Heterogeneous Graph Transformers

Modeling articulated objects from sparse monocular views is challenging because each observation reveals only partial geometry and motion evidence. Most feed-forward methods infer articulation from a single observation and therefore rely heavily on learned category-level shape priors. We present FAMOS, a feed-forward model that predicts movable-part segmentation and joint parameters from a sparse, unordered set of partial point clouds. Our model jointly reasons over multiple observations and naturally supports a variable number of inputs, including a single view. To aggregate articulation cues across observations, we introduce a Multi-state Articulation Transformer with alternating state-wise and global attention. We further propose an observed articulation span objective that supervises the motion range each part exhibits across the input observations, encouraging the model to leverage the full observation set. To overcome the limited scale and diversity of existing datasets, we introduce a procedural data generator that synthesizes self-annotated assets during training. Experiments on PartNet-Mobility, ACD, and ArtiCraft-10K demonstrate consistent improvements over both feed-forward and optimization-based baselines. Project page: https://kevinqu7.github.io/famos

The Large Language Model from Power Law Decoder Representations (PLDR-LLM) and its attention, Power Law Graph Attention (PLGA), replace the fixed bilinear form of scaled dot-product attention (SDPA) with a learned, input-generated bilinear operator $G_{LM}$, built from a positive tensor $A_{LM}$ by elementwise power laws. The architecture is fully specified, verified against pinned reference releases; claims are labeled theorem, conditional theorem, measurement, or conjecture. Unconditionally: PLGA contains SDPA exactly at $G_{LM}=I$; $A_{LM}$ and $A_P$ are strictly entrywise positive, with Perron-Frobenius structure on $A_{LM}$; the DAG regularizer has the NOTEARS walk-counting form and positivity obstructs exact acyclicity; and, under nonresonance (satisfied by standard rotary frequencies), a commutant criterion identifies which operators preserve relative-position dependence. An inference-collapse theorem: exact input invariance of deductive outputs collapses inference to generalized SDPA with a constant operator. Measured invariance: relative fluctuations of $10^{-6}$ and below; perturbation bounds quantify but do not certify cached inference; the assembled proxy misses the decoding margin. A conditional three-stage mechanism (rotary twirl, concentration, row-map contraction) is measured on a released checkpoint. Blockwise training and scoring under the global Gram are stated with explicit target exposure; on tested samples, block and sequential scoring select identical answers and agree on the published TruthfulQA probability-mass metric within $5\times 10^{-5}$ per item. Self-organized criticality enters as a phenomenological framework with an intrinsic order parameter; open claims become falsifiable conjectures. Selected proof cores are machine-checked in Lean 4.

Small businesses often have only 12-24 months of accounting history, yet planning and risk workflows require coordinated forecasts across financial statements. We study joint 12-month forecasting of 13 income-statement, balance-sheet, cash-flow, and working-capital key performance indicators (KPIs) from 71 monthly ledger series. We introduce the Accounting Graph Transformer (AGT), which represents each ledger series as a masked token, exchanges information through typed attention on a fixed accounting-relation graph, pools target-specific context, and fuses it with a gated three-month recency path. Across 11,993 forecast origins from 1,060 unseen companies, AGT achieves sample-weighted KPI-macro mean absolute error (MAE) $0.6990 \pm 0.0013$ over three independent seeds, compared with $0.7378 \pm 0.0014$ for the strongest baseline, LightGBM. At the pre-specified seed 42, a paired company-clustered bootstrap gives a LightGBM-minus-AGT difference of 0.0395 with 95% confidence interval (CI) $[0.0350,0.0439]$. AGT is best on all 13 KPIs against LightGBM, TimeMixer, and SOFTS in the matched seed-42 comparison, while final-architecture ablations show that relational attention, accounting topology, and the recency path each improve validation and test accuracy. On 7,094 additional unseen companies with origins sampled from January-May 2025, AGT obtains 0.7548 MAE versus 0.7694 for SOFTS. A single 5.3M-parameter model produces 156 aligned forecasts without company-specific fitting, providing one forecasting layer for integrated planning, liquidity, and working-capital analysis.

Transformers provide a powerful architecture for global content-based matching, but reasoning problems may benefit from a stronger inductive bias toward iterative traversal of latent relations. We introduce Graph Machine, an architecture with two explicit edge-based mechanisms: Edge-augmented attention, in which edges modulate attention between nodes, and edge-centric referral, in which nodes exchange addresses to update their edges. Conceptually, this enables the model to dynamically and differentiably construct and revise relational graphs across layers. We study this inductive bias using Sudoku under controlled settings and find that Graph Machine outperforms Transformer baselines, with ablation studies and mechanistic analysis attributing the gains to the edge mechanisms. Surprisingly, we found that the model discovers a compact edge-based construction for Sudoku geometry. Our results support explicit edge mechanisms as a promising architectural design, motivating broader evaluation.

Relational inductive biases are essential for capturing structural dependencies among data. This study investigates a dual-level relational framework for image classification, bridging the gap between implicit representation learning and explicit structural modelling. We begin by establishing a baseline using an EfficientNetB3 architecture. To move beyond standard convolutional biases, we adopt a patch-based strategy, employing a convolutional masked autoencoder to learn implicit inter-patch relationships through self-supervised reconstruction. We then extend this approach by incorporating explicit relational modelling, organizing the learned embeddings into various graph topologies, including grid-based, random, and k-nearest neighbour structures. Experimental results on the ISIC-2018 and ISIC-2019 skin lesion diagnosis benchmarks show that combining implicit inter-patch modelling with explicit graph-based message passing yields the best performance. On the ISIC-2018 test set, the baseline model achieves a balanced accuracy of 76.17%, which improves to 77.12% with implicit patch-based relational modelling. The fully integrated grid-structured Graph Attention Network further increases performance to 79.27%. Similarly, on ISIC-2019, the implicit approach reaches 59.84% balanced accuracy, while the combination of implicit and explicit modelling yields 60.67%.

Pretrained large language models (LLMs) have demonstrated in-context learning (ICL) capabilities for numerical inference over sequences serialized as text. Prior work has identified and characterized this form of numerical inference primarily through output-level evaluations such as prediction error. However, how numerical information is organized within LLM representations remains much less understood. To study this internal organization, we adopt a graph signal processing perspective in which attention induces a weighted graph over tokens, while token hidden states define signals on its nodes. Quantitative graph-spectral diagnostics and qualitative token-graph visualizations reveal that representations become more clearly differentiated by input dynamical complexity as context length increases. Simpler inputs produce attention-induced token graphs with stronger global connectivity and smoother, spectrally concentrated hidden-state signals, whereas more complex inputs produce more localized graphs and hidden-state signals with broader spectral support and greater high-frequency energy. Together, these findings point to systematic, context-dependent internal signatures associated with numerical ICL that are conserved across model families.

Graph attention normalizes neighborhood scores with softmax, the maximum-entropy choice under Shannon statistics. But homophilic and heterophilic graphs want different attention shapes, and one fixed normalization cannot serve both. We propose \textbf{LTGA} (\textbf{L}earnable \textbf{T}sallis \textbf{G}raph \textbf{A}ttention), a graph attention layer whose Tsallis entropic index $q$ is learned jointly with the weights, interpolating continuously between heavy-tailed ($q\!<\!1$), softmax ($q\!=\!1$) and compact-support ($q\!>\!1$) attention at four granularities from a global scalar to a per-edge index, under a bounded reparameterization that starts every model at the GAT baseline. Across eight benchmarks at ten seeds, LTGA-Edge takes the best average rank ($2.75$), but the omnibus test does not reject ($p\!=\!0.199$) and learning $q$ does not beat searching it: a validation-tuned frozen grid reaches $61.4\%$, tuned $α$-entmax $62.2\%$ and a capacity-matched $q\!\equiv\!1$ control $62.0\%$, against $61.7\%$ for LTGA-Edge. What the learned index buys is one run instead of a grid, and an interpretable mechanism: where $q$ leaves $1$, it prunes $42\%$ of attention coefficients to exactly zero, and those edges are selectively the wrong ones, restoring them costs $7.1$ points, while random pruning at the same rate costs $13.0$ more. Project page: https://kleyt0n.github.io/ltga

Integrating heterogeneous industrial knowledge, including factual relations and decision constraints, remains a core challenge in industrial information systems. Machining process planning exemplifies this problem because engineers must select operations by combining material properties, feature characteristics, and quality requirements. Existing methods rely mainly on similarity retrieval or classification, without a unified ranking objective or standardized evaluation. We propose PCA-GAT, which formulates machining process plan recommendation as a knowledge graph enhanced collaborative filtering problem. Bayesian Personalized Ranking provides the learning objective, while Recall@K and NDCG@K define evaluation. The knowledge graph supplies semantic structure when collaborative signals are sparse. Four domain constraints, material compatibility, precision requirements, feature applicability, and operation sequencing, are introduced as attention biases during graph propagation. Type-specific weights learn their importance, and an adaptive gate adjusts their influence using local context. On a real aerospace dataset with 115 parts and 507 plans, PCA-GAT achieves Recall@1 = 0.9087 and strong cold-start robustness, with about half the degradation of the strongest baseline under severe sparsity. Ablation studies show that knowledge graph enrichment is essential, constraints add value, and ungated constraint injection can hurt performance. The learned weights identify material-operation compatibility as the dominant factor, consistent with domain expertise. Results on three public benchmarks show no degradation when constraints are absent, supporting generalization beyond manufacturing. This study establishes a standardized recommendation protocol for engineering process planning and benchmarks seven methods across three categories, showing that knowledge representation is the main bottleneck.

