Message Passing Neural Networks

The sharp increase in mass shootings underscores an urgent need for systems that guide victims to safety in real time. An effective evacuation system must minimize threat exposure while also accounting for adversarial uncertainty and crowding dynamics. Current methods in the literature are rigidly constrained to layout-specific policies and computationally intractable in large-scale layouts, while practical guidelines simply advise victims to "run", "hide", or "fight". We propose GPEvac: a GNN-based PPO framework that computes adaptive evacuation routes during shooting events. To capture both local and long-distance dependencies, we introduce an edge-first sequential message-passing scheme with a learnable virtual global node. The resulting graph embeddings are integrated into a permutation-invariant scoring mechanism that allows a single learned policy to operate across building layouts of diverse topologies and sizes. Through extensive simulation, we show that GPEvac outperforms intelligent baselines across distinct architectural layouts, significantly reducing total threat exposure. Crucially, the system computes global evacuation routes in just 14.73 ms on local CPU hardware, enabling seamless integration with live surveillance systems. In addition to saving lives during shooting events, the methodologies developed are transferable to other graph-structured decision-making domains, including critical infrastructure, intelligent transportation systems, and adaptive sensor networks.

We prove that the Hypergraph Neural Network, an invariant architecture with 3-body message passing, is a universal approximator for potential energy surfaces. Our main contribution is a multi-layer completeness theory. We show that $L$ layers of message passing on sparse, cutoff-based graphs achieve the same representational power as having access to the full $L$-hop neighborhood, provided the configurations are generic, satisfy an overlap condition and a connectivity condition. This provides the first rigorous justification for the common practice of using multi-layer message passing with a per-layer cutoff smaller than the physical interaction range, the setting used by virtually all practical graph neural network based machine-learned interatomic potentials. As immediate consequences, we show that both DPA3 and CHGNet architectures inherit universal approximation.

Graph learning presupposes a graph, and tables and relational databases do not come with one. Applying a GNN to them requires deciding which entities become nodes, which of them to connect, and through which relations---a decision made by hand, by schema heuristics, or by training a model on every candidate graph and keeping the best. We give a criterion that requires no trained graph model. In the minimal table-to-graph abstraction each row is a node, so a message-passing GNN, bounded by 1-WL, sees a construction only as a partition of the rows into colour-refinement classes: a construction is good for a task when that partition separates rows with different labels and does not split rows that share one. AutoGrable turns this criterion into a construction procedure. For incidence constructions the partition is fixed by the selected columns, so building a graph reduces to choosing them, and we score a candidate subset by a label-alignment risk: the held-out risk of the best predictor constant on its blocks, penalised by an occupancy term measuring how thinly the blocks are populated. The score materialises no graph and trains no GNN, so AutoGrable can search the space of subsets greedily and cheaply, and returns the resulting grable for single tables and for foreign-key schemas alike. Our experiments show that over a space of candidate graphs the score discards a large fraction while retaining the best; that AutoGrable recovers the columns that generate the label on controlled tasks and outperforms fixed, random, and task-aware constructors on real tasks under a fixed predictor; and that it is the only method compared that can decline to build a graph when none helps.

Message-passing neural networks (MPNNs) often struggle when task-relevant information is distributed across distant regions of a graph, since local propagation must compress remote signals through limited structural interfaces. Graph rewiring provides a structural response to over-squashing. Most existing methods rely on edge-level bottleneck scores or graph-level connectivity surrogates. With a limited rewiring budget, the key question is which pairwise communications most need structural support. This paper proposes PairAlign, a pair-centric graph rewiring framework that makes this question explicit through demand-support shortage. Specifically, PairAlign combines original-graph structural demand with current-graph finite-hop propagation support; their ratio highlights interactions whose communication demand is poorly supported by topology, and our theory shows that this score provides a computable proxy for the corresponding Jacobian-based shortage with a pair-level interpretation of over-squashing. Our theory reveals a two-sided effect of edge insertion: a new edge can create useful walks and simultaneously dilute existing normalized transition mass. Guided by this observation, PairAlign optimizes shortage to favor edge additions that alleviate over-squashing. Beyond selecting useful additions, PairAlign further introduces an Optimal Transport-guided rewiring mechanism to coordinate the finite edge budget for pair-level structural compatibility and shortage-target coverage. It formulates communication alignment between the candidate edge budget and the shortage targets, and the theory shows that this allocation covers shortage targets more broadly and effectively than a greedy-local assignment. Experiments on standard graph benchmarks show PairAlign's improvement across message-passing backbones, validating pair-level repair as an effective route for alleviating over-squashing.

Graph neural networks typically propagate information through repeated message-passing layers, coupling the distance over which information travels with the number of nonlinear transformations applied. This coupling can make deep architectures difficult to optimize and can lead to over-smoothing, over-squashing, and the loss of long-range information. Linearized Graph Sequence Models (LGSMs) address this issue by separating information depth from processing depth and treating the successive propagation states of each node as a sequence. However, existing LGSMs construct these sequences using fixed graph operators, limiting their ability to adapt propagation to the input graph, node features, and downstream task. We introduce HOPPER, an end-to-end learnable extension of LGSM that learns how hop sequences should be extracted before they are processed by a modern state-space model. Our framework supports feature-conditioned, structure-aware, graph- and hop-adaptive propagation mechanisms while preserving permutation equivariance. Standard adjacency-based and non-backtracking LGSM sequences arise as special cases of our proposed extractor family. We show that HOPPER is state-of-the-art or competitive across the ECHO-Synth benchmark, and that varying the maximum neighborhood size of message backtracking cancellation (i.e. structural memory window) can optimize accuracy on the LRIM physics-based long-range dependency benchmark. These results demonstrate that learnable sequence extraction provides a flexible and effective approach to long-range graph representation learning.

Multimodal supervised learning seeks to leverage multiple heterogeneous data sources to improve predictive performance. A central challenge is determining the fusion granularity across modalities: over-integration may amplify noise while under-integration fails to exploit cross-modal dependence. Existing approaches rely on pre-specified fusion architectures, from early to late fusion, that may not adapt to the underlying dependence structure among modalities. We propose DAIF, a data adaptive intermediate fusion framework that combines random matrix theory and non-parametric dependence measures to learn fusion structure directly from data. We operate under a Bayesian multimodal factor model where the prior on the latent factors determines the cross-modal dependence. Our method clusters modalities based on estimated intermodal dependence, then performs clusterwise empirical Bayes estimation of the priors. These estimated priors are used to construct denoisers within an approximate message passing (AMP) framework, yielding denoised low-dimensional features that borrow strength across related modalities while preserving modality-specific signal. The resulting embeddings are used for downstream supervised prediction. We evaluate the framework through simulations under varying dependence structures and signal regimes, comparing against several benchmark methods, and demonstrate its practical utility on two multimodal datasets, namely a trimodal TEA-seq dataset (Swanson et al., 2021) and TCGA-BRCA dataset (Goldman et al., 2020). In the first example, we predict the expression level of a T-cell differentiation marker protein and in the second case we analyze patient survival prediction based on multimodal information. Our method competes with or outperforms the state-of-the-art techniques in both prediction problems, demonstrating its versatility across diverse supervised learning tasks.

