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Oct 16

Visual Attention Graph

Visual attention plays a critical role when our visual system executes active visual tasks by interacting with the physical scene. However, how to encode the visual object relationship in the psychological world of our brain deserves to be explored. In the field of computer vision, predicting visual fixations or scanpaths is a usual way to explore the visual attention and behaviors of human observers when viewing a scene. Most existing methods encode visual attention using individual fixations or scanpaths based on the raw gaze shift data collected from human observers. This may not capture the common attention pattern well, because without considering the semantic information of the viewed scene, raw gaze shift data alone contain high inter- and intra-observer variability. To address this issue, we propose a new attention representation, called Attention Graph, to simultaneously code the visual saliency and scanpath in a graph-based representation and better reveal the common attention behavior of human observers. In the attention graph, the semantic-based scanpath is defined by the path on the graph, while saliency of objects can be obtained by computing fixation density on each node. Systemic experiments demonstrate that the proposed attention graph combined with our new evaluation metrics provides a better benchmark for evaluating attention prediction methods. Meanwhile, extra experiments demonstrate the promising potentials of the proposed attention graph in assessing human cognitive states, such as autism spectrum disorder screening and age classification.

  • 2 authors
·
Mar 10, 2025

Dynamic Graph with Similarity-Aware Attention Graph Neural Network for Recommender Systems

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

  • 3 authors
·
May 1

Zero-TPrune: Zero-Shot Token Pruning through Leveraging of the Attention Graph in Pre-Trained Transformers

Deployment of Transformer models on edge devices is becoming increasingly challenging due to the exponentially growing inference cost that scales quadratically with the number of tokens in the input sequence. Token pruning is an emerging solution to address this challenge due to its ease of deployment on various Transformer backbones. However, most token pruning methods require computationally expensive fine-tuning, which is undesirable in many edge deployment cases. In this work, we propose Zero-TPrune, the first zero-shot method that considers both the importance and similarity of tokens in performing token pruning. It leverages the attention graph of pre-trained Transformer models to produce an importance distribution for tokens via our proposed Weighted Page Rank (WPR) algorithm. This distribution further guides token partitioning for efficient similarity-based pruning. Due to the elimination of the fine-tuning overhead, Zero-TPrune can prune large models at negligible computational cost, switch between different pruning configurations at no computational cost, and perform hyperparameter tuning efficiently. We evaluate the performance of Zero-TPrune on vision tasks by applying it to various vision Transformer backbones and testing them on ImageNet. Without any fine-tuning, Zero-TPrune reduces the FLOPs cost of DeiT-S by 34.7\% and improves its throughput by 45.3\% with only 0.4\% accuracy loss. Compared with state-of-the-art pruning methods that require fine-tuning, Zero-TPrune not only eliminates the need for fine-tuning after pruning but also does so with only 0.1\% accuracy loss. Compared with state-of-the-art fine-tuning-free pruning methods, Zero-TPrune reduces accuracy loss by up to 49\% with the same or higher throughput.

  • 3 authors
·
May 26, 2023

AnchorFold: A Focus-Then-Fold Framework via Recursive Attention Propagation for Efficient Multi-Vector Visual Document Retrieval

Multi-vector vision-language retrievers enable fine-grained Visual Document Retrieval (VDR) through late interaction, but storing and scoring hundreds of visual patch embeddings per page incurs substantial overhead. Existing training-free methods rely on pruning or merging: pruning degrades sharply under aggressive compression, whereas merging does not explicitly prioritize important regions when forming representatives. We introduce AnchorFold, a training-free focus-then-fold framework for document-side index compression. AnchorFold applies Recursive Attention Propagation over visual self-attention graphs, performing multi-step propagation within each attention head and integrating scores across heads and layers. The focus stage selects the highest-centrality tokens as anchors. The fold stage assigns remaining tokens to their most similar anchors in the normalized retrieval space and summarizes each anchor-centered group through centrality-weighted aggregation. This preserves non-anchor contributions while concentrating capacity on structurally important tokens. Across ViDoRe v1/v2 and REAL-MM-RAG with three diverse retrieval backbones, AnchorFold consistently outperforms all evaluated training-free baselines at γleq 0.20. On ViDoRe v1/v2, it retains 98.3% of full-index NDCG@5 on average at 5times compression, achieving near-lossless compression, and 92.4% at 20times compression.

  • 7 authors
·
Aug 8

From Self-Attention to Connection Laplacian: A Unified Operator View of Transformers

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.

  • 6 authors
·
Jul 11

BdSLW401: Transformer-Based Word-Level Bangla Sign Language Recognition Using Relative Quantization Encoding (RQE)

Sign language recognition (SLR) for low-resource languages like Bangla suffers from signer variability, viewpoint variations, and limited annotated datasets. In this paper, we present BdSLW401, a large-scale, multi-view, word-level Bangla Sign Language (BdSL) dataset with 401 signs and 102,176 video samples from 18 signers in front and lateral views. To improve transformer-based SLR, we introduce Relative Quantization Encoding (RQE), a structured embedding approach anchoring landmarks to physiological reference points and quantize motion trajectories. RQE improves attention allocation by decreasing spatial variability, resulting in 44.3% WER reduction in WLASL100, 21.0% in SignBD-200, and significant gains in BdSLW60 and SignBD-90. However, fixed quantization becomes insufficient on large-scale datasets (e.g., WLASL2000), indicating the need for adaptive encoding strategies. Further, RQE-SF, an extended variant that stabilizes shoulder landmarks, achieves improvements in pose consistency at the cost of small trade-offs in lateral view recognition. The attention graphs prove that RQE improves model interpretability by focusing on the major articulatory features (fingers, wrists) and the more distinctive frames instead of global pose changes. Introducing BdSLW401 and demonstrating the effectiveness of RQE-enhanced structured embeddings, this work advances transformer-based SLR for low-resource languages and sets a benchmark for future research in this area.

  • 4 authors
·
Mar 4, 2025

Compositional Video Generation as Flow Equalization

Large-scale Text-to-Video (T2V) diffusion models have recently demonstrated unprecedented capability to transform natural language descriptions into stunning and photorealistic videos. Despite the promising results, a significant challenge remains: these models struggle to fully grasp complex compositional interactions between multiple concepts and actions. This issue arises when some words dominantly influence the final video, overshadowing other concepts.To tackle this problem, we introduce Vico, a generic framework for compositional video generation that explicitly ensures all concepts are represented properly. At its core, Vico analyzes how input tokens influence the generated video, and adjusts the model to prevent any single concept from dominating. Specifically, Vico extracts attention weights from all layers to build a spatial-temporal attention graph, and then estimates the influence as the max-flow from the source text token to the video target token. Although the direct computation of attention flow in diffusion models is typically infeasible, we devise an efficient approximation based on subgraph flows and employ a fast and vectorized implementation, which in turn makes the flow computation manageable and differentiable. By updating the noisy latent to balance these flows, Vico captures complex interactions and consequently produces videos that closely adhere to textual descriptions. We apply our method to multiple diffusion-based video models for compositional T2V and video editing. Empirical results demonstrate that our framework significantly enhances the compositional richness and accuracy of the generated videos. Visit our website at~https://adamdad.github.io/vico/{https://adamdad.github.io/vico/}.

  • 2 authors
·
Jun 10, 2024 1

p-Laplacian Adaptation for Generative Pre-trained Vision-Language Models

Vision-Language models (VLMs) pre-trained on large corpora have demonstrated notable success across a range of downstream tasks. In light of the rapidly increasing size of pre-trained VLMs, parameter-efficient transfer learning (PETL) has garnered attention as a viable alternative to full fine-tuning. One such approach is the adapter, which introduces a few trainable parameters into the pre-trained models while preserving the original parameters during adaptation. In this paper, we present a novel modeling framework that recasts adapter tuning after attention as a graph message passing process on attention graphs, where the projected query and value features and attention matrix constitute the node features and the graph adjacency matrix, respectively. Within this framework, tuning adapters in VLMs necessitates handling heterophilic graphs, owing to the disparity between the projected query and value space. To address this challenge, we propose a new adapter architecture, p-adapter, which employs p-Laplacian message passing in Graph Neural Networks (GNNs). Specifically, the attention weights are re-normalized based on the features, and the features are then aggregated using the calibrated attention matrix, enabling the dynamic exploitation of information with varying frequencies in the heterophilic attention graphs. We conduct extensive experiments on different pre-trained VLMs and multi-modal tasks, including visual question answering, visual entailment, and image captioning. The experimental results validate our method's significant superiority over other PETL methods.