Modern System-on-Chip (SoCs) often contain hundreds of millions to tens of billions of gates, making existing Hardware Trojan (HT) detection methods impractical due to their immense scale. The proposed approach incorporates symbolically enabled learning by modeling flattened gate-level netlists as Boolean networks represented as And-Inverter Graphs (AIGs), where all internal nodes are 2-input AND gates and inversions reside on the edges. Each directed connection is expressed as a triple within a Knowledge Graph Embedding (KGE) framework, producing compact, constant-size per-node representations that retain multi-hop structural context. The AIG's bounded fan-in and uniform semantics ensure training and inference complexity scale linearly with edge count, addressing major scalability bottlenecks in HT detection. Symbolically enabled learning across deep datapaths enables the model to differentiate circuit structures from rare and functionally inconsistent connections that signify potential Trojan triggers and payloads. Experiments on large-scale SoC benchmarks demonstrate clear geometric separation between Trojan and benign nodes and practical scalability.

We study an integrated pickup-and-delivery problem on sparse, non-Euclidean networks that jointly optimizes cyclic routing, cargo flow allocation, and cross-cycle service. The tight coupling of these operational constraints creates a complex discrete-continuous decision space with highly restricted feasible regions. To overcome these computational challenges, we propose Double-Channel Graph Attention (DCGA), an end-to-end reinforcement learning framework. DCGA isolates network reachability and demand-service logic into separate graph channels and constructs valid routes using a simulator-coupled, constraint-informed decoder. Experiments on LinerLib benchmarks demonstrate that DCGA achieves seconds-level inference and delivers state-of-the-art solution quality on instances beyond a specific scale, with its advantage over existing baselines widening significantly as problem size increases. Supported by extensive stability and ablation analyses, our results demonstrate that this structure-aware learning approach provides an effective, low-latency engine for realistic routing-and-flow optimization.

Stress is a dynamic process characterized by significant individual variability in facial expression. Traditional architectures, such as Recurrent Neural Networks (RNNs) and Convolutional Neural Networks (CNNs), often overlook person-specific baselines or lack the representational capacity to model the non-linear temporal progression of distress due to sequential bottlenecks and rigid grid-based constraints. Furthermore, many deep learning models lack the interpretability required for clinical deployment. This study introduces StressGAT, a Graph Attention Network that leverages the relational inductive bias of graph modeling to capture complex facial dynamics that indicate acute stress. By using Differential Action Units, the framework normalizes individual responses relative to neutral baselines to achieve personalized recognition. The proposed model achieves 88.62% accuracy on a diverse stress-induction cohort (58 participants) using a subject-independent, Leave-One-Subject-Out (LOSO) cross-validation protocol. Beyond predictive accuracy, the architecture integrates a Multiple Instance Learning (MIL) attention mechanism to identify peak stress intervals and reveal distinct expressivity phenotypes. By simultaneously optimizing for accuracy and interpretability, this framework provides a robust, explainable solution for personalized affective monitoring.

This paper explores Relative Positional Encoding (RPE) as an additive bias in Transformer architectures to solve the Team Orienteering Problem. By embedding in the attention mechanism pairwise spatial relationships among nodes of the graph that represents the routing problem, the transformer encoder can compute a richer spatial-aware graph embedding that allows the decoder to estimate better routes. Experimental results involving instances up to 100 nodes demonstrate consistent improvements in collected rewards and optimality gaps over vanilla Transformer architectures used by other state-of-the-art works. These findings highlight that explicit relational modeling significantly enhances scalability and generalization for complex combinatorial optimization.

Safe and socially compliant navigation in open human-robot environments requires robots to reason about heterogeneous participants with different dynamics, autonomy levels, and social roles. Existing trajectory prediction and planning methods often rely on homogeneous interaction assumptions or enforce only geometric collision constraints, making it difficult to jointly model asymmetric interactions, coupled prediction-planning, and soft social norms. This paper proposes SAGE, a socially-aware generative engine for heterogeneous multi-agent navigation. SAGE represents robots and surrounding entities as a directed heterogeneous graph and employs a Heterogeneous Graph Transformer (HGT) to encode type-specific asymmetric interactions. Conditioned on the resulting context, a diffusion-based generative module jointly models future entity trajectories and robot trajectory plans. During inference, a training-free safety-social energy guidance mechanism refines sampled robot trajectories using differentiable collision, kinematic, task-progress, and role-conditioned social-compliance terms. Extensive experiments on real-world (ETH/UCY and SDD) and synthetic datasets verify the effectiveness of SAGE in improving safety and social compliance while maintaining task performance. The proposed guidance mechanism consistently reduces collision and social-violation rates, scales to teams of up to 20 robots, and enables explicit control of the safety-accuracy-task trade-off without retraining. These findings demonstrate the potential of SAGE as a scalable framework for socially-aware multi-agent navigation in complex environments.

Single-task fine-tuning of graph neural networks (GNNs) for power grid problems exhibits a systematic failure mode: models that achieve the lowest in-distribution error degrade the most under topology shift. We term this topology overfitting: the tendency of task-specific gradient signals to encode relational structure particular to the training topologies rather than the underlying physics, causing models to fail on unseen grids despite strong in-distribution performance. To expose and address this failure mode, we introduce MxGPS (Multiplex GPS), a multiplex graph transformer that runs K task-specialised GPS branches over a shared node encoder, jointly trained on Static State Estimation (SSE) and AC Power Flow (PF) via a self-supervised pre-training and multi-task fine-tuning protocol, with a cross-branch attention module evaluated in ablation. The joint SSE+PF objective forces the shared encoder to simultaneously satisfy complementary gradient signals, preventing it from overfitting to topology-specific relational structure. Under a 3-fold sliding-window cross-validation spanning four unseen topologies (14-, 24-, 162-, and 300-bus), MxGPS attains 0% boundary violation rate (BVR) on all four zero-shot Power Flow topologies. Critically, models with substantially lower in-distribution PF error degrade by 190% to 1400% under topology shift, whereas MxGPS degrades by only 39%, an inversion that directly implicates topology overfitting as the failure mechanism rather than insufficient model capacity. With only 1.6M parameters (12x fewer than the GridFM reference baseline), MxGPS demonstrates that multi-task joint training is a principled and parameter-efficient mechanism for topology-agnostic generalisation in power grid foundation models.

Traffic forecasting is highly challenging due to complex and nonlinear spatial and temporal dependencies. Self-attention mechanisms have been widely adopted to model dynamic and long-range dependencies, achieving state-of-the-art performance, but suffer from limited scalability due to quadratic computational and memory complexity. To address this, we propose an Efficient Multi-Attention Graph Network (EMAGN) that linearises the spatial attention mechanism itself, inspired by the theory of fast high-dimensional Gaussian filtering. Two learned clustering matrices C_k and C_v adaptively group key and value vectors into M super-clusters, reducing complexity from O(N^2 d) to O(NMd) without sacrificing the flexibility of attention for dynamic dependency modelling. Experimental results on PEMS-BAY and METR-LA show that EMAGN achieves accuracy within 2.7-3.2% MAE of full-attention GMAN while reducing training time by 32%, inference time by 38%, and GPU memory by 58%. Critically, at K=16 attention heads, full-attention GMAN runs out of memory on a standard 11 GB GPU entirely while EMAGN continues to operate, demonstrating a categorical expansion of feasible model configurations. EMAGN also surpasses Linformer and Performer in both accuracy and efficiency within the same backbone, owing to its traffic-network-aware adaptive clustering.