Virtual nodes give message-passing neural networks a simple global communication route, but the standard node--VN--node pipeline compresses the graph into one homogeneous state and broadcasts it identically to every node. Building on the Two-Radius analysis of Mishayev et al., we ask how auxiliary virtual memory can relieve this finite-capacity bottleneck without self-attention. We identify two requirements. First, the global memory should be factorized into independently writable and readable states: this can be achieved using addressable cross-attention slots. Second, addressability alone does not preserve multiplicity, because softmax attention is invariant to uniform replication. Inserting each slot query as a private key/value anchor recovers the discarded normalization mass and yields, on bounded color domains, an injective multiset representation able to implement a 1-WL refinement. Experiments on multiplicity-aware Two-Radius, motif counting, and constrained link-set prediction support this addressable and cardinality-preserving virtual memory at (O(nMd)) arithmetic cost.

Graph Neural Networks (GNN) facilitate effective prediction on graph data such as molecules, media networks and neural network blueprints. GNNs facilitate prediction through message passing techniques which define how information flows from a node to its neighbors. Due to the ubiquity of the graph data type, the development of newer and better GNNs has garnered much interest in the machine learning community. However, GNN evaluation and benchmarking is primarily driven by classification tasks. Thus, prospective GNN message passing layers are evaluated on their ability to outperform prior work in classification contexts. In contrast, GNNs are equally capable of performing scalar regression prediction, yet this class of problem is often overlooked when proposing new GNNs while the best classification GNNs are utilized in an a priori or off-the-shelf manner for regression problems. In response, this paper studies the efficacy of GNN layers in a slew of regression contexts from rank ordering, error minimization and insight extraction. Results show that deep convolutional GNNs, particularly GEN, are more effective at these tasks than attention-based GNNs, while other classical, theoretically-inspired GNNs remain competitive and efficient.

A central aim of unsupervised learning is to uncover latent factors that explain dependencies among observations. Probabilistic models typically achieve this by introducing multiple latent variables linked through a graph of conditional relationships, with distributional parameters and their dependence learnt from data. Learning relies either on distributional choices that allow tractable belief propagation, or on approximations that scale poorly with model size and complexity. We build on the recently developed recognition-parametrised modelling paradigm to propose an alternative approach: RAMP, a method that implicitly defines latent structure by learning a flexible, nonlinear, amortised message-passing framework. We show that RAMP enables efficient likelihood-based recovery of latent-variable distributions within expressive nonlinear models acting on complex high-dimensional data.

Bayesian inference provides a principled foundation for reasoning under uncertainty, but its computational cost hinders deployment on resource-constrained edge devices. In this paper, we present a hardware-oriented methodology for accelerating discrete Bayesian inference on commercial off-the-shelf embedded GPUs. We identify that the latency of a broad class of variational message-passing algorithms is dominated by tensor contractions. Our approach restructures the memory layout of these operations using two complementary merging strategies that produce compact, regularly-shaped primitives better suited for efficient GPU execution. We then introduce optional sparse array representations and a tensor-clustering scheme to reduce the memory footprint. We instantiate the methodology and produce optimized variants of three message-passing algorithms for Hidden Markov Models (HMMs), namely variational filtering, variational message passing, and marginal message passing. Furthermore, we complement this with a machine-learning-based autotuner that automatically selects the best-performing algorithmic variant for a given generative model specification. Benchmarked on an NVIDIA Jetson Orin AGX across 770 randomly sampled realistic Partially Observable Markov Decision Process (POMDP) configurations, our implementations achieve speedups of up to 5x, with typical gains of 2-2.5x, while producing numerically identical outputs to the baseline implementations.

How deep does a graph neural network need to be on a sparse graph? We study its purest statistical form: node classification on the sparse contextual stochastic block model (CSBM) with average degree $Δ=O(1)$, whose local weak limit is a broadcast-labelled Poisson Galton-Watson tree. Prior work derived a message-passing classifier $h_\ell$ that aggregates from each vertex at distance $k\le\ell$ the attenuated evidence $2\operatorname{artanh}(γ^k t(X_v))$, with $γ$ the edge signal and $t$ a bounded likelihood-ratio transform of the feature. We prove that the value of depth is governed by a single number, the Kesten-Stigum ratio $κ=γ^2Δ$. Below the threshold ($κ<1$), the error sequence is Cauchy at a geometric rate, $|\mathcal{E}(\ell)-\mathcal{E}(\ell')|\le Cκ^{(\ell+1)/3}$ for all $\ell'>\ell$, so all layers beyond depth $O(\log(1/ε))$ change the error by less than $ε$; conversely, under mild regularity each sufficiently deep layer still flips the decision with probability at least $cκ^{\ell/2}$, the empirically sharp exponent. Above the threshold ($κ>1$), depth is geometrically productive: $\mathcal{E}(\ell)$ is driven to a branching-process floor of order at most $1/(κ-1)$ at any geometric rate $κ^{-s\ell}$, $s<1$ (this bound has content only for $κ>17$). No local classifier of any depth beats the universal floor $e^{-Δ}Φ(-ζ)$ set by isolated roots ($ζ$ the feature signal-to-noise ratio), while the first layer provably helps by an explicit total-variation amount. Simulations with an exact belief-propagation baseline on the same trees show that the pairwise rule's error curve is mildly non-monotone in $\ell$, so an optimal finite depth exists (an exact instance is certified in the appendix), while BP saturates strictly faster, at an effective per-layer ratio below $κ$ that we identify.

