mid- and high-frequency signals for heterophilic graphs while preventing Dirichlet-energy collapse. \textit{CTQW-Attention Aggregation} constructs a multi-hop neighbor graph from CTQW amplitudes and applies attention over it, enabling access to distant homophilic nodes missed by single-hop aggregation. \textit{LF Aggregation} uses a standard low-pass GAT branch to retain strong performance on homophilic graphs, where pure CTQW aggregation can be suboptimal. We further provide a spectral-gap analysis explaining energy preservation and a Lieb--Robinson-type bound that gives a principled rule for selecting the walk time $t$.
Joint-embedding predictive architectures are selected almost universally by linear probing and effective rank. We report a case where both read healthily while the representation carries zero usable instance information. We repair it, and a second failure appears: the repaired metric saturates on a target carrying no structural information. Our corpus is a scientific-reasoning graph over 57,903 articles, each a subgraph. A Graph-JEPA predicts one masked aspect from a subgraph's remaining aspects, attaining linear-probe accuracy 0.871 and effective rank 18-47, yet retrieval recovers 0.00 of 14.4 bits (MRR 1.9e-4 vs chance 1.99e-4, p=0.98). Three upper bounds on the same pool and code recover nearly everything (+14.28, +14.34, +14.22 bits), ruling out corpus, masking, pool, and metric as causes. We trace this to variance allocation - frozen inputs place 86.05% of variance on subgraph identity and 0.40% on aspect identity, while trained latents place 0.39% and 99.61%. This is a property of the objective's optimum: the degenerate solution is a global minimum of the coupled predictor/EMA-target objective, present already at init. A repaired configuration reaches 14.377 of 14.379 bits, above the 13.865-bit oracle; reverting the loss to regression drops it to 0.307 bits, confirming it. Yet the repair licenses nothing about reasoning: the target is reducible, since intra-subgraph edges are a deterministic function of node census. The oracle reaches 96.4% of the ceiling, and our largest effect is the learning-rate schedule, not architecture. Bits and a reasoning probe show no relation across ten cells. A data-derived target fails a quality gate - 25.96% of nodes are duplicate placeholders, and the rest is more generic than supporting evidence. Rank, probes, and metrics can all saturate on an unsupportive evaluation. We release a harness with a reducibility audit and target gate.
Graph neural networks (GNNs) are widely used, but how parameter sparsity affects the expressivity of relational (RGNNs) and temporal (TGNNs) variants is poorly understood. The Strong Expressive Lottery Ticket Hypothesis (SELTH) posits the existence of sparse GNNs that preserve Weisfeiler-Leman (WL) expressivity on static graphs. We generalize this existence result to a probabilistic statement for multi-relational and temporal domains via the relational WL (RWL). We prove that sufficiently parameterized RGNNs contain sparse subnetworks that maintain 1-RWL expressivity and derive a lower bound on the probability that a random pruning yields such a subnetwork. We show that common TGNNs and cross-graph message passing schemes admit RGNN reformulations such that they inherit these guarantees and, moreover, that the expressivity of a sparse RGNN is connected to its optimization behavior under common update regimes. Experiments instantiate the bound, compare it to empirical probabilities on synthetic data, and study how pre-training expressivity relates to optimization and prediction quality metrics on temporal and molecular benchmarks.
To combat oversmoothing in Graph Convolutional Networks, Sheaf Neural Networks (SNNs) were proposed as a generalization by equipping the graph with a sheaf structure and replacing the graph Laplacian with a sheaf Laplacian $\mathcal{L}$. Existing analyses connect sheaf diffusion to oversmoothing via the harmonic space ($\ker\mathcal{L}$), taking its absolute dimension as an indicator of anti-oversmoothing capacity. However, absolute dimension alone is not a reliable measure: certain sheaf configurations inflate $\dim \ker \mathcal{L}$ while their harmonic sections remain entirely constant, without enriching discriminative capacity. We instead introduce the first relative, geometric approach, yielding a precise characterisation of anti-oversmoothing capacity. Under natural conditions on stalk transportation and global sheaf structure, we establish an index-theoretic comparison criterion showing that one sheaf's harmonic space genuinely contains another's beyond trivial inflation. We illustrate this with a concrete instance and further introduce \textit{GyroSheaf}, a sheaf with curved gyrovector-space stalks, extending the criterion to the non-linear setting via local tangent-space linearization. Experiments across ten models confirm the theoretical criterion: sheaf models violating the criterion collapse despite possessing index jumps, while compliant models maintain depth-stable representations.
Sai Karthik Navuluru, Siddhartha Shankar Das, Bo Ni +9cs.LG
Graph neural networks are commonly described through family-specific equations whose notation obscures shared computations and structural differences. We introduce a common layer equation that represents covered architectures through seven components: an update domain, channel set, propagation bank, per-channel message maps, channel-fusion operator, ego/residual map, and update map. The central factorization separates where information moves, encoded by the propagation bank, from what moves, encoded by the message maps. Function-valued fillings extend the same equation across local message passing, attention, spectral filtering, global communication, relation-specific channels, higher-order domains, and geometric messages. We make this unification explicit and checkable through worked reductions of canonical layers and component assignments spanning seven nonexclusive architectural families. A fixed slot discipline assigns operations by computational role and defines the framework's coverage boundary. The decomposition also yields component-level theoretical insights: under endpoint-local messages and node-local updates, operator support bounds one-layer dependencies, and one-layer global mixing requires a full effective operator row under the stated hypotheses. The resulting framework organizes more than 200 architectures in a common design space, enables component-wise comparison and generation of structurally consistent architectures, and connects propagation choices to oversmoothing, oversquashing, heterophily, and expressivity. It further exposes the empirical inverse problem of mapping measurable graph and task properties to validated component choices.