Self-attention is a ubiquitous primitive in modern sequence models, yet its operator-level geometry is only partially understood. We view a token sequence as a vector field over the token-position graph and identify attention as a connection walk: messages are aggregated by a nonnegative walk matrix while being transported along each edge by a learned linear map. Within this framework, we prove that single-head attention (SHA) is exactly a connection propagation step with constant transport, and that multi-head attention (MHA) is exactly a single edge-dependent connection walk whose effective transport is an attention-gated mixture of headwise transports. We further clarify the conditions under which the corresponding generator reduces to a random-walk connection Laplacian, highlighting the roles of stochasticity, reversibility, and metric-compatible transports. Empirically, we find that trained Transformers across scales (from 124M to 8B) and structures (encoder/decoder) exhibit geometric structure consistent with our theory: effective attention graphs converge to stable geometric operators in deeper layers, learned transports self-organize into approximate scaled isometries, and both phenomena strengthen consistently with scale. Overall, the paper provides a precise connection-walk formalism that links self-attention to classical geometric operators, along with a set of operator-level tools for analyzing transformer models from a geometric perspective.

Brain field potentials are scale-free: their power spectra follow a $1/f^β$ law whose aperiodic exponent $β$ tracks cortical state, and sleep depth in particular is a shift in $β$. We ask whether a transformer endowed with an explicit renormalization-group (RG) inductive bias the RG-Flow Transformer, which couples ordinary self-attention to a scale-aware stream with a learnable anomalous dimension $γ$, block-spin coarse-graining, and an entropy-gated synchronization bridge has an advantage over a parameter-matched vanilla transformer on \emph{real, scarce} EEG. Using the PhysioNet Sleep-EDF corpus with a strict leakage-free by-subject hold-out, we (i) benchmark RG-Flow against a param-matched vanilla transformer and a hierarchy-only ablation on 5-class AASM sleep staging, (ii) sweep the per-subject data budget to look for the inductive-bias crossover predicted when data are scarce, and (iii) test whether RG-Flow's learned $γ$ tracks the measured spectral exponent $β$ out-of-sample a quantity the vanilla model does not possess. Across $5$ subjects and $5$ seeds under leave-one-subject-out cross-validation, RG-Flow and the vanilla transformer are statistically indistinguishable on 5-class staging (77.3% vs 77.0% accuracy; paired $p=0.294$), and the predicted scarce-data crossover does not appear: vanilla is numerically ahead at every data-limited budget. What does separate the models is interpretability RG-Flow recovers the continuous spectral exponent out-of-sample ($β$-recovery $R^2 = 0.416$), a capability the vanilla architecture has no analogue for.

Denoising graphs is a fundamental problem in graph learning and the core operation of graph diffusion models. Attention-based architectures like graph transformers have recently shown promise in denoising graphs. However, our principled understanding of attention-based graph denoising remains limited, making it unclear whether standard attention is the right mechanism for this task. Here we show that, under a denoising objective, linear attention is suboptimal and can only learn an average spectral denoising filter over the training distribution. This creates a fundamental limitation as graphs often vary spectrally across the distribution. To overcome this limitation, we introduce Spectral Attention, which directly utilizes the input graph spectrum and provably outperforms linear attention by a margin governed by the spectral diversity of the distribution. We then derive Graph Convolutional Attention (GCA), a practical and permutation-equivariant realization of this idea that implements spectral denoising through graph-filtered queries and keys. For stochastic block models, GCA provably matches the idealized Spectral Attention mechanism. We further show that the softmax operation, that follows the attention, provides additional denoising by approximately projecting noisy eigenvectors onto the clean eigenspace. Empirically, replacing linear attention with GCA consistently improves graph denoising and diffusion on synthetic and real datasets, with gains strongly correlated with spectral diversity. In DiGress, GCA matches standard graph-transformer performance without computing expensive structural features, and when combined with the recently proposed PEARL positional encodings, avoids explicit eigendecomposition computations resulting in faster inference without degrading quality. The code can be found here: github.com/shervinkhalafi/graph_conv_att

Transformers have become general-purpose architectures, but their all-to-all self-attention is poorly matched to graph data, whose interactions are sparse, structured and multi-scale. Existing Graph Transformers address this mismatch through structural encodings, hybrid message-passing modules or learned attention constraints, often introducing additional complexity and limited interpretability. Here we introduce X-LogSMask, an explainable multi-head logarithmic structural mask that injects symmetrically normalized graph topology directly into attention logits. The logarithmic transform converts structural connectivity into a topology-aware gating signal, suppressing unsupported node interactions while preserving feature-dependent attention. By assigning different powers of the normalized adjacency matrix to different attention heads, X-LogSMask gives each head a defined structural radius and supports multi-hop information propagation within a single layer. We further show that a standard Transformer encoder can be interpreted as one-step message passing on a complete graph, motivating X-LogSMask as a topology-constrained alternative to unrestricted self-attention. Across 20 node-, edge- and graph-level benchmarks, Transformers equipped with X-LogSMask achieve state-of-the-art performance on 13 datasets and remain competitive in a lightweight one-layer configuration. These results show that simple, interpretable structural masks can make self-attention an effective graph-learning operator without changing the Transformer architecture. The code is available at https://github.com/LiLeyan-0120/X-LogSMask.

Spontaneous speech is a vital non-invasive biomarker for Alzheimer's Disease (AD), yet many systems overlook non-linear structural disruptions and clinical heterogeneity in pathological language. We propose a Multi-View Gated Graph Attention Network that transcribes audio via Automatic Speech Recognition (ASR) to construct semantic, dependency, and co-occurrence graphs, characterizing speech through a "content-structure-flow" framework. Notably, the co-occurrence graph leverages Pointwise Mutual Information (PMI) from a normative corpus to quantify narrative logic and linguistic deviation. To address symptomatic diversity, an adaptive gated fusion mechanism dynamically integrates these views. Evaluated on the ADReSSo dataset, our model achieves 90.00% accuracy. Ablation results confirm that the PMI-based graph and heterogeneity-aware gating are essential for robust classification across diverse clinical populations. Our source code is publicly available at https://github.com/opeacc/AD.

This paper formulates frame-level freeway risk assessment as a multi-agent scene graph-level binary classification problem, where each video or trajectory frame is labeled risky if any TTC- or PET-based conflict violates a specified severity threshold. We construct a relation-aware graph per frame with vehicles as nodes and two interaction types as edges: same-lane (longitudinal) and adjacent-lane (lateral), augmented with physics-informed edge features aligned to rear-end and lane-change conflict mechanisms. Building on a structured benchmarking suite of non-graph models and graph baselines, we propose HIA-GAT, a dual-stream heterogeneous graph attention network that processes longitudinal and lateral interactions through dedicated attention pathways and fuses them via a conflict-type-aware gating mechanism with event-level gate supervision derived from SSM conflict attribution. Experiments on the NGSIM I-80 and US-101 freeway datasets across nine TTC and PET threshold configurations show that HIA-GAT achieves the best average risk-ranking performance (AUC 0.835 on I-80 and 0.867 on US-101), with the largest gains on PET-only (lane-change) settings where relational structure is essential. Beyond accuracy, the learned gate provides interpretable per-vehicle attribution of dominant conflict type, supporting actionable, real-time freeway safety monitoring. We show that graph structure is critical for modeling lateral conflict risk, while longitudinal risk can often be captured by non-relational aggregation.

Positional encodings (PEs) are essential for Transformers. Yet designing effective PEs for non-Euclidean graphs remains challenging. Such encodings should ideally induce an Attention-Compatible Geometry for self-attention: not merely describing graph structure, but defining a geometry whose inner products reflect meaningful structural relatedness. To realize this geometry, we propose Communicability-Inspired Positional Encoding (CIPE), built from communicability, a measure between pairs of nodes that aggregates contributions from paths of all lengths. By construction, CIPE inner products recover communicability, converting global multi-path connectivity into an attention-ready similarity geometry. For practical Transformer training, we introduce dimensionality alignment, mapping graph-size-dependent CIPE representations to prescribed dimensions while faithfully preserving the induced geometry. Empirically, CIPE improves structure-agnostic Transformers by 35.5% on average across seven benchmarks, outperforming representative PEs; it also consistently improves structure-biased graph Transformers, where competing PEs often yield only marginal benefits. These results position CIPE as a principled framework for attention-compatible graph positional encodings.