Graph machine learning provides powerful tools for understanding complex networks and learning meaningful node representations. A central challenge, however, is designing embeddings with minimal distortion of both local and global functionals, such as shortest path lengths. Prior distortion guarantees for distance-preserving embeddings are worst-case in nature, producing overly pessimistic bounds that fail to capture the structure of typical large-scale networks. To address this, we analyze shortest-path approximation via landmark-based embeddings on inhomogeneous random graphs, a general model with type-dependent edge probabilities. By retaining shortest paths to a small set of reference nodes called landmarks, landmark-based methods effectively function as virtual graph spanners, where structural heterogeneity and controlled neighborhood expansion modeled via multi-type branching processes enable significantly tighter dimension-distortion trade-offs than classical worst-case bounds. We extend these guarantees to global, component-wide averages and unify the analysis across finite-type and continuous latent spaces through a novel metric sandwiching framework, establishing universal distortion bounds for general $L^2$ kernel models, including heavy-tailed and power-law networks. Finally, we introduce a GNN-augmented variant that replaces rigid, computationally expensive exact shortest-path queries with flexible, structure-aware neural surrogates. By leveraging the inherent alignment between graph neural message-passing and the dynamic programming principles of shortest-path algorithms, our approach demonstrates that models trained on small-scale random graphs learn to extract universal distance-preserving features, achieving robust generalization to large-scale, real-world networks that match or exceed the fidelity of classical, exact landmark-based embeddings.

Logical Multi-Hop Query Answering over Knowledge Graphs (KGs) can be formulated as querying, with an implicit completeness assumption. Current works mainly focus on Existential First Order Logic (EFO) queries. These EFO queries contain conjunction, disjunction, and negation operators. Most existing works employ transductive reasoning, meaning they are not capable of reasoning over entities unseen during training. In the real world, there is a resource scarcity, and we cannot train a model with all the nodes of a large KG. Hence, we propose InductWave, a wavelet-based inductive embedding method for logical query answering on large KGs. Here, the training graph consists of fewer nodes than the test graph. Our model performs on par with the baseline models while having half the number of message-passing layers. It outperforms all of them in most cases, with 75% of the layers. These fewer resource requirements enable us to evaluate InductWave on massive graphs, such as Wiki-KG. We test our model using extensive experiments across varying train-test graph proportions of the FB15k-(237) dataset, comparing it with the state-of-the-art models. The code and datasets for the model are available at https://github.com/kracr/inductwave/.

Many real-world systems are organized as networks where spatio-temporal dynamics unfold along connections and not discretely between nodes. Examples include utility networks such as water distribution systems or gas networks, electrical grids, and traffic flow networks. Such systems are naturally modeled as metric graphs, where edges correspond to one-dimensional Euclidean subspaces connected at vertices. Metric graphs are independent of an underlying global Euclidean space, limiting direct application of typical PINNs and operator-learning methods. Especially transport dynamics like advection require a methodology able to capture antisymmetric and long-range dependencies on graphs, which is itself a challenge. We propose a novel physics-informed message passing operator that encodes linear advection on metric graphs as an inductive bias. In the purely advective setting, the operator provably recovers the exact dynamics up to a theoretically derived discretization error without any training. Combined with trainable components like MLPs, our message passing operator extends to realistic advection-reaction dynamics in water distribution systems, where we achieve superior performance compared to baselines and zero-shot generalization across different graph topologies.

While inference-time scaling has improved the reasoning abilities of large language models (LLMs), the need to generate long chains-of-thought (CoTs) is a computational bottleneck. Thus, in contrast to sequential scaling methods like CoT, recent parallel scaling techniques instead use fork and join (FJ) primitives to divide work across multiple LLM threads. However, in the fork-join paradigm, threads are typically transient and do not communicate pointwise with one another which limits scalability. To tackle this, we introduce Message Passing Language Models (MPLMs), a framework for LLM reasoning in which threads communicate directly via lightweight send and receive primitives. MPLMs enable efficient scaling through two key mechanisms: (1) reduced communication costs, achieved by avoiding redundant context sharing, and (2) preemption, which allows threads to terminate early based on partial information from their peers. We demonstrate the promise of MPLMs on 3 classes of tasks. First, on Sudoku puzzles, we show that MPLMs require an asymptotically smaller context than both serial CoT and parallel FJ. We then fine-tune a single model to solve 25 x 25 puzzles that remain challenging for standard CoT and FJ approaches, as well as frontier reasoning models without tools. Second, on 3-SAT puzzles, the capability of preemption allows termination of unpromising branches, which results in improved efficiency. Finally, we show that appropriately prompted large pre-trained models follow the MPLM protocol, achieving competitive results on long-context question answering relative to popular fork-join approaches.

Modern machine learning models are trained by optimizing high-dimensional non-convex empirical risk functions. Such cost functions can have a multitude of local optima and yet, gradient-based optimization appears to converge to near-global optima. Within a simple supervised learning setting, we develop a precise picture of which parts of the empirical risk landscape are accessible by polynomial-time algorithms. We are given i.i.d. pairs $\{(\boldsymbol{x}_i,y_i):\; 1 \le i\le n\}$ with $\boldsymbol{x}_i\in \mathbb{R}^d$ standard Gaussian feature vectors, and $y_i\in\mathbb{R}$ response variables that depend on $\boldsymbol{x}_i$ through their projections on an unknown $k$-dimensional subspace. We use empirical risk minimization to learn a model that depends on an $m$-dimensional projection of the data (e.g., an $m$-neurons neural network). We propose an incremental approximate message passing (IAMP) algorithm and precisely characterize the training error it achieves, as well as the relation between test and training error, in the high dimensional asymptotics $n,d\to\infty$, with $n/d\toα\in (0, +\infty)$. Based on earlier work in related models, we expect that the performance achieved by our algorithm is optimal among polynomial-time algorithms.

Pre-trained foundation models have demonstrated remarkable success in many domains, enabling a unified backbone to generalize across diverse downstream tasks. However, extending this paradigm to graph learning remains challenging due to the intrinsic mismatch between graph data and fixed architectural designs. In this work, we show that this limitation can be overcome via recurrent graph models. To achieve this, we conduct a systematic theoretical analysis, rigorously deriving step dependence as a necessary and sufficient condition for an adaptively convergent recurrent process. Building on this foundation, we propose AdaR, an Adaptive Recurrent graph model, empowering flexible test-time computing on various downstream tasks without changing model parameters. To enable adaptive inference, AdaR explicitly encodes normalized step information and representation-target relations into the recurrent updates. To ensure convergence of the recurrent process, AdaR employs gradient-based supervision signals that guide representation updates throughout the recurrence. Empirical results demonstrate that AdaR consistently outperforms strong baselines in both inductive and transductive settings.