  • 6 authors
·
Dec 17, 2023

Thinking Like an Expert:Multimodal Hypergraph-of-Thought (HoT) Reasoning to boost Foundation Modals

Reasoning ability is one of the most crucial capabilities of a foundation model, signifying its capacity to address complex reasoning tasks. Chain-of-Thought (CoT) technique is widely regarded as one of the effective methods for enhancing the reasoning ability of foundation models and has garnered significant attention. However, the reasoning process of CoT is linear, step-by-step, similar to personal logical reasoning, suitable for solving general and slightly complicated problems. On the contrary, the thinking pattern of an expert owns two prominent characteristics that cannot be handled appropriately in CoT, i.e., high-order multi-hop reasoning and multimodal comparative judgement. Therefore, the core motivation of this paper is transcending CoT to construct a reasoning paradigm that can think like an expert. The hyperedge of a hypergraph could connect various vertices, making it naturally suitable for modelling high-order relationships. Inspired by this, this paper innovatively proposes a multimodal Hypergraph-of-Thought (HoT) reasoning paradigm, which enables the foundation models to possess the expert-level ability of high-order multi-hop reasoning and multimodal comparative judgement. Specifically, a textual hypergraph-of-thought is constructed utilizing triple as the primary thought to model higher-order relationships, and a hyperedge-of-thought is generated through multi-hop walking paths to achieve multi-hop inference. Furthermore, we devise a visual hypergraph-of-thought to interact with the textual hypergraph-of-thought via Cross-modal Co-Attention Graph Learning for multimodal comparative verification. Experimentations on the ScienceQA benchmark demonstrate the proposed HoT-based T5 outperforms CoT-based GPT3.5 and chatGPT, which is on par with CoT-based GPT4 with a lower model size.

  • 9 authors
·
Aug 11, 2023

Graph Attention-based Reinforcement Learning for Trajectory Design and Resource Assignment in Multi-UAV Assisted Communication

In the multiple unmanned aerial vehicle (UAV)- assisted downlink communication, it is challenging for UAV base stations (UAV BSs) to realize trajectory design and resource assignment in unknown environments. The cooperation and competition between UAV BSs in the communication network leads to a Markov game problem. Multi-agent reinforcement learning is a significant solution for the above decision-making. However, there are still many common issues, such as the instability of the system and low utilization of historical data, that limit its application. In this paper, a novel graph-attention multi-agent trust region (GA-MATR) reinforcement learning framework is proposed to solve the multi-UAV assisted communication problem. Graph recurrent network is introduced to process and analyze complex topology of the communication network, so as to extract useful information and patterns from observational information. The attention mechanism provides additional weighting for conveyed information, so that the critic network can accurately evaluate the value of behavior for UAV BSs. This provides more reliable feedback signals and helps the actor network update the strategy more effectively. Ablation simulations indicate that the proposed approach attains improved convergence over the baselines. UAV BSs learn the optimal communication strategies to achieve their maximum cumulative rewards. Additionally, multi-agent trust region method with monotonic convergence provides an estimated Nash equilibrium for the multi-UAV assisted communication Markov game.

  • 4 authors
·
Jan 31, 2024

Scalable Graph Attention-based Instance Selection via Mini-Batch Sampling and Hierarchical Hashing

Instance selection (IS) is important in machine learning for reducing dataset size while keeping key characteristics. Current IS methods often struggle with capturing complex relationships in high-dimensional spaces and scale with large datasets. This paper introduces a graph attention-based instance selection (GAIS) method that uses attention mechanisms to identify informative instances through their structural relationships in graph representations. We present two approaches for scalable graph construction: a distance-based mini-batch sampling technique that reduces computation through strategic batch processing, and a hierarchical hashing approach that allows for efficient similarity computation through random projections. The mini-batch approach keeps class distributions through stratified sampling, while the hierarchical hashing method captures relationships at multiple granularities through single-level, multi-level, and multi-view variants. Experiments across 39 datasets show that GAIS achieves reduction rates above 96\% while maintaining or improving model performance relative to state-of-the-art IS methods. The findings shows that the distance-based mini-batch approach offers an optimal balance of efficiency and effectiveness for large-scale datasets, while multi-view variants provide superior performance for complex, high-dimensional data, demonstrating that attention-based importance scoring can effectively identify instances crucial for maintaining decision boundaries without requiring exhaustive pairwise comparisons.

  • 3 authors
·
Feb 27, 2025

Equivariant Graph Attention Networks with Structural Motifs for Predicting Cell Line-Specific Synergistic Drug Combinations

Cancer is the second leading cause of death, with chemotherapy as one of the primary forms of treatment. As a result, researchers are turning to drug combination therapy to decrease drug resistance and increase efficacy. Current methods of drug combination screening, such as in vivo and in vitro, are inefficient due to stark time and monetary costs. In silico methods have become increasingly important for screening drugs, but current methods are inaccurate and generalize poorly to unseen anticancer drugs. In this paper, I employ a geometric deep-learning model utilizing a graph attention network that is equivariant to 3D rotations, translations, and reflections with structural motifs. Additionally, the gene expression of cancer cell lines is utilized to classify synergistic drug combinations specific to each cell line. I compared the proposed geometric deep learning framework to current state-of-the-art (SOTA) methods, and the proposed model architecture achieved greater performance on all 12 benchmark tasks performed on the DrugComb dataset. Specifically, the proposed framework outperformed other SOTA methods by an accuracy difference greater than 28%. Based on these results, I believe that the equivariant graph attention network's capability of learning geometric data accounts for the large performance improvements. The model's ability to generalize to foreign drugs is thought to be due to the structural motifs providing a better representation of the molecule. Overall, I believe that the proposed equivariant geometric deep learning framework serves as an effective tool for virtually screening anticancer drug combinations for further validation in a wet lab environment. The code for this work is made available online at: https://github.com/WeToTheMoon/EGAT_DrugSynergy.

  • 1 authors
·
Nov 7, 2024

MobileViG: Graph-Based Sparse Attention for Mobile Vision Applications

Traditionally, convolutional neural networks (CNN) and vision transformers (ViT) have dominated computer vision. However, recently proposed vision graph neural networks (ViG) provide a new avenue for exploration. Unfortunately, for mobile applications, ViGs are computationally expensive due to the overhead of representing images as graph structures. In this work, we propose a new graph-based sparse attention mechanism, Sparse Vision Graph Attention (SVGA), that is designed for ViGs running on mobile devices. Additionally, we propose the first hybrid CNN-GNN architecture for vision tasks on mobile devices, MobileViG, which uses SVGA. Extensive experiments show that MobileViG beats existing ViG models and existing mobile CNN and ViT architectures in terms of accuracy and/or speed on image classification, object detection, and instance segmentation tasks. Our fastest model, MobileViG-Ti, achieves 75.7% top-1 accuracy on ImageNet-1K with 0.78 ms inference latency on iPhone 13 Mini NPU (compiled with CoreML), which is faster than MobileNetV2x1.4 (1.02 ms, 74.7% top-1) and MobileNetV2x1.0 (0.81 ms, 71.8% top-1). Our largest model, MobileViG-B obtains 82.6% top-1 accuracy with only 2.30 ms latency, which is faster and more accurate than the similarly sized EfficientFormer-L3 model (2.77 ms, 82.4%). Our work proves that well designed hybrid CNN-GNN architectures can be a new avenue of exploration for designing models that are extremely fast and accurate on mobile devices. Our code is publicly available at https://github.com/SLDGroup/MobileViG.