Unmanned aerial vehicles (UAVs) are increasingly employed in urban inspection tasks, where reliable communication is critical but challenging due to the severe spatial channel heterogeneity. To address the issue, in this paper, we focus on the communication-aware path planning for multi-UAV tasks, and propose a channel knowledge map (CKM)-driven trajectory planning framework which integrates the channel modeling and trajectory decision-making. Specifically, we apply the diffusion model to construct a time-accumulated CKM and achieve the accurate perception with low flight overhead, which leverages the sparse observation data to reconstruct the high-fidelity global channel quality distribution. Based on the CKM, we propose a global-to-local graph attention network soft actor-critic algorithm. The graph attention network optimizes the complex combinatorial node ordering problem, generating an optimal and communication-aware sequence for the inspection targets. Subsequently, the soft actor-critic algorithm performs continuous action control to ensure the smoothness of the flight path and dynamically avoid communication attenuation areas. Simulation results demonstrate that the proposed method effectively guides UAVs through high-quality channel regions without dependence on real-time channel feedback, significantly improving both the trajectory efficiency and communication reliability.

Charged-particle tracking -- reconstructing trajectories from sparse detector measurements -- is a fundamental high-energy-physics inference problem and a canonical example of learning under extreme combinatorial ambiguity. At the High-Luminosity Large Hadron Collider (HL-LHC), tracking must remain accurate and efficient despite unprecedented collision densities. Graph neural networks perform strongly, but incur substantial costs from graph construction and processing, while transformer-based approaches rely on auxiliary stages that prevent end-to-end optimization. To address this, we present HEPTv2, an end-to-end point-transformer architecture that reconstructs tracks from detector hits in one trainable pipeline. HEPTv2 combines a locality-aware point encoder with a track decoder that predicts complete trajectories without graph-building, clustering, or filtering. The encoder uses locality-sensitive hashing in detector coordinate space to preserve tracking-relevant geometry while enabling efficient local attention. The decoder resolves ambiguities through sectorized decoding and direct hit-to-track prediction under joint encoder-decoder supervision, allowing the full pipeline to be optimized end-to-end. On TrackML, HEPTv2 achieves 98.6% double-majority tracking efficiency at a 0.8% fake rate, while requiring only $\sim$15ms inference time and 0.4GB peak memory per event on a NVIDIA A100 GPU. Latency and memory scale approximately linearly for events with up to $5\times10^5$ hits. HEPTv2 establishes a new state of the art in the accuracy-latency trade-off, improving efficiency by 4.5% over the strongest prior transformer and by 1.1--2.2% over optimized graph-based pipelines, while reducing latency by factors of 7 and 38--52, respectively. These results show end-to-end transformers can deliver the accuracy and efficiency required for real-time particle reconstruction at the HL-LHC.

Graph neural networks (GNNs) offer a flexible framework for learning from scientific data with physical, biological, or functional associations. One promising domain is plant physiology, where observed responses result from several interacting processes that are difficult to isolate, even with human intervention. A key example is the A-Ci curve, which relates the net CO2 assimilation rate (Anet) to leaf intercellular CO2 concentration (Ci) and is also used to estimate photosynthetic parameters in biophysical models. However, accurate estimation requires accurate identification of the active biochemical limiting state at each curve point, which is a major source of uncertainty. Here, we express the limitation-state identification in A-Ci curves as a graph-based node classification problem. A graph representation of the A-Ci curve is created using distance-based k-nearest-neighbor (kNN) and auxiliary-signal-guided (ASG) connectivity. The methodology was evaluated against the conventional machine learning baselines, graph-based architectures, and an automated fitting-based benchmark. Results on a large synthetic dataset with known ground-truth limitation states show that graph-based models improve classification, especially near biochemical transition areas. The top-performing configuration, SEAGAN (domain-Specific and Edge-Aware Graph Attention Network for Dynamic Plant Processes), integrates process-aware node features, edge attributes, kNN connectivity, and graph attention with a weighted cross-entropy loss, obtaining an F1-score of 0.857 and accuracy of 0.882. The results suggest that using A-Ci curves as graphs enables better identification of the biochemical limiting condition and reduces the uncertainty associated with both human and automated methods.

Structurally constrained event sequence generation remains challenging because generated paths must preserve transition feasibility, temporal order, termination, and attribute consistency. In predictive process monitoring (PPM), this challenge appears as full event sequence generation, whereas existing work mainly addresses component tasks such as next activity, remaining time, outcome, and attribute prediction. This paper proposes the Graph Grounded Cross Attention Transformer Neural Network (GGATN) for this unified PPM task. GGATN uses a global process graph as structured activity memory, contextualizes sequence positions through Transformer self attention, and injects process topology through graph grounded cross attention. Unlike autoregressive decoding, GGATN generates activities, timestamps, length, and event level and sequence level attributes in a single pass, followed by Viterbi style graph constrained decoding for feasible paths and explicit termination. Experiments on six benchmark event logs show more reliable generation quality than local instruction prompted LLM baselines. GGATN achieves strong performance on sequence similarity, Damerau Levenshtein similarity, bigram based control flow similarity, and duration distribution, while maintaining zero hallucinated activities and zero sequence level attribute inconsistency. Ablation analyses confirm the global graph encoder as a stable structural prior. Interpretability analyses show how graph structure, sequence context, feedback refinement, and constrained decoding shape generation.

Large Language Models (LLMs) have shown promise for reasoning over Text-Attributed Graphs (TAGs). However, applying LLMs to graphs requires linearizing their structure into sequences, introducing distortion rooted in the graph bandwidth problem. While this distortion has been shown to degrade performance, it is often attributed to prompt design or model scale, leaving the underlying mechanism unclear. In this work, we show \textit{how} rotary positional embeddings turn graph linearization into bandwidth-dependent attention decay, suppressing attention between graph-adjacent nodes that are forced far apart in the serialized sequence. This shifts the focus of LLM-based graph reasoning from prompt engineering and scaling toward correcting attention misalignment. Motivated by this analysis, we propose \textbf{G}raph-\textbf{a}ligned \textbf{L}anguage \textbf{A}ttention (\textbf{GaLA}), a lightweight, inference-time modification for LLMs. GaLA biases attention toward graph-adjacent nodes while preserving the LLM's sequential inductive biases. Across TAG benchmarks, GaLA improves performance with negligible overhead, demonstrating that distortion is a correctable bottleneck in LLM-based graph reasoning.

Transformer architectures have dramatically advanced representation learning and inference in deep models through self-attention mechanisms. In parallel,associative memory (AM) frameworks map representations onto energy landscapes, offering interpretable retrieval mechanisms. However, their continuous-time inference dynamics lack the biological plausibility of classical Continuous Attractor Neural Networks (CANNs). To bridge this gap, we propose Controlled Dynamics Attractor Transformer (CDAT), which couples a mixture von Mises-Fisher (Mo-vMF) attention energy with a Hopfield refinement energy, while augmenting energy descent with a CANN-inspired excitation-inhibition modulation. CDAT instantiates a topology-constrained dynamical system whose couplings encode relational structure among tokens, thereby linking attractor-style dynamics to modern energy-based attention. We further provide a constructive dissipation analysis to formally establish their controlled inference dynamics. Benefiting from these robust and structured dynamics, CDAT achieves state-of-the-art performance across multiple benchmarks in graph anomaly detection and graph classification.

Building patient-specific cardiac models sits at the heart of precision cardiology, yet getting those models into clinical use keeps running into the same wall: mesh generation is slow, messy, and frustrating. The standard workflow -- segmenting the image, running Marching Cubes, and then manually cleaning up the result -- is time-consuming, inconsistent across operators, and demands specialist knowledge most clinical teams do not have. We take a fundamentally different approach. Instead of treating segmentation and mesh generation as two separate problems, we train a single end-to-end network that goes directly from a raw 3D medical image to a smooth, simulation-ready cardiac surface mesh. The core is a 3D Swin Transformer encoder-decoder that extracts volumetric features from CT or MRI volumes, paired with a Graph Attention Network (GAT) head that iteratively deforms a template mesh to fit the patient's cardiac boundary. We tested on the MM-WHS 2017 benchmark using both CT and MRI. Segmentation scores were competitive (Dice of 0.84 on CT, 0.83 on MRI), but the primary focus is mesh quality: mean Chamfer distance of 1.8 mm, with 95th-percentile surface distance below 5 mm. Every mesh is produced in a single forward pass -- no Marching Cubes, no smoothing filters, no manual cleanup. We argue that for cardiac digital twin pipelines, geometric fidelity and topological correctness matter more than pixel-level Dice scores. By removing the post-processing bottleneck, this approach makes patient-specific cardiac simulation substantially more accessible for clinical use.