Most graph neural network (GNN) cores rely on graph convolutions, typically implemented as message passing between direct (single-hop) neighbors. In many real-world graphs, edges can be noisy or poorly defined, limiting information propagation to local neighborhoods. Existing diffusion kernels, such as Personalized PageRank (PPR) and Heat Kernel, alleviate this issue through global propagation, but still struggle with complex local structures and distant node noise. To address these limitations, we propose a K-Hop Gaussian (KHG) diffusion kernel as a preprocessing module for graph data. KHG introduces multi-hop diffusion with Gaussian weighting for remote nodes, balancing local and global information propagation before applying standard GNNs. Experiments on multiple benchmark datasets demonstrate that KHG significantly outperforms traditional message-passing GNNs, as well as PPR and Heat Kernel diffusion, particularly in noisy or structurally complex graphs.

Probabilistic inference over spatially embedded variables requires beliefs that respect $SE(3)$ symmetry, yet existing equivariant networks produce only scalars and vectors -- not the rank-2 precision tensors needed for anisotropic uncertainty, and single-component messages collapse multi-modal energy landscapes to physically meaningless averages. We introduce Equivariant Neural Belief Propagation (ENBP), a factor-graph framework whose messages are equivariant Gaussian mixture models with sufficient statistics that transform exactly under $SE(3)$. Rank-2 precision matrices are synthesised via equivariant outer products, ingested through differentiable spectral decomposition, and kept tractable by a greedy KL-based mixture reduction that provably commutes with $SE(3)$. On GEOM-QM9 and GEOM-Drugs, ENBP achieves 98.9% conformational coverage at 0.090 $\mathring{A}$ error with sub-second latency -- over $100\times$ faster than diffusion baselines at higher accuracy. On multi-body robotic inference, vanilla loopy BP diverges at 15+ agents while ENBP converges with near-zero collision rates and machine-precision equivariance error (${\sim}10^{-7}$ vs.\ $10^{-1}$ for augmented baselines).

Whilst the vulnerability of graph neural networks (GNNs) to adversarial attacks poses a critical threat to graph representation learning, the understanding of the robust generalization behavior remains a fundamental challenge in the adversarial setting. Recently, PAC-Bayesian margin-based generalization analysis substantially advances this line of research by providing a flexible and data-dependent analytical framework. However, existing robust analyses often rely on isotropic Gaussian posteriors and control weight perturbations in the full parameter space, which limits the ability to capture heterogeneous parameter sensitivity yet hinges on hidden-width-dependent complexity terms, resulting in not-tight-enough generalization bounds. In this paper, we extend a recently proposed sensitivity-aware PAC-Bayesian framework from deep neural networks to message passing GNNs (MPGNNs) and derive a tighter robust generalization bound in the adversarial setting. Specifically, we first quantify how sensitive the perturbations across different parameter blocks are to the network outputs by deriving the output Jacobians with respect to the weight parameters. Exploiting the fact that these Jacobian matrices have rank at most $K$ in $K$-class graph classification, we then construct Jacobian-aligned sensitivity matrices and use anisotropic Gaussian posteriors with optimized covariances to upper bound the KL divergence in a tight way. Notably, by refining the spectral-norm dependence on the learned weights and reducing the leading dimension factor from hidden-width-dependent terms to the number of classes $K$, our analysis yields much tighter robust generalization guarantees for MPGNNs, thereby guiding their designs to enhance adversarial robustness.

While Virtual Nodes (VNs) are often utilized in Message Passing Neural Networks (MPNNs) to facilitate effective message passing, existing VN-based methods have limitations, such as constraining all nodes to connect to the same number of VNs, fixing the connections before applying MPNNs, and connecting a node to a VN independently of the other nodes that connect to the same VN. We propose MAVN, an end-to-end differentiable MPNN framework that allows non-constrained connections between nodes and VNs and dynamically introduces VNs on demand in response to evolving node representations across layers. Specifically, MAVN learns to adaptively determine when (at which layer) and where (to which nodes) to introduce and connect VNs based on the relative importance of connections. From a pool of candidate VNs, MAVN selects the necessary VNs in each layer, where each selected VN is connected to a nonempty subset of nodes, guided by a dual-perspective scoring mechanism that jointly captures the nodes' preferences for VNs and the VNs' preferences for nodes. We theoretically prove that for any node-VN connectivity pattern, there exists a set of MAVN's parameters that can simulate the pattern. Experiments on nine real-world datasets demonstrate that MAVN consistently improves the performance of backbone MPNNs, achieving up to 46.5% improvement over the backbones and outperforms the baselines.

We present a simple and efficient algorithm for robust approximate message passing (AMP) in the spiked matrix setting. In particular, let $\varepsilon$ be a sufficiently small constant, and suppose that $X \in \mathbb R^{n \times n}$ is a Gaussian matrix with a planted rank-$1$ spike, and $E \in \mathbb R^{n \times n}$ is an adversarially chosen matrix supported on an $\varepsilon n \times \varepsilon n$ principal minor. Let $v_{\mathrm{AMP}}(X)$ be the output of an AMP iteration on the uncorrupted matrix $X$. We give a procedure that, given access only to the corrupted matrix $Y = X + E$, computes a vector $v_{\mathrm{ALG}}(Y)$ which is $\tilde{O}(\sqrt{\varepsilon})$-close to $v_{\mathrm{AMP}}(X)$, for any of a class of AMP iterations which includes sparse Principal Component Analysis (PCA), non-negative PCA, and $\mathbb Z_2$ synchronization. Our algorithm consists of a spectral pre-processing step combined with a robust spectral initialization procedure; given these inputs, we prove that (perhaps surprisingly) AMP is robust out-of-the-box.