  • 3 authors
·
Jul 1, 2023

VectorGraphNET: Graph Attention Networks for Accurate Segmentation of Complex Technical Drawings

This paper introduces a new approach to extract and analyze vector data from technical drawings in PDF format. Our method involves converting PDF files into SVG format and creating a feature-rich graph representation, which captures the relationships between vector entities using geometrical information. We then apply a graph attention transformer with hierarchical label definition to achieve accurate line-level segmentation. Our approach is evaluated on two datasets, including the public FloorplanCAD dataset, which achieves state-of-the-art results on weighted F1 score, surpassing existing methods. The proposed vector-based method offers a more scalable solution for large-scale technical drawing analysis compared to vision-based approaches, while also requiring significantly less GPU power than current state-of-the-art vector-based techniques. Moreover, it demonstrates improved performance in terms of the weighted F1 (wF1) score on the semantic segmentation task. Our results demonstrate the effectiveness of our approach in extracting meaningful information from technical drawings, enabling new applications, and improving existing workflows in the AEC industry. Potential applications of our approach include automated building information modeling (BIM) and construction planning, which could significantly impact the efficiency and productivity of the industry.

  • 3 authors
·
Oct 2, 2024

Pixel-wise Graph Attention Networks for Person Re-identification

Graph convolutional networks (GCN) is widely used to handle irregular data since it updates node features by using the structure information of graph. With the help of iterated GCN, high-order information can be obtained to further enhance the representation of nodes. However, how to apply GCN to structured data (such as pictures) has not been deeply studied. In this paper, we explore the application of graph attention networks (GAT) in image feature extraction. First of all, we propose a novel graph generation algorithm to convert images into graphs through matrix transformation. It is one magnitude faster than the algorithm based on K Nearest Neighbors (KNN). Then, GAT is used on the generated graph to update the node features. Thus, a more robust representation is obtained. These two steps are combined into a module called pixel-wise graph attention module (PGA). Since the graph obtained by our graph generation algorithm can still be transformed into a picture after processing, PGA can be well combined with CNN. Based on these two modules, we consulted the ResNet and design a pixel-wise graph attention network (PGANet). The PGANet is applied to the task of person re-identification in the datasets Market1501, DukeMTMC-reID and Occluded-DukeMTMC (outperforms state-of-the-art by 0.8\%, 1.1\% and 11\% respectively, in mAP scores). Experiment results show that it achieves the state-of-the-art performance. https://github.com/wenyu1009/PGANet{The code is available here}.

  • 5 authors
·
Jul 18, 2023

A Temporally Augmented Graph Attention Network for Affordance Classification

Graph attention networks (GATs) provide one of the best frameworks for learning node representations in relational data; but, existing variants such as Graph Attention Network (GAT) mainly operate on static graphs and rely on implicit temporal aggregation when applied to sequential data. In this paper, we introduce Electroencephalography-temporal Graph Attention Network (EEG-tGAT), a temporally augmented formulation of GATv2 that is tailored for affordance classification from interaction sequences. The proposed model incorporates temporal attention to modulate the contribution of different time segments and temporal dropout to regularize learning across temporally correlated observations. The design reflects the assumption that temporal dimensions in affordance data are not semantically uniform and that discriminative information may be unevenly distributed across time. Experimental results on affordance datasets show that EEG-tGAT achieves improved classification performance compared to GATv2. The observed gains helps to conclude that explicitly encoding temporal importance and enforcing temporal robustness introduce inductive biases that are much better aligned with the structure of affordance-driven interaction data. These findings show us that modest architectural changes to graph attention models can help one obtain consistent benefits when temporal relationships play a nontrivial role in the task.

Graph-Aware Isomorphic Attention for Adaptive Dynamics in Transformers

We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent connection between attention and graph theory, we reformulate the Transformer's attention mechanism as a graph operation and propose Graph-Aware Isomorphic Attention. This method leverages advanced graph modeling strategies, including Graph Isomorphism Networks (GIN) and Principal Neighborhood Aggregation (PNA), to enrich the representation of relational structures. Our approach captures complex dependencies and generalizes across tasks, as evidenced by a reduced generalization gap and improved learning performance. Additionally, we expand the concept of graph-aware attention to introduce Sparse GIN-Attention, a fine-tuning approach that employs sparse GINs. By interpreting attention matrices as sparse adjacency graphs, this technique enhances the adaptability of pre-trained foundational models with minimal computational overhead, endowing them with graph-aware capabilities. Sparse GIN-Attention fine-tuning achieves improved training dynamics and better generalization compared to alternative methods like low-rank adaption (LoRA). We discuss latent graph-like structures within traditional attention mechanisms, offering a new lens through which Transformers can be understood. By evolving Transformers as hierarchical GIN models for relational reasoning. This perspective suggests profound implications for foundational model development, enabling the design of architectures that dynamically adapt to both local and global dependencies. Applications in bioinformatics, materials science, language modeling, and beyond could benefit from this synthesis of relational and sequential data modeling, setting the stage for interpretable and generalizable modeling strategies.

  • 1 authors
·
Jan 4, 2025 2

Perturbation Ontology based Graph Attention Networks

In recent years, graph representation learning has undergone a paradigm shift, driven by the emergence and proliferation of graph neural networks (GNNs) and their heterogeneous counterparts. Heterogeneous GNNs have shown remarkable success in extracting low-dimensional embeddings from complex graphs that encompass diverse entity types and relationships. While meta-path-based techniques have long been recognized for their ability to capture semantic affinities among nodes, their dependence on manual specification poses a significant limitation. In contrast, matrix-focused methods accelerate processing by utilizing structural cues but often overlook contextual richness. In this paper, we challenge the current paradigm by introducing ontology as a fundamental semantic primitive within complex graphs. Our goal is to integrate the strengths of both matrix-centric and meta-path-based approaches into a unified framework. We propose perturbation Ontology-based Graph Attention Networks (POGAT), a novel methodology that combines ontology subgraphs with an advanced self-supervised learning paradigm to achieve a deep contextual understanding. The core innovation of POGAT lies in our enhanced homogeneous perturbing scheme designed to generate rigorous negative samples, encouraging the model to explore minimal contextual features more thoroughly. Through extensive empirical evaluations, we demonstrate that POGAT significantly outperforms state-of-the-art baselines, achieving a groundbreaking improvement of up to 10.78\% in F1-score for the critical task of link prediction and 12.01\% in Micro-F1 for the critical task of node classification.

  • 6 authors
·
Nov 27, 2024

Attention Mechanisms Perspective: Exploring LLM Processing of Graph-Structured Data

Attention mechanisms are critical to the success of large language models (LLMs), driving significant advancements in multiple fields. However, for graph-structured data, which requires emphasis on topological connections, they fall short compared to message-passing mechanisms on fixed links, such as those employed by Graph Neural Networks (GNNs). This raises a question: ``Does attention fail for graphs in natural language settings?'' Motivated by these observations, we embarked on an empirical study from the perspective of attention mechanisms to explore how LLMs process graph-structured data. The goal is to gain deeper insights into the attention behavior of LLMs over graph structures. We uncovered unique phenomena regarding how LLMs apply attention to graph-structured data and analyzed these findings to improve the modeling of such data by LLMs. The primary findings of our research are: 1) While LLMs can recognize graph data and capture text-node interactions, they struggle to model inter-node relationships within graph structures due to inherent architectural constraints. 2) The attention distribution of LLMs across graph nodes does not align with ideal structural patterns, indicating a failure to adapt to graph topology nuances. 3) Neither fully connected attention nor fixed connectivity is optimal; each has specific limitations in its application scenarios. Instead, intermediate-state attention windows improve LLM training performance and seamlessly transition to fully connected windows during inference. Source code: https://github.com/millioniron/LLM_exploration{LLM4Exploration}

  • 5 authors
·
May 4, 2025 1

KGAT: Knowledge Graph Attention Network for Recommendation

To provide more accurate, diverse, and explainable recommendation, it is compulsory to go beyond modeling user-item interactions and take side information into account. Traditional methods like factorization machine (FM) cast it as a supervised learning problem, which assumes each interaction as an independent instance with side information encoded. Due to the overlook of the relations among instances or items (e.g., the director of a movie is also an actor of another movie), these methods are insufficient to distill the collaborative signal from the collective behaviors of users. In this work, we investigate the utility of knowledge graph (KG), which breaks down the independent interaction assumption by linking items with their attributes. We argue that in such a hybrid structure of KG and user-item graph, high-order relations --- which connect two items with one or multiple linked attributes --- are an essential factor for successful recommendation. We propose a new method named Knowledge Graph Attention Network (KGAT) which explicitly models the high-order connectivities in KG in an end-to-end fashion. It recursively propagates the embeddings from a node's neighbors (which can be users, items, or attributes) to refine the node's embedding, and employs an attention mechanism to discriminate the importance of the neighbors. Our KGAT is conceptually advantageous to existing KG-based recommendation methods, which either exploit high-order relations by extracting paths or implicitly modeling them with regularization. Empirical results on three public benchmarks show that KGAT significantly outperforms state-of-the-art methods like Neural FM and RippleNet. Further studies verify the efficacy of embedding propagation for high-order relation modeling and the interpretability benefits brought by the attention mechanism.