This paper presents a unified system designed to support precision agriculture by integrating advanced weather prediction, crop recommendation, and a question-answering tool for farmers. We propose two deep learning models -- a Transformer-based Graph Neural Network and a Spatio-Temporal Graph Convolutional Network (STGCN) -- to forecast weather conditions for the next 30 days using data from 1,359 locations in Nepal. The STGCN outperforms the Transformer-based model in accuracy (MSE ~0.011 vs. 0.013), effectively modeling both spatial and temporal dependencies in climate data. These predictions are combined with static soil properties such as pH, moisture, and organic content to generate localized crop recommendations through a scoring algorithm that matches each crop's optimal growing conditions. Additionally, we develop a Retrieval-Augmented Generation (RAG) chatbot that leverages domain-specific agricultural documents to answer farmers' questions in natural language. The entire system is deployed via a mobile application, offering real-time suggestions and conversational support. User feedback confirms the system's usability and relevance, especially in rural settings where personalized farming guidance is limited. Overall, our approach demonstrates how combining machine learning models with local agricultural data can empower farmers with actionable insights, promoting more informed decisions, better crop yields, and increased resilience to climate variability.

Per-ticker forecasting models dominate financial time-series work yet remain blind to cross-company propagation: a foundry disruption in Taiwan does not register in a single-asset model until Apple's own price has already moved. To address this limitation, we introduce a heterogeneous Rust-Python streaming architecture that maps cross-company attention as a continuous-time graph driven directly from text. We show that on the ingestion side, a zero-copy Rust edge parses news records in $\sim$100 ns and scans the target equity universe in $\sim$1.2 $μ$s. On the inference end, a multivariate Neural Hawkes Process featuring per-node continuous-time LSTM states and a bilinear latent projection propagates directed excitation, while an adaptive pruning rule bounds the computational cost of dynamic neighborhood updates. Combining these stages, we demonstrate an end-to-end processing latency of $\sim$13 ms per incoming news record on a single commodity CPU. Evaluated on a one-month temporal holdout of the FNSPID corpus (638 articles across 47 tickers), the system delivers a $1.70\times$ precision lift over random at the 90th-percentile next-day return threshold, and $3.36\times$ over a same-sector baseline. Crucially, removing the graph topology collapses precision to zero, confirming that the dynamic attention network is the sole driver of cross-company signal in this architecture.

Post-training quantization (PTQ) is critical for the efficient deployment of large language models (LLMs). Recent ultra-low-bit PTQ methods rely on rigid weight-saliency assumptions or position heuristics, introducing substantial hidden scaling overhead. We propose SAGE-PTQ (Saliency-Aware Graph-guided Efficient PTQ), a novel ultra-low-bit quantization framework for LLMs that minimizes hidden scaling cost. SAGE-PTQ separates salient and unsalient weights using distributional statistics, then models subsampled unsalient weights as a sparse graph to estimate the optimal number of groups per layer. SAGE-PTQ applies dual-mode quantization, assigning multi-bit precision to salient weights and binarizing unsalient weights. To reduce scaling overhead, SAGE-PTQ uses one per-channel scale for salient weights and one scalar per unsalient group. Finally, SAGE-PTQ implements adaptive saliency thresholding to select the optimal saliency ratio per matrix. SAGE-PTQ achieves 1.03 weight bits and only 0.004 scaling bits per matrix on average, outperforming state-of-the-art methods such as BiLLM and PB-LLM. On LLaMA-3-8B, SAGE-PTQ achieves 6.74 WikiText2 perplexity, compared to 55.8 for BiLLM, while using less than 50% of BiLLM's GPU memory. On LLaMA-2-70B, SAGE-PTQ provides 1.5x faster decoding on one NVIDIA L40 GPU, demonstrating practical inference efficiency.

We introduce the Graph Set Transformer (GST), a neural network architecture for learning on sets of graphs, designed for tasks in which per-element predictions depend on set-wide context as well as local structure. Existing architectures, including DeepSets and SetTransformer, require pre-encoded graph embeddings from a separate GNN, creating a bottleneck between feature extraction and set-level contextualisation. In contrast, GST interleaves node-level feature propagation and cross-graph contextual modelling at every layer, fusing the two levels of information through a gating mechanism. We evaluate GST on a controlled synthetic suite designed to isolate set-conditional structural reasoning and on three real-data benchmarks spanning per-atom reaction-centre identification, reaction yield prediction, and image classification. Under matched parameter budgets, GST performs better than the baselines across these settings. An architectural ablation strongly suggests that the interleaving of local and set context contributes substantially to this advantage.

Graph-based deep learning methods have been widely employed in encrypted traffic analysis to exploit latent correlations across different granularities. However, while complex preprocessing pipelines and sophisticated model structures often achieve strong performance, they may obscure inherent protocol semantics during representation learning. Moreover, the hierarchical structure of protocol layers and their corresponding fields, defined by protocol specifications and routinely utilized in manual traffic analysis, remains underexplored in existing learning frameworks. In this paper, we propose Protocol Tree Graph Attention with Mixture of Experts (PTGAMoE), a semantic-preserving hierarchical graph-based expert framework for encrypted traffic analysis. The field-based graph construction and expert committee design enable PTGAMoE to quantify the model's preferences for specific fields and protocols. Extensive experimental results on representative benchmark datasets under strict no-data-leakage settings demonstrate that PTGAMoE significantly outperforms state-of-the-art (SOTA) models. Furthermore, the semantic-preserving design provides interpretable insights into protocol-level feature importance and expert-level contributions, reflecting the model's decision-making logic in encrypted traffic classification tasks.

Relational databases underpin modern enterprise, scientific, and healthcare systems, yet predictive machine learning on such data remains challenging due to their multi-table, heterogeneous, and temporal structure. Relational Deep Learning (RDL) addresses this by representing databases as heterogeneous graphs and applying graph neural networks (GNNs) directly. RelBench v2 recently introduced autocomplete tasks -- a practically motivated task type where the goal is to predict an existing column value from relational context, analogous to an intelligent form-filling assistant. We propose RelGT-AC (Relational Graph Transformer for Autocomplete), extending the RelGT architecture with three targeted contributions: (1) a column masking strategy that prevents trivial solutions by masking the target column during subgraph encoding; (2) a unified task head supporting binary classification, multiclass classification, and regression autocomplete tasks within a single model; and (3) a TF-IDF text encoder that automatically detects and encodes free-text columns, recovering strong lexical signal that categorical encoders discard. Across 7 tasks spanning 3 RelBench v2 datasets (rel-trial, rel-f1, rel-stack), RelGT-AC outperforms the GraphSAGE baseline on all 3 regression autocomplete tasks and achieves up to +10 AUROC points on text-heavy eligibility tasks via the TF-IDF encoder.

Architecture diagrams are ubiquitous in deep learning, but they are usually only representational: the tensor-program identities they suggest are still proved by prose and tensor-axis manipulation. We introduce a formal graphical calculus for the structural fragment of tensor programming underlying einops, making such diagrams proof-enabling. Our calculus represents tensor axes as nested graded tubes around a base type. The tube boundary recovers the undirected tensor-network view of axes, while the directed interior retains the operational reading of computation graphs. The key rewrite is grade-naturality: sliding spectacles over tubes. Standard equivariance proofs become short diagrammatic derivations. We additionally demonstrate how our rewrite system may be applied to convert attention masks into pre-processing operations, recovering efficient implementations of sparse attention blocks.