Post-hoc Graph Neural Network (GNN) explainers commonly follow a Perturb-Query paradigm, inferring the importance of graph elements based on queried predictions to perturbed inputs. However, such perturbations often introduce substantial distribution shift, undermining the reliability of the queried predictions used to derive explanations. While existing efforts mainly improve perturbed graphs or stabilize model predictions on them, we revisit the perturbation mechanism itself. We show that the widely used Element-wise Masking(EM) suppresses edge-induced messages toward zero, causing deterministic scale contraction that accumulates across message-passing layers, a phenomenon we term Scale Drift. Consequently, prediction changes under EM may conflate information corruption with deviations in propagation scale. As a scale-stable alternative to EM, we introduce Noise Corruption (NC), which perturbs each message through matched-norm random-direction corruption while preserving the expected squared message norm. Building on NC, we propose NICE, a Noise Corruption-based explanation framework, which learns a Stochastic Restoration Boundary (SRB) under NC-induced uncertainty, balancing target-prediction restoration against compactness. Furthermore, Boundary-Integrated Gradient (BIG) converts this boundary into edge attributions by accumulating each edge's contribution to reducing restoration risk along the restoration path. Experiments across multiple benchmarks demonstrate stronger explanation performance and model faithfulness while confirming that NC substantially reduces the Scale Drift induced by masking.
Preben M. Ness, Fariz Ikhwantri, Dusica Marijancs.LG
Are heterophilic nodes in a graph harder to classify because they are heterophilic or because they are rare? Some existing work frames classification of such nodes as a subgroup generalisation problem, where a model performs well on the majority group at the expense of the rare group. Others explain this as a problem of neighbourhood aggregation in graph neural networks (GNNs). We assess these two viewpoints through a detailed evaluation of six GNNs on five datasets of varying homophily, and find that homophilic nodes tend to be easier to classify, even when they are rare---challenging the subgroup framing. However, our findings also nuance existing beliefs about how GNNs misrepresent heterophilic nodes. We demonstrate that the information needed to classify heterophilic nodes correctly is often recoverable by retraining the classification head of a model, or even just the final linear classification layer.
Networked systems, from power grids to traffic networks and cloud clusters, carry loads across nodes with limited capacity. A node whose load exceeds its capacity fails and sheds its load onto its neighbors, which can trigger a system-wide cascade. We study how to allocate a fixed capacity budget across nodes to resist these cascades under local load redistribution. The problem is difficult because no optimal allocation is known, and the fail-or-survive objective is non-differentiable and piecewise constant, so exact and gradient-based optimization methods do not directly apply. We introduce TANGCO (Topology-Aware Neural Graph-Guided Capacity Optimization), which uses a graph neural network policy trained through the cascade simulator with policy-gradient learning and a heuristic anchor. We evaluate TANGCO on five synthetic graph families and five real networks spanning power, road, air, and Internet topologies. The learned policy improves on the best of four hand-designed heuristics in all 450 synthetic instances and in 40 of 45 real-network conditions, with robustness gains ranging from 1.6% to 246%. The learned policies transfer to unseen graphs within a family and partially across related topologies, and TANGCO$^{pre}$, pre-trained on synthetic graphs, matches per-network training on unseen real networks. Training scales near-linearly with graph size, and TANGCO$^{pre}$ allocates on a new network with no per-target training, matching the deployment cost of a hand-designed heuristic. Free-vector variants without the GNN, stay close to the heuristics, so the graph representation carries the gain beyond numerical search. Finally, analysis of the learned allocations identifies when local risk is sufficient, leads to an improved closed-form heuristic, and reveals the regimes where a topology-aware learned policy remains necessary.
Pablo Barceló, Floris Geerts, Matthias Lanzinger +2cs.LG cs.LO
We prove that, on finite simple undirected graphs equipped with a single Boolean node feature, the Boolean queries expressible in $Σ$-MPLang, for any collection $Σ$ of eventually constant activation functions and with arbitrary real coefficients, form a strict subclass of the Boolean queries expressible in ReLU-MPLang. We thereby settle a recently posed open problem: whether ReLU-MPLang is more powerful than trReLU-MPLang when it comes to Boolean queries. In particular, this implies that ReLU-GNNs are strictly more expressive than {TrReLU,id}-GNNs with respect to Boolean queries on Boolean-featured graphs.
Deep graph neural networks(GNNs) suffer from oversmoothing- a progressive collapse of node representation towards a low information subspace as network depth increases because the normalized graph propagation operator is repeatedly applied directly to the hidden representations. In this work we study Householder Graph Neural Network (HouseGNN). Rather than updating the hidden state like standard GCN, HouseGNN uses the aggregated neighbourhood message solely to estimate a reflection direction; the node embedding is then updated by a Householder reflector followed by GroupSort, yielding a piecewise orthogonal layer that preserves Euclidean norm at every node and at every depth. We prove three core properties: (i) every internal layer preserves the node-wise Euclidean norm; (ii) the Householder reflector is scale scale and sign-invariant in the message; and (iii) pairwise distance between nodes can change through mismatch between node-wise orthogonal operators.