  • 5 authors
·
May 19, 2019

Power law graph attention: exact generalization of scaled dot-product attention, empirical collapse at inference

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 5times 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.

RadioGAT: A Joint Model-based and Data-driven Framework for Multi-band Radiomap Reconstruction via Graph Attention Networks

Multi-band radiomap reconstruction (MB-RMR) is a key component in wireless communications for tasks such as spectrum management and network planning. However, traditional machine-learning-based MB-RMR methods, which rely heavily on simulated data or complete structured ground truth, face significant deployment challenges. These challenges stem from the differences between simulated and actual data, as well as the scarcity of real-world measurements. To address these challenges, our study presents RadioGAT, a novel framework based on Graph Attention Network (GAT) tailored for MB-RMR within a single area, eliminating the need for multi-region datasets. RadioGAT innovatively merges model-based spatial-spectral correlation encoding with data-driven radiomap generalization, thus minimizing the reliance on extensive data sources. The framework begins by transforming sparse multi-band data into a graph structure through an innovative encoding strategy that leverages radio propagation models to capture the spatial-spectral correlation inherent in the data. This graph-based representation not only simplifies data handling but also enables tailored label sampling during training, significantly enhancing the framework's adaptability for deployment. Subsequently, The GAT is employed to generalize the radiomap information across various frequency bands. Extensive experiments using raytracing datasets based on real-world environments have demonstrated RadioGAT's enhanced accuracy in supervised learning settings and its robustness in semi-supervised scenarios. These results underscore RadioGAT's effectiveness and practicality for MB-RMR in environments with limited data availability.

  • 10 authors
·
Mar 24, 2024

SUGAR: Spherical Ultrafast Graph Attention Framework for Cortical Surface Registration

Cortical surface registration plays a crucial role in aligning cortical functional and anatomical features across individuals. However, conventional registration algorithms are computationally inefficient. Recently, learning-based registration algorithms have emerged as a promising solution, significantly improving processing efficiency. Nonetheless, there remains a gap in the development of a learning-based method that exceeds the state-of-the-art conventional methods simultaneously in computational efficiency, registration accuracy, and distortion control, despite the theoretically greater representational capabilities of deep learning approaches. To address the challenge, we present SUGAR, a unified unsupervised deep-learning framework for both rigid and non-rigid registration. SUGAR incorporates a U-Net-based spherical graph attention network and leverages the Euler angle representation for deformation. In addition to the similarity loss, we introduce fold and multiple distortion losses, to preserve topology and minimize various types of distortions. Furthermore, we propose a data augmentation strategy specifically tailored for spherical surface registration, enhancing the registration performance. Through extensive evaluation involving over 10,000 scans from 7 diverse datasets, we showed that our framework exhibits comparable or superior registration performance in accuracy, distortion, and test-retest reliability compared to conventional and learning-based methods. Additionally, SUGAR achieves remarkable sub-second processing times, offering a notable speed-up of approximately 12,000 times in registering 9,000 subjects from the UK Biobank dataset in just 32 minutes. This combination of high registration performance and accelerated processing time may greatly benefit large-scale neuroimaging studies.

  • 15 authors
·
Jul 1, 2023

BioIE: Biomedical Information Extraction with Multi-head Attention Enhanced Graph Convolutional Network

Constructing large-scaled medical knowledge graphs can significantly boost healthcare applications for medical surveillance, bring much attention from recent research. An essential step in constructing large-scale MKG is extracting information from medical reports. Recently, information extraction techniques have been proposed and show promising performance in biomedical information extraction. However, these methods only consider limited types of entity and relation due to the noisy biomedical text data with complex entity correlations. Thus, they fail to provide enough information for constructing MKGs and restrict the downstream applications. To address this issue, we propose Biomedical Information Extraction, a hybrid neural network to extract relations from biomedical text and unstructured medical reports. Our model utilizes a multi-head attention enhanced graph convolutional network to capture the complex relations and context information while resisting the noise from the data. We evaluate our model on two major biomedical relationship extraction tasks, chemical-disease relation and chemical-protein interaction, and a cross-hospital pan-cancer pathology report corpus. The results show that our method achieves superior performance than baselines. Furthermore, we evaluate the applicability of our method under a transfer learning setting and show that BioIE achieves promising performance in processing medical text from different formats and writing styles.

  • 6 authors
·
Oct 26, 2021

Amortized Inverse Kinematics via Graph Attention for Real-Time Human Avatar Animation

Inverse kinematics (IK) is a core operation in animation, robotics, and biomechanics: given Cartesian constraints, recover joint rotations under a known kinematic tree. In many real-time human avatar pipelines, the available signal per frame is a sparse set of tracked 3D joint positions, whereas animation systems require joint orientations to drive skinning. Recovering full orientations from positions is underconstrained, most notably because twist about bone axes is ambiguous, and classical IK solvers typically rely on iterative optimization that can be slow and sensitive to noisy inputs. We introduce IK-GAT, a lightweight graph-attention network that reconstructs full-body joint orientations from 3D joint positions in a single forward pass. The model performs message passing over the skeletal parent-child graph to exploit kinematic structure during rotation inference. To simplify learning, IK-GAT predicts rotations in a bone-aligned world-frame representation anchored to rest-pose bone frames. This parameterization makes the twist axis explicit and is exactly invertible to standard parent-relative local rotations given the kinematic tree and rest pose. The network uses a continuous 6D rotation representation and is trained with a geodesic loss on SO(3) together with an optional forward-kinematics consistency regularizer. IK-GAT produces animation-ready local rotations that can directly drive a rigged avatar or be converted to pose parameters of SMPL-like body models for real-time and online applications. With 374K parameters and over 650 FPS on CPU, IK-GAT outperforms VPoser-based per-frame iterative optimization without warm-start at significantly lower cost, and is robust to initial pose and input noise

  • 6 authors
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Apr 16

DyEdgeGAT: Dynamic Edge via Graph Attention for Early Fault Detection in IIoT Systems

In the Industrial Internet of Things (IIoT), condition monitoring sensor signals from complex systems often exhibit nonlinear and stochastic spatial-temporal dynamics under varying conditions. These complex dynamics make fault detection particularly challenging. While previous methods effectively model these dynamics, they often neglect the evolution of relationships between sensor signals. Undetected shifts in these relationships can lead to significant system failures. Furthermore, these methods frequently misidentify novel operating conditions as faults. Addressing these limitations, we propose DyEdgeGAT (Dynamic Edge via Graph Attention), a novel approach for early-stage fault detection in IIoT systems. DyEdgeGAT's primary innovation lies in a novel graph inference scheme for multivariate time series that tracks the evolution of relationships between time series, enabled by dynamic edge construction. Another key innovation of DyEdgeGAT is its ability to incorporate operating condition contexts into node dynamics modeling, enhancing its accuracy and robustness. We rigorously evaluated DyEdgeGAT using both a synthetic dataset, simulating varying levels of fault severity, and a real-world industrial-scale multiphase flow facility benchmark with diverse fault types under varying operating conditions and detection complexities. The results show that DyEdgeGAT significantly outperforms other baseline methods in fault detection, particularly in the early stages with low severity, and exhibits robust performance under novel operating conditions.