Relational reasoning lies at the heart of intelligence, but existing benchmarks are typically confined to formats such as grids or text. We introduce GraphARC, a benchmark for abstract reasoning on graph-structured data. GraphARC generalizes the few-shot transformation learning paradigm of the Abstraction and Reasoning Corpus (ARC). Each task requires inferring a transformation rule from a few input-output pairs and applying it to a new test graph, covering local, global, and hierarchical graph transformations. Unlike grid-based ARC, GraphARC instances can be generated at scale across diverse graph families and sizes, enabling systematic evaluation of generalization abilities. We evaluate state-of-the-art language models on GraphARC and observe clear limitations. Models can answer questions about graph properties but often fail to solve the full graph transformation task, revealing a comprehension-execution gap. Performance further degrades on larger instances, exposing scaling barriers. More broadly, by combining aspects of node classification, link prediction, and graph generation within a single framework, GraphARC provides a promising testbed for future graph foundation models.

Graph attention networks learn neighbor importance through data-dependent coefficients, but standard layers lack explicit control over unreliable feature dimensions and use fixed sharpness of attention coefficient distributions. This paper proposes gated graph attention and learnable temperature for common graph attention mechanisms. Gated graph attention filters feature or message responses to reduce the influence of unreliable dimensions, while learnable temperature dynamically adjusts the sharpness of the attention coefficient distribution. Experiments on homogeneous and heterophilic heterogeneous benchmarks show that the proposed variants consistently improve the corresponding graph attention backbones, and controlled noise studies further verify their behavior under feature perturbations. Theoretical analysis explains these results by showing that gating improves robustness when only part of the feature coordinates are reliable, while temperature is beneficial when global noise weakens the discriminability of node features.

Deep learning over relational databases is conventionally realized by translating data into graph representations and applying graph-based neural networks within external frameworks. This round-trip between the database and external machine learning (ML) systems introduces non-trivial engineering overhead. In effect, these graph neural networks operate on tuple embeddings and manipulate them in ways that capture the interactions induced by relational joins. Given this natural correspondence, there is no fundamental reason why specifying a neural network over relational data should be substantially harder than querying it. We propose an approach that naturally integrates deep learning with database queries. The key idea is to associate each tuple with provenance, represented as a vector embedding with learnable parameters. Queries are lifted to operate jointly on data and embeddings, mapping input relations with embedded tuples to output relations with embedded tuples. This approach provides a declarative foundation for relational deep learning, facilitating integration with database systems, optimization, and wide adoption. We describe RelaNN, a proof-of-concept implementation of this approach built on top of PyTorch and cuDF. We illustrate the utility of RelaNN by implementing various graph-learning models, including graph convolutional networks, heterogeneous graph transformers, hypergraph neural networks and deep homomorphism networks. The simplicity of the programs and their competitive runtime performance demonstrate a concrete path toward making the implementation of state-of-the-art neural networks over databases as simple as writing a query.

Deep learning has brought significant progress to medical image classification, yet most existing methods still rely on isolated visual evidence and cannot effectively leverage similar cases or external knowledge. In clinical practice, diagnosis is typically supported by similar historical cases and their associated symptoms. To explicitly model this evidence-based diagnostic process, we propose a case-aware reasoning framework driven by multimodal knowledge graphs for medical image classification. Specifically, we construct a case-aware multimodal knowledge graph as a structured diagnostic memory, where diseases, images, and symptoms are hierarchically organized. Given an input image, our method adaptively retrieves similar cases from this memory and extracts their corresponding case-centered subgraphs. We further introduce a knowledge propagation and injection mechanism, in which an image-centric Graph Attention Network aggregates heterogeneous semantics into case-based features, followed by a bidirectional cross-modal attention mechanism that injects these features into visual representations for cross-modal alignment. To mitigate noisy retrieval, we design a confidence-calibrated decision refinement scheme that estimates the reliability of each retrieved case by jointly considering prediction confidence and sample similarity, and reweights its contribution to the final prediction, providing interpretable case-level evidence. Extensive experiments on multiple medical imaging datasets demonstrate that our approach consistently outperforms strong baselines, while ablation and qualitative analyses validate its effectiveness and interpretability. The code is available at https://anonymous.4open.science/r/MKG-CARE-8B7B.

Precise measurement of the kinematic Sunyaev-Zel'dovich (kSZ) effect - a probe of the large-scale distribution of baryonic matter, a key observable for cosmological inference - requires accurate reconstruction of galaxy velocities from spectroscopic surveys. The signal-to-noise ratio (SNR) of kSZ measurements scales directly with the correlation coefficient $r$ between reconstructed and true velocities. We introduce Velocityformer, an equivariant graph transformer architecture designed to match the specific symmetry of the observational data. While the underlying physics is equivariant with respect to translations and rotations, observational effects break this symmetry due to the preferred line-of-sight direction. Matching the model's inductive bias to the data's broken symmetry consistently improves performance across all model sizes and training volumes, with Velocityformer improving $r$ by 35% over the standard linear theory baseline and outperforming ML baselines at every data volume. By matching the model's inductive bias to the data and conditioning on the physics-based long-wavelength solution, Velocityformer is highly data-efficient, training to high accuracy on as few as 4 low-fidelity simulations, and generalises zero-shot across input geometry, cosmological parameters, and galaxy sample. On high-fidelity simulated galaxy catalogues, this yields a 30% improvement in $r$ over the physical baseline, directly translating to the same SNR gain on observational data.

Predicting protein-ligand binding affinity remains intractable for multi-domain proteins, where inter-domain dynamics govern molecular recognition. Existing geometric deep learning methods typically treat proteins as monolithic static graphs, suffering from rigid-body assumptions and aleatoric noise in flexible regions. To address this, we introduced HCLBind, a self-supervised framework that decouples geometric representation learning from affinity regression. HCLBind leverages a general-to-specific pre-training paradigm on the Q-BioLiP database to learn a robust physical grammar of binding. We propose a novel hierarchical decoy strategy: the model learns local physicochemical constraints through protein coordinate perturbation in single-domain proteins and global conformational geometry through inter-domain rotation in multi-domain complexes. Our hybrid architecture integrates a domain-gated graph attention network and cross-modal attention to explicitly prioritize domain interfaces. Furthermore, we employ LoRA on protein and ligand foundation models, ensuring efficient optimization while preserving evolutionary knowledge. Experiments on PDBBind demonstrate that HCLBind effectively learns discriminative interface features and provides robust uncertainty estimation, overcoming the limitations of standard supervised learning. The code is available at https://github.com/jiankliu/HCLBind.

We introduce Graph-Augmented Sequence-to-Sequence (GA-S2S), a novel framework that integrates a T5-small encoder-decoder with a Relational Graph Attention Network (RGAT) to improve link prediction in knowledge graphs. While existing Seq2Seq models rely solely on surface-level textual descriptions of entities and relations and at best, flatten the neighborhoods of a query entity into a single linear sequence, thereby discarding the inherent graph structure, GA-S2S jointly encodes both textual features and the full $k$-hop subgraph topology surrounding the query entity. By integrating raw encoder outputs with RGAT's relation-aware embeddings, our model captures and leverages richer multi-hop relational patterns and textual information. Our preliminary experiments on the CoDEx dataset demonstrate that GA-S2S outperforms competitive Seq2Seq-based baseline models, achieving up to a 19% relative gain in link prediction accuracy.

We study the approximation of nonlinear operators between function spaces by transformers. Our approach is to lift functions to measures supported on their graphs and leverage a recently introduced measure-theoretic view of transformers. A function $h$ is represented by its graph measure $γ_h$, with finite tokens $\{(x_j,h(x_j))\}_{j=1}^N$ being its empirical approximations. We show that this framework elegantly models discretization refinement via convergence of measures and provides a natural setting for operator learning. Within this framework, we introduce function graph transformers, a graph-preserving subclass of measure-theoretic transformers that maps graph measures to graph measures, which is to say that outputs remain single-valued functions. Crucially, this additional structure does not reduce generality: we prove that the resulting graph-preserving maps can be approximated by finite compositions of standard softmax self-attention layers and pointwise MLPs, yielding universal approximation results for broad classes of nonlinear operators. Unlike existing theoretical approaches to operator learning with transformers, the measure-theoretic framework also accommodates regularized negative-order Sobolev inputs for which discretization invariance is particularly challenging, as well as query points on different output domains. Overall, function graph transformers provide a continuum viewpoint and mathematical toolkit for transformer-based operator learning, clarifying the roles of positional encodings, graph structure, regularization, and ensuring consistency across discretizations.