We propose a topological framework for comparing trained Graph Neural Networks (GNNs) by mapping the Stochastic Block Models (SBMs) induced on the graphon-signal space of a Message Passing Neural Network (MPNN) onto the unit $n$-sphere $\sphere^{n-1}\subset\R^n$. The construction rests on three classical pillars: the \emph{compactness} of the cut-distance graphon space $(\Wo,\cutdist)$ \citep{lovasz2006limits,lovasz2012large}, the Frieze--Kannan \emph{weak regularity lemma} together with its graphon-signal extension due to \citet{levie2023graphon}, and the Lipschitz continuity of MPNNs with respect to the cut-distance. We show that, for any prescribed tolerance $\varepsilon>0$, a trained MPNN $Φ$ acting on a sufficiently large graph factors (up to $\varepsilon$) through a step-graphon-signal of bounded complexity, and we construct an explicit measure-preserving map $Ψ_n\colon[0,1]\to\sphere^{n-1}$ that places the SBM regions on disjoint spherical caps. This produces a problem-agnostic, low-dimensional ``fingerprint'' of a trained GNN that is amenable to visual inspection and to nearest-neighbour search across model zoos, enabling \emph{transfer-learning candidate retrieval} without retraining. We discuss the obstruction posed by concentration of measure in high dimension -- a phenomenon directly relevant to LLM-scale embeddings. We close with five concrete future research directions: hyperbolic and Grassmannian alternatives to the spherical model, Gromov--Wasserstein distances on graphon-signals as an isometry-free alternative to the $n$-sphere map, an information-geometric (Fisher) reformulation of the SBM manifold, persistent-homology fingerprints of layer-wise embedding clouds, and a spectral-distance baseline derived from the graphon eigendecomposition.

Message-passing neural networks (MPNNs) are widely used for molecular property prediction, but their deployment as monolithic architectures makes it difficult to identify how specific message-passing operators affect performance. We present an operator-level factorial benchmark that decomposes 2D molecular MPNNs into the three families of message-seed initialization, node-edge fusion, and node update operators. The resulting 84 configurations are benchmarked on ten MoleculeNet datasets under a shared experimental setup and statistical analysis protocol. Across this controlled design, performance variation is associated primarily with message construction rather than update complexity. Message-seed initialization shows significant family-level effects for both regression and classification, node-edge fusion shows a significant family-level effect for regression with descriptive advantages for concatenation-based mixing, and the update family shows no statistically supported effect for either endpoint family. A representation probe into the Quinethazone molecule further demonstrates that concatenation-based mixing can better differentiate chemically distinct heteroatoms and withstand oversmoothing than Hadamard gating. Representative configurations selected separately for classification and regression recover competitive performance relative to established molecular graph neural network (GNN) baselines, ranking numerically best on eight of ten benchmark datasets. These empirical results are interpreted through concise mechanistic analyses of representative node-edge fusion and update operators. Our findings provide empirical design heuristics for molecular MPNNs by turning model design from a search over monolithic architectures into a targeted assessment of where and how chemical information enters the message-passing pipeline.

Stacking probabilistic building blocks into deeper architectures typically breaks closed-form inference. We show that closed-form inference can be preserved. We identify five factor-graph primitives: a bilinear factor, an exponential link, a Gamma prior, a Gaussian likelihood, and an equality node, and prove that any model composed from them admits closed-form variational message passing. The construction works because each primitive preserves a small set of message families: under mean-field factorization, messages on Gaussian variables remain Gaussian and messages on precision variables remain Gamma, while the only non-conjugate interface, the exponential link, remains tractable through the Gaussian moment-generating function and the sufficient statistics of the Gamma family. We demonstrate composition at increasing depth, from static ensembles through input-dependent gating to split-branch routing, and show that stacking routing layers encodes arbitrary decision trees, establishing universal function approximation with closed-form inference. Applied to ensemble time-series forecasting, the framework yields a Bayesian mixture of experts in which gating functions are inferred rather than learned, providing calibrated uncertainty over expert selection across five benchmark datasets.

Predicting whether two drugs interact (binary detection) is a substantially dif- ferent task from predicting the mechanism type of that interaction (multi-class classification). This study presents a systematic ablation study of three Graph Neural Network (GNN) architectures for drug-drug interaction (DDI) prediction on a publicly available benchmark dataset comprising 38,337 positive pairs across 86 interaction types. Three architectures are compared under identical training conditions (n = 61,339 pairs): a siamese dual Message Passing Neural Network (MPNN) with concatenation (Concat), a dual MPNN with four-head cross-attention (CrossAtt), and a ternary MPNN incorporating an interaction graph (Ternary). CrossAtt improves multi-class F1-macro by +0.186 absolute (+45%) over Concat, while improving binary AUC by only +0.012 (+1.3%) - confirming that atom-level inter-molecular communication specifically enables mechanism-type classification. The ternary architecture underperforms despite equivalent training data, with its failure consistent with a training instability hypothesis. Validation on ten acetylsali- cylic acid (ASA) drug pairs, held out prior to training, demonstrates 10/10 correct DDI-type predictions for CrossAtt versus 0/10 for Ternary. Two consistent failure cases are identified across all architectures, linking to structural limits established in a companion toxicity study.

We introduce dualGNN', an autoregressive message-passing GNN for sampling fine, regular triangulations of lattice polytopes. dualGNN operates on a generalization of the dual graph of a triangulation, with edges labeled by signed circuits' -- combinatorial invariants from the theory of oriented matroids. We show that these circuits are necessary and sufficient to determine a triangulation's regularity from the graph, provided certain magnitude information is retained. The model is independent of the polytope's point count and invariant under its orientation-preserving symmetries ($\mathrm{SL}(d,\mathbb{Z}) \ltimes \mathbb{Z}^d$), and our masking procedure further guarantees that every rollout produces a fine triangulation (in 2D). On unseen polygons with $N_\mathrm{pts} \leq 40$, dualGNN is the only sampler we tested that is consistent with uniform sampling across all our diagnostics (KL divergence from uniformity, collision counts, and sample autocorrelation). The model is small ($\sim92$k parameters) and trains in $\sim7.5$ hours on a single consumer GPU. We apply dualGNN to string theory, sampling Calabi-Yau threefolds uniformly at $h^{1,1}=86$; we also sample CYs at $h^{1,1}=128$, observing no deviations from uniformity, but our diagnostics are weaker here. Code, training scripts, and pretrained models are available at https://github.com/natemacfadden/dualGNN (pip install dualgnn), and dualGNN is integrated into CYTools.

Scientific paper evaluation often involves not only assessing a manuscript itself, but also relating it to contemporaneous research and prior literature. However, existing LLM-based methods typically model these signals separately and lack a unified mechanism for propagating review evidence across papers. We propose $\textbf{GraphReview}$, a graph-based LLM framework that formulates paper evaluation as review-signal message passing over a semantic paper graph. The graph jointly captures intrinsic quality, synchronic links among contemporaneous papers, and diachronic links to prior work. LLMs are used to estimate node-level quality priors and generate edge-level comparative evidence through pairwise paper comparisons, while Personalized PageRank integrates review signals for quality ranking, decision prediction, and review generation. To produce higher-quality graph evidence, we propose reward-induced maximum likelihood objectives for training the LLM backbones. Experiments show that GraphReview consistently outperforms the strongest baseline, achieving average improvements of 29.7% on decision and ranking metrics, including gains of 23.7% in Accuracy and 57.6% in Spearman's $ρ$. It also produces higher-quality review texts and generalizes effectively across time periods and conference venues. The code is available at https://github.com/ECNU-Text-Computing/GraphReview.