  • 2 authors
·
Jan 24, 2024

Octopus-inspired Distributed Control for Soft Robotic Arms: A Graph Neural Network-Based Attention Policy with Environmental Interaction

This paper proposes SoftGM, an octopus-inspired distributed control architecture for segmented soft robotic arms that learn to reach targets in contact-rich environments using online obstacle discovery without assuming full obstacle geometry at the start of each episode. SoftGM formulates each arm section as a cooperative agent and represents the arm-environment interaction as a graph. SoftGM uses a two-stage graph attention message passing scheme following a Centralised Training Decentralised Execution (CTDE) paradigm with a centralised critic and decentralised actor. We evaluate SoftGM in a Cosserat-rod simulator (PyElastica) across three tasks that increase the complexity of the environment: obstacle-free, structured obstacles, and a wall-with-hole scenario. Compared with six widely used MARL baselines (IDDPG, IPPO, ISAC, MADDPG, MAPPO, MASAC) under identical information content and training conditions, SoftGM matches strong CTDE methods in simpler settings and achieves the best performance in the wall-with-hole task. Robustness tests with observation noise, single-section actuation failure, and transient disturbances show that SoftGM maintains comparable performance under non-ideal simulated conditions while keeping control effort bounded, suggesting that selective contact-relevant information routing improves resilience in the tested settings.

  • 5 authors
·
Jul 15

Activity-aware Human Mobility Prediction with Hierarchical Graph Attention Recurrent Network

Human mobility prediction is a fundamental task essential for various applications in urban planning, location-based services and intelligent transportation systems. Existing methods often ignore activity information crucial for reasoning human preferences and routines, or adopt a simplified representation of the dependencies between time, activities and locations. To address these issues, we present Hierarchical Graph Attention Recurrent Network (HGARN) for human mobility prediction. Specifically, we construct a hierarchical graph based on past mobility records and employ a Hierarchical Graph Attention Module to capture complex time-activity-location dependencies. This way, HGARN can learn representations with rich human travel semantics to model user preferences at the global level. We also propose a model-agnostic history-enhanced confidence (MAHEC) label to incorporate each user's individual-level preferences. Finally, we introduce a Temporal Module, which employs recurrent structures to jointly predict users' next activities and their associated locations, with the former used as an auxiliary task to enhance the latter prediction. For model evaluation, we test the performance of HGARN against existing state-of-the-art methods in both the recurring (i.e., returning to a previously visited location) and explorative (i.e., visiting a new location) settings. Overall, HGARN outperforms other baselines significantly in all settings based on two real-world human mobility data benchmarks. These findings confirm the important role that human activities play in determining mobility decisions, illustrating the need to develop activity-aware intelligent transportation systems. Source codes of this study are available at https://github.com/YihongT/HGARN.

  • 3 authors
·
Oct 14, 2022

Consistent Time-of-Flight Depth Denoising via Graph-Informed Geometric Attention

Depth images captured by Time-of-Flight (ToF) sensors are prone to noise, requiring denoising for reliable downstream applications. Previous works either focus on single-frame processing, or perform multi-frame processing without considering depth variations at corresponding pixels across frames, leading to undesirable temporal inconsistency and spatial ambiguity. In this paper, we propose a novel ToF depth denoising network leveraging motion-invariant graph fusion to simultaneously enhance temporal stability and spatial sharpness. Specifically, despite depth shifts across frames, graph structures exhibit temporal self-similarity, enabling cross-frame geometric attention for graph fusion. Then, by incorporating an image smoothness prior on the fused graph and data fidelity term derived from ToF noise distribution, we formulate a maximum a posterior problem for ToF denoising. Finally, the solution is unrolled into iterative filters whose weights are adaptively learned from the graph-informed geometric attention, producing a high-performance yet interpretable network. Experimental results demonstrate that the proposed scheme achieves state-of-the-art performance in terms of accuracy and consistency on synthetic DVToF dataset and exhibits robust generalization on the real Kinectv2 dataset. Source code will be released at https://github.com/davidweidawang/GIGA-ToF{https://github.com/davidweidawang/GIGA-ToF}.

  • 4 authors
·
Jun 30, 2025 2

STARN-GAT: A Multi-Modal Spatio-Temporal Graph Attention Network for Accident Severity Prediction

Accurate prediction of traffic accident severity is critical for improving road safety, optimizing emergency response strategies, and informing the design of safer transportation infrastructure. However, existing approaches often struggle to effectively model the intricate interdependencies among spatial, temporal, and contextual variables that govern accident outcomes. In this study, we introduce STARN-GAT, a Multi-Modal Spatio-Temporal Graph Attention Network, which leverages adaptive graph construction and modality-aware attention mechanisms to capture these complex relationships. Unlike conventional methods, STARN-GAT integrates road network topology, temporal traffic patterns, and environmental context within a unified attention-based framework. The model is evaluated on the Fatality Analysis Reporting System (FARS) dataset, achieving a Macro F1-score of 85 percent, ROC-AUC of 0.91, and recall of 81 percent for severe incidents. To ensure generalizability within the South Asian context, STARN-GAT is further validated on the ARI-BUET traffic accident dataset, where it attains a Macro F1-score of 0.84, recall of 0.78, and ROC-AUC of 0.89. These results demonstrate the model's effectiveness in identifying high-risk cases and its potential for deployment in real-time, safety-critical traffic management systems. Furthermore, the attention-based architecture enhances interpretability, offering insights into contributing factors and supporting trust in AI-assisted decision-making. Overall, STARN-GAT bridges the gap between advanced graph neural network techniques and practical applications in road safety analytics.

  • 2 authors
·
Jul 27, 2025

EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers

As SE(3)-equivariant graph neural networks mature as a core tool for 3D atomistic modeling, improving their efficiency, expressivity, and physical consistency has become a central challenge for large-scale applications. In this work, we introduce EquiformerV3, the third generation of the SE(3)-equivariant graph attention Transformer, designed to advance all three dimensions: efficiency, expressivity, and generality. Building on EquiformerV2, we have the following three key advances. First, we optimize the software implementation, achieving 1.75times speedup. Second, we introduce simple and effective modifications to EquiformerV2, including equivariant merged layer normalization, improved feedforward network hyper-parameters, and attention with smooth radius cutoff. Third, we propose SwiGLU-S^2 activations to incorporate many-body interactions for better theoretical expressivity and to preserve strict equivariance while reducing the complexity of sampling S^2 grids. Together, SwiGLU-S^2 activations and smooth-cutoff attention enable accurate modeling of smoothly varying potential energy surfaces (PES), generalizing EquiformerV3 to tasks requiring energy-conserving simulations and higher-order derivatives of PES. With these improvements, EquiformerV3 trained with the auxiliary task of denoising non-equilibrium structures (DeNS) achieves state-of-the-art results on OC20, OMat24, and Matbench Discovery.

RecGOAT: Graph Optimal Adaptive Transport for LLM-Enhanced Multimodal Recommendation with Dual Semantic Alignment

Multimodal recommendation systems typically integrates user behavior with multimodal data from items, thereby capturing more accurate user preferences. Concurrently, with the rise of large models (LMs), multimodal recommendation is increasingly leveraging their strengths in semantic understanding and contextual reasoning. However, LM representations are inherently optimized for general semantic tasks, while recommendation models rely heavily on sparse user/item unique identity (ID) features. Existing works overlook the fundamental representational divergence between large models and recommendation systems, resulting in incompatible multimodal representations and suboptimal recommendation performance. To bridge this gap, we propose RecGOAT, a novel yet simple dual semantic alignment framework for LLM-enhanced multimodal recommendation, which offers theoretically guaranteed alignment capability. RecGOAT first employs graph attention networks to enrich collaborative semantics by modeling item-item, user-item, and user-user relationships, leveraging user/item LM representations and interaction history. Furthermore, we design a dual-granularity progressive multimodality-ID alignment framework, which achieves instance-level and distribution-level semantic alignment via cross-modal contrastive learning (CMCL) and optimal adaptive transport (OAT), respectively. Theoretically, we demonstrate that the unified representations derived from our alignment framework exhibit superior semantic consistency and comprehensiveness. Extensive experiments on three public benchmarks show that our RecGOAT achieves state-of-the-art performance, empirically validating our theoretical insights. Additionally, the deployment on a large-scale online advertising platform confirms the model's effectiveness and scalability in industrial recommendation scenarios. Code available at https://github.com/6lyc/RecGOAT-LLM4Rec.