The U.S. financial system processes approximately 1.3 million interbank transactions daily, yet no system in the reviewed literature models fraud propagation across the interbank network using fraud co-occurrence edge features. Prior interbank GNN architectures model credit contagion using credit distress supervision signals, producing systems misaligned for fraud forensics. No existing system generates SAR narratives with per-assertion forensic traceability to specific numerical detection outputs, creating regulatory auditability gaps in FinCEN-submitted reports. This paper introduces SCAFDS (Systemic Contagion-Aware Fraud Detection System), a seven-stage integrated surveillance pipeline addressing five structural limitations of prior art: (1) fraud-specific interbank topology encoding using fraud co-occurrence frequency metrics f(u,v,t) derived from FinCEN SAR registry records; (2) edge-feature-informed graph attention where coefficients are computed from both node representations and fraud co-occurrence edge features; (3) bilinear fraud co-occurrence risk fusion producing institution-level systemic fraud risk scores; (4) attribution-conditioned SAR narrative generation with per-assertion significance thresholds ensuring each FinCEN SAR assertion is traceable to a specific numerical pipeline output; and (5) topology-aware adaptive forensic feedback updating graph attention weights from regulatory dispositions. Experiments on the IEEE-CIS Fraud Detection Dataset (590,540 transactions) and a synthetic FDIC-aligned interbank network (8,103 institutions, 169,800 edges) show SCAFDS achieves AUPRC=0.515+/-0.032 and AUROC=0.802+/-0.018, representing +15.9pp and +13.7pp improvements over GraphSAGE-AML. Partial validation on FDIC enforcement action records (n=4,279) confirms consistent model ranking. USPTO Provisional Patent Application No. 64/061,083, filed May 8, 2026.

Traffic forecasting is a significant part of intelligent transportation systems. One of the critical challenges of traffic forecasting is to find spatio-temporal correlations. In recent years, graph convolutional networks and graph attention networks have replaced traditional statistical models to predict future traffic. However, it is complicated for both of them to allow vertices to have far different characters. To address this, we propose the Global-Local Graph Attention Network (GLGAT) with pairwise encoding and the event-based adjacency matrix. The GLGAT allows vertices to have a global attention matrix set for the whole graph and assigns local attention matrix sets to each vertex. Experiments on two real-world traffic datasets show that GLGAT can effectively capture spatio-temporal correlations and has competitive performance against other state-of-the-art baselines.

Relational graph learning models relational databases as graphs and has demonstrated superior performance on a wide range of relational predictive tasks. However, existing methods struggle to capture long-range dependencies due to information decay in their message-passing mechanisms, and recent relational graph transformers remain limited in jointly modeling structural, semantic, and temporal information. In this paper, we propose GelGT, a Gaussian relational graph transformer that explicitly addresses these challenges. GelGT introduces a structure-semantic collaborative sampling strategy to preserve structural connectivity while filtering irrelevant semantic information, and incorporates a Gaussian graph attention mechanism with a learnable Gaussian bias on the sampled subgraphs to dynamically encode temporal dependencies. Extensive experiments on various real-world datasets demonstrate that GelGT achieves state-of-the-art downstream task performance, with up to a 13.8% improvement in predictive performance.

Graph convolutional networks (GCNs) are widely used for 3D hand pose estimation, where the hand skeleton is encoded as a fixed adjacency graph. We revisit whether this is the most effective way to incorporate hand topology in 2D-to-3D lifting. In this paper, we perform controlled, parameter-matched ablations on the FPHA benchmark and show that standard multi-head self-attention consistently outperforms GCN baselines. Even when the GCN is strengthened with multi-hop adjacency and matched parameter count, self-attention reduces MPJPE from 12.36 mm to 10.09 mm. A skeleton-constrained graph attention network recovers most of this gap, indicating that input-dependent aggregation is a major source of improvement, while fully connected attention yields additional gains. We further show that hand topology is most effective when introduced as a soft structural prior through graph-distance positional encoding, rather than as a hard adjacency constraint. These results suggest that, for hand pose lifting, adaptive spatial attention is a more effective inductive bias than fixed graph convolution.

Automated analysis of building facades from street-level imagery has great potential for urban analytics, energy assessment, and emergency planning. However, it requires reasoning over spatially arranged elements rather than solely isolated detections. In this work, we model each facade as a graph over window/door detections with a vertical prior on edges. Additionally, we introduce GATA2Floor, a multi-head Graph Attention v2 (GATv2) based model that predicts the global floor count of a building and, via learnable cross-attention queries, softly assigns elements to latent floor slots, yielding interpretable outputs and robustness to irregular designs. To mitigate the lack of labeled datasets, we demonstrate that the proposed graph-based reasoning can be applied without annotations by leveraging a lightweight label-free proposal mechanism based on self-supervised features and vision-language scoring. Our approach demonstrates the value of graph-attention-based relational reasoning for facade understanding.

Pre-trained language models advance patent classification and retrieval by encoding claims as flat token sequences, but they overlook the dependency hierarchy among claims. Incorporating this hierarchy into self-attention poses two challenges. First, claim dependencies include relation types with different levels of reliability, so treating them uniformly may allow noisy technical relations to interfere with more reliable legal citations. Second, claim dependencies are defined at the claim level, whereas Transformer attention operates over tokens, making direct structural injection nontrivial. We propose the Patent Heterogeneous Attention-Guided Graph Encoder (PHAGE), which constructs a typed claim graph that distinguishes legal citations from technical relations. PHAGE projects this claim-level topology into token-level attention through a connectivity mask and learnable relation-aware biases, and fine-tunes the encoder using a dual-granularity contrastive objective that combines inter-patent taxonomy with intra-patent topology. At inference, the graph-specific attention components are removed, allowing representations to be generated through a standard encoder forward pass without CDG construction. Experiments on patent classification, retrieval, and clustering show that PHAGE consistently outperforms domain-adapted and citation-aware baselines, demonstrating the value of claim-level structural guidance for graph-free patent representation learning.

Graph Neural Networks (GNNs) excel at relational reasoning but face two persistent challenges: the lack of interpretable attribution for heterogeneous node types, and the computational overhead of message passing over large, noisy graphs. We propose the Hierarchical Attention-based Heterogeneous GNN (HA-HeteroGNN), a framework that addresses both issues through a unied explainability-to-pruning pipeline. A two-tier attention mechanism separates sensor-level and context-level computation across 16 node types and 18 edge types, producing per-node relevance scores via an attention-based GNN Explainer without requiring gradient backpropagation. These relevance scores then serve as a principled pruning criterion: removing nodes identied as consistently uninformative yields a 27% reduction in graph edges while simultaneously improving classication accuracy by 2.46.1% across all model variants, challenging the conventional assumption that pruning necessarily trades accuracy for eciency. Experiments on a 50,000-record synthetic dataset spanning 11 report categories demonstrate 97.5% cross-strategy explanation stability and domain consistent sensor attribution, with training-time reductions of up to 43.9% and real-time inference latency of approximately 5860 ms per sample.

Accurate and efficient storm-surge emulation is essential for coastal hazard assessment, yet high-fidelity hydrodynamic models remain too expensive for large scenario ensembles and rapid evaluation under heterogeneous climate forcings. We present PACT, a peak-aware cross-attention graph transformer for efficient station-level storm-surge prediction from atmospheric forcing fields. PACT represents each forcing patch as a graph, encodes spatial structure with GraphSAGE, and uses a learned station query to aggregate node information through cross-attention rather than uniform pooling. A Transformer encoder models temporal dependence across the forcing history, and a horizon-query decoder generates lead-specific forecasts from a shared temporal memory. To better capture extreme events, we introduce a peak-aware learning strategy that couples a lightweight auxiliary peak-aware head with a tailored training objective, including a tail-focused loss on peak-dominated samples and a horizon-wise slope regularizer to encourage coherent multi-step evolution. Across multiple tide-gauge stations along the US Northeast coast, PACT outperforms a strong spatio-temporal graph neural network baseline in both RMSE and MAE. Diagnostics show improved peak fidelity and tail preservation for reanalysis and most CMIP6 datasets. PACT is also computationally efficient, requiring about 3.5~s to generate a full winter-season surge trajectory for one year after training. Under distribution shift across five CMIP6 forcings, PACT transfers well within the CMIP6 family but degrades markedly when transferring from reanalysis to climate-model forcings, highlighting a persistent reanalysis--GCM gap.

Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of natural language processing and computer vision, is introduced to GNNs to adaptively select the discriminative features and automatically filter the noisy information. To the best of our knowledge, due to the fast-paced advances in this domain, a systematic overview of attention-based GNNs is still missing. To fill this gap, this paper aims to provide a comprehensive survey on recent advances in attention-based GNNs. Firstly, we propose a novel two-level taxonomy for attention-based GNNs from the perspective of development history and architectural perspectives. Specifically, the upper level reveals the three developmental stages of attention-based GNNs, including graph recurrent attention networks, graph attention networks, and graph transformers. The lower level focuses on various typical architectures of each stage. Secondly, we review these attention-based methods following the proposed taxonomy in detail and summarize the advantages and disadvantages of various models. A model characteristics table is also provided for a more comprehensive comparison. Thirdly, we share our thoughts on some open issues and future directions of attention-based GNNs. We hope this survey will provide researchers with an up-to-date reference regarding applications of attention-based GNNs. In addition, to cope with the rapid development in this field, we intend to share the relevant latest papers as an open resource at https://github.com/sunxiaobei/awesome-attention-based-gnns.

Identifying vulnerable transmission lines in power grids before a cascading failure occurs is challenging: existing methods can learn inter-line failure correlations from cascade data, but they are trained and evaluated on a single grid, and transferring the learned knowledge to an unseen grid remains an open problem. We address this by training a single Gated Recurrent Unit (GRU)-gated Graph Attention Network on combined cascading failure data from limited training grids and applying it directly to any unseen grid without retraining. A GRU gate controls what information each node retains or discards at each cascade iteration. Empirical evaluation shows that the model transfers zero-shot to multiple new grids spanning inter-time and inter-domain settings. Using information extracted from the trained model, we consistently identify more vulnerable lines than established structural and electrical baselines.

Sparse autoencoders (SAEs) have become central to mechanistic interpretability, decomposing transformer activations into monosemantic features. Yet existing analyses characterise features almost exclusively through top-activating token lists or decoder weight vectors, leaving the higher-order co-occurrence structure shared across features largely unexamined. We introduce a graph-structured representation in which each SAE feature is modelled as a token co-occurrence graph: nodes are the tokens most frequent near strong activations, and edges connect pairs that co-occur within local context windows. A custom WL-style, frequency-binned graph kernel then provides a similarity measure over this structural space. Applied as a proof of concept to features from a large SAE trained on GPT-2 Small and probed with a synthetic mixed-domain corpus, our clustering recovers heuristic motif families (punctuation-heavy patterns, language and script clusters, and code-like templates) that are not recovered by clustering on decoder cosine similarity. A token-histogram baseline achieves higher overall purity, so the contribution of the graph view is complementary rather than dominant: it surfaces structural relationships that token-frequency and decoder-weight views alone do not capture. Cluster assignments are stable across graph-construction hyperparameters and random seeds.

Mechanistic interpretability aims to reverse-engineer transformer computations by identifying causal circuits through activation patching. However, scaling these interventions across diverse prompts and task families produces high-dimensional, unstructured datasets that are difficult to compare systematically. We propose a framework that reframes mechanistic analysis as a graph machine-learning problem by representing activation-patching profiles as patch-effect graphs over model components. We introduce three graph-construction methods: direct-influence via causal mediation, partial-correlation, and co-influence and apply graph kernels to analyze the resulting structures. Evaluating this approach on GPT-2 Small using Indirect Object Identification (IOI) and related tasks, we find that patch-effect graphs preserve discriminative structural signals. Specifically, localized edge-slot features provide higher classification accuracy than global graph-shape descriptors. A screened paired-patching validation suggests that CI and PC selected candidate edges correspond to stronger activation-influence effects than random or low-rank candidates. Crucially, by evaluating these representations against rigorous prompt-only and raw patch-effect controls, we make the evidential scope of the benchmark explicit: graph features compress structured patching signal, while raw tensors and surface cues define strong baselines that any circuit-level claim should address. Ultimately, our framework provides a compression and evaluation pipeline for comparing patching-derived structures under controlled baselines, separating robust slice-discriminative evidence from stronger task-general causal-circuit claims.

Recommender systems are essential components of modern online platforms which presents personalized content in various domain. The traditional collaborative filtering methods depends on static user-item interaction graphs and a limited subset of similarity measures which fail to capture the changing nature of preferences of an individual. Recent graph neural network (GNN) based approaches focus on user-item bipartite graphs which do not use explicit user-user relational modelling and dynamic graph evolution during training. To address these limitations, this paper proposes a Dynamic Graph SimilarityAware Attention Graph Neural Network (DG-SA-GNN) framework that integrates dynamic user similarity graph construction with multi-similarity propagation and attention-based aggregation. The proposed architecture constructs four parallel user similarity graphs using Cosine, Jaccard, Discounted Pearson Correlation Coefficient (Discount PCC), and IPIJ similarity functions, each processed by a dedicated UserGNN module. A Graph Transformer fuses the four graph views, and a CrossAttention module refines user embeddings through interaction with item embeddings. Crucially, the graphs are reconstructed at scheduled epochs during training, enabling the model to adapt to the learned embedding space constituting the dynamic graph component. Mini-batch training with hard negative sampling improves scalability and convergence. Experiments on the MovieLens100K benchmark demonstrate that DG-SA-GNN achieves a Recall@20 of 0.162 and NDCG@20 of 0.065 which is better than the LightGCN baseline in recall. The results validate that dynamic multi-similarity graph construction coupled with attention-based fusion which produce recommendation performance

We propose C-MTAD-GAT, an \emph{unsupervised}, \emph{context-aware} graph-attention model for anomaly detection in multivariate time series from mobile networks. C-MTAD-GAT combines graph attention with lightweight context embeddings, and uses a deterministic reconstruction head and multi-step forecaster to produce anomaly scores. Detection thresholds are calibrated \emph{without labels} from validation residuals, keeping the pipeline fully unsupervised. On the public TELCO dataset, C-MTAD-GAT consistently outperforms MTAD-GAT and the Telco-specific DC-VAE, two state-of-the-art baselines, in both event-level and pointwise F1, while triggering substantially fewer alarms. C-MTAD-GAT is also deployed in the Core network of a national mobile operator, demonstrating its resilience in real industrial settings.

Accurate end-to-end tail-latency forecasting is critical for proactive SLO management in microservice systems. However, modeling long-range dependency propagation and non-stationary, bursty workloads while maintaining inference efficiency at scale remains challenging. We present STLGT (Scalable Trace-based Linear Graph Transformer), a per-API predictor that encodes traces as span graphs for multi-step p95 tail-latency forecasting. STLGT uses a structure-aware linear graph Transformer to propagate cross-service dependencies with inference time linear in span graph size, and a decoupled temporal module to capture workload dynamics. Across a personalized education microservice application, DeathStarBench, and Alibaba traces, STLGT improves forecasting accuracy over PERT-GNN by 8.5% MAPE on average and achieves up to 12x faster CPU inference at N=32, matching the maximum span graph size after preprocessing the Alibaba traces. Ablation studies further demonstrate the effectiveness of each component, especially under bursty traffic.

Automatic depression detection from conversational interactions holds significant promise for scalable screening but remains hindered by severe data scarcity and a lack of clinical interpretability. Existing approaches typically rely on black-box deep learning architectures that struggle to model the subtle, temporal evolution of depressive symptoms or account for participant-specific heterogeneity. In this work, we propose PsyGAT (Psychological Graph Attention Network), a psychologically grounded framework that models conversational sessions as dynamic temporal graphs. We introduce Psychological Expression Units (PEUs) to explicitly encode utterance-level clinical evidence, structuring the session graph to capture transitions in psychological states rather than mere semantic dependencies. To address the critical class imbalance in depression datasets, we employ clinically approved persona-based data augmentation, enable robust model learning. Additionally, we integrate session-level personality context directly into the graph structure to disentangle trait-based behavior from acute depressive symptoms. PsyGAT achieves state-of-the-art performance, surpassing both strong graph-based baselines and closed-source LLMs like GPT-5, achieving 89.99 and 71.37 Macro F1 scores in DAIC-WoZ and E-DAIC, respectively. We further introduce Causal-PsyGAT, an interpretability module that identifies symptom triggers. Experiments show a 20% improvement in MRR for identifying causal indicators, effectively bridging the gap between depression monitoring and clinical explainability. The full augmented dataset is publicly available at https://doi.org/10.6084/m9.figshare.31801921.