Message-passing neural networks (MPNNs) are a powerful framework for learning representations of graph-structured domains. However, weights in MPNNs act on features only, limiting their ability to capture structural patterns. We introduce a novel structure-aware weight sharing principle that explicitly incorporates information inherent to the graph structure. Weights are indexed directly by user-chosen graph invariants, i.e., functions preserved under node permutations, enabling systematic reuse across structurally equivalent subgraphs. We present ShareGNNs, which instantiate this principle within a simple encoder-decoder architecture, resulting in an MPNN with learnable adjacency and transformer-like connectivity. We show that their expressivity is at least as strong as the discriminative power of the chosen invariants, providing explicit control over the model complexity. Experiments on synthetic and real-world data, as well as subgraph counting tasks, demonstrate consistent improvements over standard MPNNs, competitive expressivity beyond the 1-WL test, and scalability to large datasets.

The process of decision-making in football is characterized by a complex interplay between spatial positioning, opponent pressure, and player intent. This work introduces a Graph Neural Network (GNN) framework designed to predict Receiver Selection, the optimal passing target, by modeling on-field interactions as dynamic graphs. Each player is represented as a node with positional and contextual features, while potential passing lines form weighted edges characterized by distance, angle, and pressure metrics. A Message-Passing Neural Network (MPNN) has been developed and trained using a combination of tracking data and event data from professional matches, synchronized through a robust pipeline based on an optimized version of the Needleman-Wunsch Algorithm. The model achieves competitive accuracy in identifying the actual chosen receiver and state-of-the-art accuracy within its top three suggestions. Our model further offers quantification of each option's likelihood, threat, and creativity, enabling performance analysts to evaluate over 1,000 passes in seconds.

Message-passing neural networks (MPNNs) often suffer from an information bottleneck when capturing long-range dependencies, leading to the oversquashing (OSQ) phenomenon. Alongside spatial connectivity enrichment (e.g., rewiring), recent studies have shown that spectral filtering can yield strong long-range learning outcomes, as spectral operators enable global information mixing that alleviates OSQ. These approaches achieve this either by stabilizing the Jacobian energies in deep propagation or by guaranteeing OSQ mitigation under strong theoretical assumptions. We revisit these conclusions and show that the associated Jacobian sensitivity lower bound is generally difficult to achieve in practice. We then propose S$^3$GNN, which mitigates OSQ without such restrictive assumptions by lightweightly reintroducing omitted components with substantially lower computational complexity, while standard stability constraints on feature transformations remain effective under our new dynamics. Extensive experiments across diverse domains (e.g., long-range benchmarks, KGQA, and mesh-based fluid dynamics) demonstrate that S$^3$GNN achieves up to an order-of-magnitude error reduction with up to 50% fewer parameters. Our code can be found in https://github.com/EEthanShi/S3-GNN.git.

Hyper-relational knowledge graphs (HKGs) effectively represent complex facts. While inferring new knowledge in HKGs is a critical problem, current methods cast it as a simple link prediction, assuming that nearly all entities and relations within a fact are known, leaving only a single blank to be filled. However, this restricted assumption may not hold in real-world scenarios in which multiple, or even all, constituent components of a fact may be missing simultaneously. To bridge this gap, we introduce a task called fact generation: generating a valid hyper-relational fact from an arbitrarily masked query, i.e., completing a partially observed fact or generating a fact from scratch. We propose KREPE, the first generative representation learning method for HKGs that learns to model the probability distributions of missing components conditioned on the local fact components and global structure of HKGs via a masked discrete diffusion. KREPE models both the intra-fact dependencies by contextual message passing and inter-fact correlations by aggregating stochastically sampled contexts. KREPE seamlessly unifies link prediction and fact generation within a single training framework, achieving state-of-the-art performance on standard HKG link prediction benchmarks and outperforming LLM-based baselines in generating novel and correct facts.

Real-time jet tagging is critical for identifying short-lived particle decays in the high-throughput detectors of the Large Hadron Collider, where real-time trigger systems responsible for deciding which collision events to store impose strict latency and accuracy constraints. While transformer architectures achieve the highest jet tagging accuracy when compute is unconstrained, their quadratic self-attention cost makes inference restrictive on trigger budget. Existing efficient variants reduce the computational cost, but hinder the classification performance. To address this limitation, we introduce the Patch Hierarchical Attention Transformer (PHAT-JeT), which combines two mechanisms: a physics-inspired geometric message-passing module that encodes local detector-plane structure, and a hierarchical patch-based attention scheme that computes exact attention within small particle groups while preserving global context through lightweight patch-token communication. Within a restricted budget, PHAT-JeT achieves state-of-the-art accuracy and background rejection among all resource-constrained jet tagging models on four benchmarks (\textsc{hls4ml}, JetClass, Top Tagging, and Quark--Gluon). Our code is available at https://github.com/aaronw5/PHAT-JeT.

Conventional approaches to learning on graphs involve message passing along existing (i.e., positive) edges to update node features. However, these approaches often disregard the potentially valuable information contained in the absence (i.e., negative) of edges. Here, we theoretically analyze the value of negative edges in graph representations and prove that in settings of low label rates, high homophily, and high edge density, access to negative edges provides significant information gain over using only positive edges. Motivated by this insight, we introduce Contrastive Message Passing (CMP), a general message passing architecture that enable graph neural network layers to reason over positive and negative edges. By imposing soft positive semidefinite constraints on the learnable weights, our approach differentially applies similarity-preserving transformations to positively connected nodes and dissimilarity-inducing transformations to negatively connected nodes. Over simulated and real datasets in varying data regimes, CMP consistently outperforms baselines in low-label settings when negative edges are informative.

Graph Neural Networks (GNNs) suffer from over-squashing in deep message passing, where information from exponentially growing neighborhoods is compressed into fixed-dimensional representations. We show that this issue becomes a distinct failure mode in multi-label graphs: neighboring nodes often share only limited labels while differing across many irrelevant ones, causing predictive signals to be diluted by noisy label information. To address this challenge, we propose the Multi-Label Graph Information Bottleneck (MLGIB), which formulates multi-label message passing as constrained information transmission under irrelevant label noise. MLGIB balances expressiveness and robustness by preserving predictive label signals while suppressing irrelevant noise. Specifically, it constructs a Markovian dependence space and derives tractable variational bounds, where the lower bound maximizes mutual information with target labels and the upper bound constrains redundant source information. These bounds lead to an end-to-end label-aware message-passing architecture. Extensive experiments on multiple benchmarks demonstrate consistent improvements over existing methods, validating the effectiveness and generality of the proposed framework.