Graph Neural Networks for Jamming Source Localization

Graph-based learning has emerged as a transformative approach for modeling complex relationships across diverse domains, yet its potential in wireless security remains largely unexplored. In this work, we introduce the first application of graph-based learning for jamming source localization, addressing the imminent threat of jamming attacks in wireless networks. Unlike geometric optimization techniques that struggle under environmental uncertainties and dense interference, we reformulate localization as an inductive graph regression task. Our approach integrates structured node representations that encode local and global signal aggregation, ensuring spatial coherence and adaptive signal fusion. To enhance robustness, we incorporate an attention-based graph neural network that adaptively refines neighborhood influence and introduces a confidence-guided estimation mechanism that dynamically balances learned predictions with domain-informed priors. We evaluate our approach under complex radio frequency environments with varying sampling densities and signal propagation conditions, conducting comprehensive ablation studies on graph construction, feature selection, and pooling strategies. Results demonstrate that our novel graph-based learning framework significantly outperforms established localization baselines, particularly in challenging scenarios with sparse and obfuscated signal information. Code is available at [https://github.com/daniaherzalla/gnn-jamming-source-localization](https://github.com/daniaherzalla/gnn-jamming-source-localization).

  • 3 authors
·
Jun 1, 2025

Pharmacology Knowledge Graphs: Do We Need Chemical Structure for Drug Repurposing?

The contributions of model complexity, data volume, and feature modalities to knowledge graph-based drug repurposing remain poorly quantified under rigorous temporal validation. We constructed a pharmacology knowledge graph from ChEMBL 36 comprising 5,348 entities including 3,127 drugs, 1,156 proteins, and 1,065 indications. A strict temporal split was enforced with training data up to 2022 and testing data from 2023 to 2025, together with biologically verified hard negatives mined from failed assays and clinical trials. We benchmarked five knowledge graph embedding models and a standard graph neural network with 3.44 million parameters that incorporates drug chemical structure using a graph attention encoder and ESM-2 protein embeddings. Scaling experiments ranging from 0.78 to 9.75 million parameters and from 25 to 100 percent of the data, together with feature ablation studies, were used to isolate the contributions of model capacity, graph density, and node feature modalities. Removing the graph attention based drug structure encoder and retaining only topological embeddings combined with ESM-2 protein features improved drug protein PR-AUC from 0.5631 to 0.5785 while reducing VRAM usage from 5.30 GB to 353 MB. Replacing the drug encoder with Morgan fingerprints further degraded performance, indicating that explicit chemical structure representations can be detrimental for predicting pharmacological network interactions. Increasing model size beyond 2.44 million parameters yielded diminishing returns, whereas increasing training data consistently improved performance. External validation confirmed 6 of the top 14 novel predictions as established therapeutic indications. These results show that drug pharmacological behavior can be accurately predicted using target-centric information and drug network topology alone, without requiring explicit chemical structure representations.

  • 3 authors
·
Mar 1

MR-GNF: Multi-Resolution Graph Neural Forecasting on Ellipsoidal Meshes for Efficient Regional Weather Prediction

Weather forecasting offers an ideal testbed for artificial intelligence (AI) to learn complex, multi-scale physical systems. Traditional numerical weather prediction remains computationally costly for frequent regional updates, as high-resolution nests require intensive boundary coupling. We introduce Multi-Resolution Graph Neural Forecasting (MR-GNF), a lightweight, physics-aware model that performs short-term regional forecasts directly on an ellipsoidal, multi-scale graph of the Earth. The framework couples a 0.25° region of interest with a 0.5° context belt and 1.0° outer domain, enabling continuous cross-scale message passing without explicit nested boundaries. Its axial graph-attention network alternates vertical self-attention across pressure levels with horizontal graph attention across surface nodes, capturing implicit 3-D structure in just 1.6 M parameters. Trained on 40 years of ERA5 reanalysis (1980-2024), MR-GNF delivers stable +6 h to +24 h forecasts for near-surface temperature, wind, and precipitation over the UK-Ireland sector. Despite a total compute cost below 80 GPU-hours on a single RTX 6000 Ada, the model matches or exceeds heavier regional AI systems while preserving physical consistency across scales. These results demonstrate that graph-based neural operators can achieve trustworthy, high-resolution weather prediction at a fraction of NWP cost, opening a practical path toward AI-driven early-warning and renewable-energy forecasting systems. Project page and code: https://github.com/AndriiShchur/MR-GNF

  • 2 authors
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Mar 12

Learning from Historical Activations in Graph Neural Networks

Graph Neural Networks (GNNs) have demonstrated remarkable success in various domains such as social networks, molecular chemistry, and more. A crucial component of GNNs is the pooling procedure, in which the node features calculated by the model are combined to form an informative final descriptor to be used for the downstream task. However, previous graph pooling schemes rely on the last GNN layer features as an input to the pooling or classifier layers, potentially under-utilizing important activations of previous layers produced during the forward pass of the model, which we regard as historical graph activations. This gap is particularly pronounced in cases where a node's representation can shift significantly over the course of many graph neural layers, and worsened by graph-specific challenges such as over-smoothing in deep architectures. To bridge this gap, we introduce HISTOGRAPH, a novel two-stage attention-based final aggregation layer that first applies a unified layer-wise attention over intermediate activations, followed by node-wise attention. By modeling the evolution of node representations across layers, our HISTOGRAPH leverages both the activation history of nodes and the graph structure to refine features used for final prediction. Empirical results on multiple graph classification benchmarks demonstrate that HISTOGRAPH offers strong performance that consistently improves traditional techniques, with particularly strong robustness in deep GNNs.

  • 4 authors
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Jan 3

Halal or Not: Knowledge Graph Completion for Predicting Cultural Appropriateness of Daily Products

The growing demand for halal cosmetic products has exposed significant challenges, especially in Muslim-majority countries. Recently, various machine learning-based strategies, e.g., image-based methods, have shown remarkable success in predicting the halal status of cosmetics. However, these methods mainly focus on analyzing the discrete and specific ingredients within separate cosmetics, which ignore the high-order and complex relations between cosmetics and ingredients. To address this problem, we propose a halal cosmetic recommendation framework, namely HaCKG, that leverages a knowledge graph of cosmetics and their ingredients to explicitly model and capture the relationships between cosmetics and their components. By representing cosmetics and ingredients as entities within the knowledge graph, HaCKG effectively learns the high-order and complex relations between entities, offering a robust method for predicting halal status. Specifically, we first construct a cosmetic knowledge graph representing the relations between various cosmetics, ingredients, and their properties. We then propose a pre-trained relational graph attention network model with residual connections to learn the structural relation between entities in the knowledge graph. The pre-trained model is then fine-tuned on downstream cosmetic data to predict halal status. Extensive experiments on the cosmetic dataset over halal prediction tasks demonstrate the superiority of our model over state-of-the-art baselines.

Gaining Insight into SARS-CoV-2 Infection and COVID-19 Severity Using Self-supervised Edge Features and Graph Neural Networks

A molecular and cellular understanding of how SARS-CoV-2 variably infects and causes severe COVID-19 remains a bottleneck in developing interventions to end the pandemic. We sought to use deep learning to study the biology of SARS-CoV-2 infection and COVID-19 severity by identifying transcriptomic patterns and cell types associated with SARS-CoV-2 infection and COVID-19 severity. To do this, we developed a new approach to generating self-supervised edge features. We propose a model that builds on Graph Attention Networks (GAT), creates edge features using self-supervised learning, and ingests these edge features via a Set Transformer. This model achieves significant improvements in predicting the disease state of individual cells, given their transcriptome. We apply our model to single-cell RNA sequencing datasets of SARS-CoV-2 infected lung organoids and bronchoalveolar lavage fluid samples of patients with COVID-19, achieving state-of-the-art performance on both datasets with our model. We then borrow from the field of explainable AI (XAI) to identify the features (genes) and cell types that discriminate bystander vs. infected cells across time and moderate vs. severe COVID-19 disease. To the best of our knowledge, this represents the first application of deep learning to identifying the molecular and cellular determinants of SARS-CoV-2 infection and COVID-19 severity using single-cell omics data.