Federated graph learning (FGL) enables collaborative training on graph data across multiple clients. As graph data increasingly contain multimodal node attributes such as text and images, multimodal federated graph learning (MM-FGL) has become an important yet substantially harder setting. The key challenge is that clients from different modality domains may not share a common semantic space: even for the same concept, their local encoders can produce inconsistent representations before collaboration begins. This makes direct parameter coordination unreliable and further causes two downstream problems: forcing heterogeneous client representations into a naively shared semantic space may create false semantic agreement, and graph message passing may amplify residual inconsistency across neighborhoods. To address this issue, we propose \textbf{STAGE}, a protocol-first framework for MM-FGL. Instead of relying on direct parameter averaging, STAGE builds a shared semantic space that first translates heterogeneous multimodal features into comparable representations and then regulates how these representations propagate over local graph structures. In this way, STAGE not only improves cross-client semantic calibration, but also reduces the risk of inconsistency amplification during graph learning. Extensive experiments on 8 multimodal-attributed graphs across 5 graph-centric and modality-centric tasks show that STAGE consistently achieves state-of-the-art performance while reducing per-round communication payload.

Forward error correction is essential for reliable communication over noisy channels. Attention-based model-free neural decoders have shown strong performance for short codes, but their scalability to longer codes is limited by the quadratic memory and computational cost of attention. In this paper, we introduce the Mamba message-passing decoder (MMPD), an attention-free syndrome-based neural decoder for binary linear codes. MMPD retains the Tanner-graph structure of a message-passing decoder by performing local pairwise aggregation along variable-check edges. To enable efficient long-range information propagation, these local updates are combined with bidirectional Mamba state-space blocks. By avoiding dense attention matrices, MMPD scales more favorably for long codes in both memory and computation. Experiments on the (1056, 880) LDPC code show that MMPD achieves a 0.45 dB gain over the state-of-the-art CrossMPT decoder at a specified target bit error rate, while reducing memory consumption by a factor of 1.5. This reduction factor increases substantially for longer codes, demonstrating the applicability of MMPD to scalable neural decoding of practical long codes.

The counting power of Message Passing Neural Networks (MPNN) has been the subject of many recent papers, showing that they can express logic that involves counting up to a threshold or more generally satisfy a linear arithmetic constraint. In this paper, we study the counting capabilities of MPNN beyond linear arithmetic, primarily utilising local and global mean aggregations. In particular, our goal is to tease out conditions required to express extensions of graded modal logic with polynomial counting constraints. We show that global polynomial counting constraints in node-labelled graphs can be checked using mean MPNN under mild assumptions. Checking local constraints is also possible, if we consider formulas with no nested modalities and additionally either (i) permit sum/max aggregations, or (ii) only restrict to regular graphs. We also show how formulas with nested modalities can be captured by mean MPNN over graphs with tree-like structures and similar assumptions.

Mesh-based simulations provide high-fidelity solutions to partial differential equations (PDEs), but achieving such accuracy typically requires fine meshes, leading to substantial computational overhead. Super-resolution techniques aim to mitigate this cost by reconstructing high-resolution (HR), high-fidelity solutions from low-cost, low-resolution (LR) counterparts. However, training neural networks for super-resolution often demands large amounts of expensive HR supervision data. To address this challenge, we propose SuperMeshNet, an HR data-efficient super-resolution framework for mesh-based simulations aided by message passing neural networks (MPNNs). At its core, SuperMeshNet introduces complementary learning, a semi-supervised approach that effectively leverages both 1) a small amount of paired LR-HR data and 2) abundant unpaired LR data via two jointly trained, complementary MPNN-based models. Additionally, our model is enriched by inductive biases, which are empirically shown to further improve super-resolution performance. Extensive experiments demonstrate that SuperMeshNet requires 90% less HR data to achieve even lower root mean square error (RMSE) than that of the fully supervised benchmark without the inductive biases. The source code and datasets are available at https://github.com/jykim-git/SuperMeshNet.git.

The Weisfeiler--Lehman (WL) test and its simplicial extension (SWL) characterize the combinatorial expressivity of message passing networks, but they are blind to geometry, i.e., meshes with identical connectivity but different embeddings are indistinguishable. We introduce the Geometric Simplicial Weisfeiler--Lehman (GSWL) test, which incorporates vertex coordinates into color refinement for geometric simplicial complexes. In addition, we show that (i) the expressivity of geometry-aware simplicial message passing schemes is bounded above by GSWL, and (ii) that there exist parameters such that the discriminating power of GSWL is matched by these schemes on any fixed finite family of geometric simplicial complexes. Combined with the Euler Characteristic Transform (ECT), a complete invariant for geometric simplicial complexes, this yields a geometric expressivity characterization together with an approximation framework. Experiments on synthetic and mesh datasets serve to validate our theory, showing a clear hierarchy from combinatorial to geometry-aware models.

In modern parametric model training, full-batch gradient descent (and its variants) suffers due to progressively stronger biasing towards the exact realization of training data; this drives the systematic ``generalization gap'', where the train error becomes an unreliable proxy for test error. Existing approaches either argue this gap is benign through complex analysis or sacrifice data to a validation set. In contrast, we introduce decoupled descent (DD), a novel theory-based training algorithm that satisfies a train-test identity -- enforcing the train error to asymptotically track the test error for stylized Gaussian mixture models. Within this specific regime, leveraging approximate message passing theory, DD iteratively cancels the biases due to data reuse, rigorously demonstrating the feasibility of zero-cost validation and $100\%$ data utilization. Moreover, DD is governed by a low-dimensional state evolution recursion, rendering the dynamics of the algorithm transparent and tractable. We validate DD on XOR classification, yielding superior performance compared to GD; additionally, we implement noisy MNIST and non-linear probing of CIFAR-10, demonstrating that even when our stylized assumptions are relaxed, DD narrows the generalization gap compared to GD.