  • 3 authors
·
Jun 23, 2020

GRAPHITE: Graph-Based Interpretable Tissue Examination for Enhanced Explainability in Breast Cancer Histopathology

Explainable AI (XAI) in medical histopathology is essential for enhancing the interpretability and clinical trustworthiness of deep learning models in cancer diagnosis. However, the black-box nature of these models often limits their clinical adoption. We introduce GRAPHITE (Graph-based Interpretable Tissue Examination), a post-hoc explainable framework designed for breast cancer tissue microarray (TMA) analysis. GRAPHITE employs a multiscale approach, extracting patches at various magnification levels, constructing an hierarchical graph, and utilising graph attention networks (GAT) with scalewise attention (SAN) to capture scale-dependent features. We trained the model on 140 tumour TMA cores and four benign whole slide images from which 140 benign samples were created, and tested it on 53 pathologist-annotated TMA samples. GRAPHITE outperformed traditional XAI methods, achieving a mean average precision (mAP) of 0.56, an area under the receiver operating characteristic curve (AUROC) of 0.94, and a threshold robustness (ThR) of 0.70, indicating that the model maintains high performance across a wide range of thresholds. In clinical utility, GRAPHITE achieved the highest area under the decision curve (AUDC) of 4.17e+5, indicating reliable decision support across thresholds. These results highlight GRAPHITE's potential as a clinically valuable tool in computational pathology, providing interpretable visualisations that align with the pathologists' diagnostic reasoning and support precision medicine.

  • 6 authors
·
Jan 7, 2025

CaseGNN++: Graph Contrastive Learning for Legal Case Retrieval with Graph Augmentation

Legal case retrieval (LCR) is a specialised information retrieval task that aims to find relevant cases to a given query case. LCR holds pivotal significance in facilitating legal practitioners in finding precedents. Most of existing LCR methods are based on traditional lexical models and language models, which have gained promising performance in retrieval. However, the domain-specific structural information inherent in legal documents is yet to be exploited to further improve the performance. Our previous work CaseGNN successfully harnesses text-attributed graphs and graph neural networks to address the problem of legal structural information neglect. Nonetheless, there remain two aspects for further investigation: (1) The underutilization of rich edge information within text-attributed case graphs limits CaseGNN to generate informative case representation. (2) The inadequacy of labelled data in legal datasets hinders the training of CaseGNN model. In this paper, CaseGNN++, which is extended from CaseGNN, is proposed to simultaneously leverage the edge information and additional label data to discover the latent potential of LCR models. Specifically, an edge feature-based graph attention layer (EUGAT) is proposed to comprehensively update node and edge features during graph modelling, resulting in a full utilisation of structural information of legal cases. Moreover, a novel graph contrastive learning objective with graph augmentation is developed in CaseGNN++ to provide additional training signals, thereby enhancing the legal comprehension capabilities of CaseGNN++ model. Extensive experiments on two benchmark datasets from COLIEE 2022 and COLIEE 2023 demonstrate that CaseGNN++ not only significantly improves CaseGNN but also achieves supreme performance compared to state-of-the-art LCR methods. Code has been released on https://github.com/yanran-tang/CaseGNN.

  • 5 authors
·
May 20, 2024

ST-ResGAT: Explainable Spatio-Temporal Graph Neural Network for Road Condition Prediction and Priority-Driven Maintenance

Climate-vulnerable road networks require a paradigm shift from reactive, fix-on-failure repairs to predictive, decision-ready maintenance. This paper introduces ST-ResGAT, a novel Spatio-Temporal Residual Graph Attention Network that fuses residual graph-attention encoding with GRU temporal aggregation to forecast pavement deterioration. Engineered for resource-constrained deployment, the framework translates continuous Pavement Condition Index (PCI) forecasts directly into the American Society for Testing and Materials (ASTM)-compliant maintenance priorities. Using a real-world inspection dataset of 750 segments in Sylhet, Bangladesh (2021-2024), ST-ResGAT significantly outperforms traditional non-spatial machine learning baselines, achieving exceptional predictive fidelity (R2 = 0.93, RMSE = 2.72). Crucially, ablation testing confirmed the mathematical necessity of modeling topological neighbor effects, proving that structural decay acts as a spatial contagion. Uniquely, we integrate GNNExplainer to unbox the model, demonstrating that its learned priorities align perfectly with established physical engineering theory. Furthermore, we quantify classification safety: achieving 85.5% exact ASTM class agreement and 100% adjacent-class containment, ensuring bounded, engineer-safe predictions. To connect model outputs to policy, we generate localized longitudinal maintenance profiles, perform climate stress-testing, and derive Pareto sustainability frontiers. ST-ResGAT therefore offers a practical, explainable, and sustainable blueprint for intelligent infrastructure management in high-risk, low-resource geological settings.

  • 4 authors
·
Mar 14

Mahalanobis-Based Multi-Head Attention for Complex State Propagation

In this paper, we propose Mahalanobis-Based Multi-Head Attention (MHA-CSP), a novel attention mechanism that replaces the standard dot-product with a Mahalanobis distance-based RBF kernel, which effectively computes attention in an infinite-dimensional feature space without increasing the parameter count. Crucially, the positive definiteness of the Mahalanobis distance enables a direct construction of Tree Attention: attention scores are built directly from accumulated distances, with a LogSumExp correction that rectifies the raw distance by subtracting the log-sum of edge exponentials. Moreover, the multi-head Mahalanobis distance matrices are themselves repurposed to construct an attention meshing mechanism, enabling cross-head kernel collaboration that simultaneously boosts accuracy and training efficiency. Extensive experiments demonstrate that MHA-CSP, with only 119K parameters and teacher forcing applied exclusively at the final hidden state, consistently outperforms Transformer and GCN baselines trained from scratch under identical conditions on long-sequence state tracking tasks. While these baselines rely on dense attention or graph propagation, MHA-CSP achieves robust structured reasoning via synthetic distance rectification---powered by Mahalanobis-based attention---and efficient information bypass inherited from the CSP backbone. This result highlights the effectiveness of complex-valued state propagation with collaborative multi-head rectification in capturing symbolic structures, establishing a new efficiency-performance trade-off for structured reasoning.

  • 1 authors
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Aug 24

Enhancing Chess Reinforcement Learning with Graph Representation

Mastering games is a hard task, as games can be extremely complex, and still fundamentally different in structure from one another. While the AlphaZero algorithm has demonstrated an impressive ability to learn the rules and strategy of a large variety of games, ranging from Go and Chess, to Atari games, its reliance on extensive computational resources and rigid Convolutional Neural Network (CNN) architecture limits its adaptability and scalability. A model trained to play on a 19times 19 Go board cannot be used to play on a smaller 13times 13 board, despite the similarity between the two Go variants. In this paper, we focus on Chess, and explore using a more generic Graph-based Representation of a game state, rather than a grid-based one, to introduce a more general architecture based on Graph Neural Networks (GNN). We also expand the classical Graph Attention Network (GAT) layer to incorporate edge-features, to naturally provide a generic policy output format. Our experiments, performed on smaller networks than the initial AlphaZero paper, show that this new architecture outperforms previous architectures with a similar number of parameters, being able to increase playing strength an order of magnitude faster. We also show that the model, when trained on a smaller 5times 5 variant of chess, is able to be quickly fine-tuned to play on regular 8times 8 chess, suggesting that this approach yields promising generalization abilities. Our code is available at https://github.com/akulen/AlphaGateau.