The paper considers the computation of L1 regularization paths in a state space setting, which includes L1 regularized Kalman smoothing, linear SVM, LASSO, and more. The paper proposes two new algorithms, which are duals of each other; the first algorithm applies to L1 regularization of independent variables while the second applies to L1 regularization of dependent variables. The heart of the proposed algorithms is parametric Gaussian message passing (i.e., Kalman-type forward-backward recursions) in the pertinent factor graphs. The proposed methods are broadly applicable, they (usually) require only matrix multiplications, and their complexity can be competitive with prior methods in some cases.

We define an information-complexity property for aggregation functions, capturing a vast range of practical aggregations, and prove that any Message-Passing Graph Neural Network (MP-GNN) model with such aggregations induces only a polynomial number of equivalence classes on all graphs - while the number of non-isomorphic graphs is super-exponential (in number of vertices). Adding a familiar perspective, we observe that merely 2 iterations of Color Refinement (CR) induce at least an exponential number of equivalence classes, making the aforementioned MP-GNNs relatively infinitely weaker. Previous studies state that sum-aggregation MP-GNNs match full CR however they consider a weak, 'non-uniform', notion of distinguishing-power where each graph size may require a different MP-GNN to distinguish graphs up to that size. Our results concern both distinguishing between non-equivariant vertices and distinguishing between non-isomorphic graphs.

Discrete graph generation has emerged as a powerful paradigm for modeling graph-structured data, yet state of the art models often rely on Graph Transformers or higher order architectures. We revisit this design assumption by introducing GenGNN, a modular message passing backbone for graph generation. GenGNN enables powerful generation by persisting edge fields through latent refinement of coupled node edge graph states, all without requiring global attention. Diffusion models integrating GenGNN achieve over 90 percent validity on standard benchmark datasets, performing within margins of Graph Transformer backbones and achieving up to 2x or even 5x faster inference. Systematic ablations isolate how GenGNN is resilient to oversmoothing during generative denoising, indicating each GenGNN component is necessary for downstream generation quality. Finally, representation-space analysis suggests GenGNN learns functionally similar representations to more theoretically-expressive architectures; even at deeper layers. As such, GenGNN uplifts local message-passing to challenge prevailing assumptions that performant discrete graph generation requires global attention or higher-order representations. Source Code Available Here

Graph neural networks (GNNs) have become an indispensable tool for analyzing relational data. Classical GNNs are broadly classified into three variants: convolutional, attentional, and message-passing. While the standard message-passing variant is expressive, its typical pair-wise messages only consider the features of the center node and each neighboring node individually. This design fails to incorporate contextual information contained within the broader local neighborhood, potentially hindering its ability to learn meaningful relationships within the entire set of neighboring nodes. To address this, the paper first refines the concept of neighborhood-contextualization within GNNs, leveraging ideas from set-based aggregation methods and a key property of the attentional variant. This then serves as the basis for generalizing the message-passing variant to the proposed neighborhood-contextualized message-passing (NCMP) framework. To demonstrate its utility, a simple, mathematically grounded method to parametrize and operationalize NCMP is presented, leading to the development of the proposed Soft-Isomorphic Neighborhood-Contextualized Graph Convolution Network (SINC-GCN). Across a diverse set of synthetic and benchmark datasets, SINC-GCN strikes a highly favorable balance between expressivity and efficiency. Notably, while more complex models incur significant computational overhead, SINC-GCN delivers substantial performance gains with considerable effect sizes over baseline GNN models while maintaining a highly efficient asymptotic runtime complexity, further underscoring the distinctive utility of neighborhood-contextualization. Overall, by integrating multiset neighborhood context, the proposed NCMP framework serves as a practical and scalable path toward enhancing the graph representational power of classical GNNs.

Edge-attributed multigraphs, in which multiple edges with distinct attributes connect the same pair of nodes, arise naturally in many real-world systems. In these graphs, effective learning requires preserving information from repeated interactions while distinguishing contributions from different neighbors. Existing neural network solutions for edge-attributed multigraphs remain limited: some lose information from repeated interactions, while others break permutation equivariance. To address this, we introduce \emph{neighbor-aware aggregation}, an operator that first combines multi-edge features for each neighbor and then aggregates across neighbors. This operator captures per-neighbor statistics that standard single-stage aggregation cannot represent. Building on this operator, we present MEGA-GNN, a model-agnostic message-passing framework for edge-attributed multigraphs. We show that MEGA-GNN is permutation equivariant and has the same asymptotic complexity as standard GNNs with edge updates. We evaluate our approach on datasets from social networks and financial transaction networks. Neighbor-aware aggregation consistently improves GNN performance and matches or surpasses state-of-the-art methods.

Unitarity is a useful principle for stabilizing deep neural networks, but in graph neural networks (GNNs) instability is induced not only by learnable parameters but also by the graph propagation operator. Motivated by this distinction, we propose Graph Unitary Message Passing (GUMP), a message-passing framework that uses a unitary propagation operator on a transformed graph to avoid graph-induced exponential decay under repeated propagation. GUMP combines (i) a graph transformation that maps an input graph to an Eulerian line-graph construction admitting unitary adjacency matrices, and (ii) a practical unitary projection procedure based on Newton-Schulz iteration. Theoretical analysis clarifies that, under standard analysis assumptions, unitary propagation keeps the graph-propagation term depth-stable, while vanilla normalized propagation exhibits exponential decay in its non-trivial spectral components. Across synthetic long-range tasks, TUDataset benchmarks, and LRGB datasets, GUMP improves over vanilla message passing and achieves competitive or superior performance against strong baselines. Code is available at https://github.com/ucker/gump_code.

Mean-field characterizations of first-order iterative algorithms -- including Approximate Message Passing (AMP), stochastic and proximal gradient descent, and Langevin diffusions -- have enabled a precise understanding of learning dynamics in many statistical applications. For algorithms whose non-linearities have a coordinate-separable form, it is known that such characterizations enjoy a degree of universality with respect to the underlying data distribution. However, mean-field characterizations of non-separable algorithm dynamics have largely remained restricted to i.i.d. Gaussian or rotationally-invariant data. In this work, we initiate a study of universality for non-separable AMP algorithms. We identify a general condition for AMP with polynomial non-linearities, in terms of a Bounded Composition Property (BCP) for their representing tensors, to admit a state evolution that holds universally for matrices with non-Gaussian entries. We then formalize a condition of BCP-approximability for Lipschitz AMP algorithms to enjoy a similar universal guarantee. We demonstrate that many common classes of non-separable non-linearities are BCP-approximable, including local denoisers, spectral denoisers for generic signals, and compositions of separable functions with generic linear maps, implying the universality of state evolution for AMP algorithms employing these non-linearities.