  • 2 authors
·
Oct 30, 2024

Graph Adaptive Semantic Transfer for Cross-domain Sentiment Classification

Cross-domain sentiment classification (CDSC) aims to use the transferable semantics learned from the source domain to predict the sentiment of reviews in the unlabeled target domain. Existing studies in this task attach more attention to the sequence modeling of sentences while largely ignoring the rich domain-invariant semantics embedded in graph structures (i.e., the part-of-speech tags and dependency relations). As an important aspect of exploring characteristics of language comprehension, adaptive graph representations have played an essential role in recent years. To this end, in the paper, we aim to explore the possibility of learning invariant semantic features from graph-like structures in CDSC. Specifically, we present Graph Adaptive Semantic Transfer (GAST) model, an adaptive syntactic graph embedding method that is able to learn domain-invariant semantics from both word sequences and syntactic graphs. More specifically, we first raise a POS-Transformer module to extract sequential semantic features from the word sequences as well as the part-of-speech tags. Then, we design a Hybrid Graph Attention (HGAT) module to generate syntax-based semantic features by considering the transferable dependency relations. Finally, we devise an Integrated aDaptive Strategy (IDS) to guide the joint learning process of both modules. Extensive experiments on four public datasets indicate that GAST achieves comparable effectiveness to a range of state-of-the-art models.

  • 8 authors
·
May 18, 2022

TransGAT: Transformer-Based Graph Neural Networks for Multi-Dimensional Automated Essay Scoring

Essay writing is a critical component of student assessment, yet manual scoring is labor-intensive and inconsistent. Automated Essay Scoring (AES) offers a promising alternative, but current approaches face limitations. Recent studies have incorporated Graph Neural Networks (GNNs) into AES using static word embeddings that fail to capture contextual meaning, especially for polysemous words. Additionally, many methods rely on holistic scoring, overlooking specific writing aspects such as grammar, vocabulary, and cohesion. To address these challenges, this study proposes TransGAT, a novel approach that integrates fine-tuned Transformer models with GNNs for analytic scoring. TransGAT combines the contextual understanding of Transformers with the relational modeling strength of Graph Attention Networks (GAT). It performs two-stream predictions by pairing each fine-tuned Transformer (BERT, RoBERTa, and DeBERTaV3) with a separate GAT. In each pair, the first stream generates essay-level predictions, while the second applies GAT to Transformer token embeddings, with edges constructed from syntactic dependencies. The model then fuses predictions from both streams to produce the final analytic score. Experiments on the ELLIPSE dataset show that TransGAT outperforms baseline models, achieving an average Quadratic Weighted Kappa (QWK) of 0.854 across all analytic scoring dimensions. These findings highlight the potential of TransGAT to advance AES systems.

  • 4 authors
·
Aug 31, 2025

Learning Multi-graph Structure for Temporal Knowledge Graph Reasoning

Temporal Knowledge Graph (TKG) reasoning that forecasts future events based on historical snapshots distributed over timestamps is denoted as extrapolation and has gained significant attention. Owing to its extreme versatility and variation in spatial and temporal correlations, TKG reasoning presents a challenging task, demanding efficient capture of concurrent structures and evolutional interactions among facts. While existing methods have made strides in this direction, they still fall short of harnessing the diverse forms of intrinsic expressive semantics of TKGs, which encompass entity correlations across multiple timestamps and periodicity of temporal information. This limitation constrains their ability to thoroughly reflect historical dependencies and future trends. In response to these drawbacks, this paper proposes an innovative reasoning approach that focuses on Learning Multi-graph Structure (LMS). Concretely, it comprises three distinct modules concentrating on multiple aspects of graph structure knowledge within TKGs, including concurrent and evolutional patterns along timestamps, query-specific correlations across timestamps, and semantic dependencies of timestamps, which capture TKG features from various perspectives. Besides, LMS incorporates an adaptive gate for merging entity representations both along and across timestamps effectively. Moreover, it integrates timestamp semantics into graph attention calculations and time-aware decoders, in order to impose temporal constraints on events and narrow down prediction scopes with historical statistics. Extensive experimental results on five event-based benchmark datasets demonstrate that LMS outperforms state-of-the-art extrapolation models, indicating the superiority of modeling a multi-graph perspective for TKG reasoning.

  • 4 authors
·
Feb 25, 2024

DRG-MAPPO: Hierarchical Dynamic Role-Graph Multi-Agent Reinforcement Learning for Cooperative Air Combat

Multi-Agent Reinforcement Learning (MARL) has emerged as a pivotal paradigm for complex decision-making in autonomous systems and air combat. While MARL has demonstrated significant potential in air combat, achieving sophisticated tactical coordination remains a non-trivial challenge. This difficulty is largely attributed to two primary limitations: (1) the absence of structured relational modeling hinders agents from capturing complex, time-varying interactions among battlefield entities; and (2) conventional flat architectures often lack the capability to explicitly model tactical roles, leading to ambiguous task allocation in highly dynamic environments. To address these challenges, we propose Hierarchical Dynamic Role-Graph Multi-Agent Proximal Policy Optimization (DRG-MAPPO), a novel MARL framework that integrates graph-based relational modeling with dynamic role assignment. Specifically, DRG-MAPPO constructs a graph-based representation of battlefield interactions and leverages graph attention mechanisms to extract critical relational features among allies, enemies, and threats. Subsequently, a high-level policy employs a dynamic role assignment mechanism to determine tactical responsibilities (e.g., ``leader'' and ``supporter''). Conditioned on these roles and encoded graph-relational features, a low-level policy executes discrete maneuver actions, facilitating the joint optimization of tactical strategy and collaborative execution. Furthermore, a target-priority auxiliary task is designed to foster the emergence of behaviors such as focus-fire. Experimental results demonstrate that DRG-MAPPO achieves a state-of-the-art win rate of 87%, suggesting that our framework effectively balances relational modeling, interpretability, and optimization stability for cooperative air combat.

Text-Attributed Graph Anomaly Detection via Multi-Scale Cross- and Uni-Modal Contrastive Learning

The widespread application of graph data in various high-risk scenarios has increased attention to graph anomaly detection (GAD). Faced with real-world graphs that often carry node descriptions in the form of raw text sequences, termed text-attributed graphs (TAGs), existing graph anomaly detection pipelines typically involve shallow embedding techniques to encode such textual information into features, and then rely on complex self-supervised tasks within the graph domain to detect anomalies. However, this text encoding process is separated from the anomaly detection training objective in the graph domain, making it difficult to ensure that the extracted textual features focus on GAD-relevant information, seriously constraining the detection capability. How to seamlessly integrate raw text and graph topology to unleash the vast potential of cross-modal data in TAGs for anomaly detection poses a challenging issue. This paper presents a novel end-to-end paradigm for text-attributed graph anomaly detection, named CMUCL. We simultaneously model data from both text and graph structures, and jointly train text and graph encoders by leveraging cross-modal and uni-modal multi-scale consistency to uncover potential anomaly-related information. Accordingly, we design an anomaly score estimator based on inconsistency mining to derive node-specific anomaly scores. Considering the lack of benchmark datasets tailored for anomaly detection on TAGs, we release 8 datasets to facilitate future research. Extensive evaluations show that CMUCL significantly advances in text-attributed graph anomaly detection, delivering an 11.13% increase in average accuracy (AP) over the suboptimal.

  • 8 authors
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Jul 31, 2025

How Does Reasoning Flow? Tracing Attention-Induced Information Flow for Targeted RL in LLMs

Token-level credit assignment remains a key obstacle for reinforcement learning (RL) in large language models (LLMs), where RL recipes typically treat all tokens equally, failing to distinguish decisive reasoning steps from routine formatting or fluent filler. Recent attempts leverage model-internal signals to assign finer-grained credit, but these are often point-wise heuristics that ignore the global structure of information propagation. We propose FlowTracer, an RL framework that traces answer-targeted reasoning flow on an attention-induced directed acyclic graph in which nodes correspond to tokens and edge capacities come from aggregated attention weights and derives token credit from this global structure. The edge capacities are reweighted to retain only the influence that can reach the answer region, while enforcing local flow conservation so intermediate tokens neither lose nor gain effective mass due to path length or irrelevant branches. On this graph, FlowTracer extracts an information-flow backbone connecting the question to the answer and scores tokens by flow throughput, revealing high-impact hubs and aggregation checkpoints that mediate long-range dependencies. These derived importances are used to shape token-level rewards, enabling learning signals to focus precisely on the tokens that route information toward (or away from) correct answers and delivering consistent performance gains across a range of reasoning tasks.

alibabagroup alibaba
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Jun 9 2

Similarity-Based Self-Construct Graph Model for Predicting Patient Criticalness Using Graph Neural Networks and EHR Data

Accurately predicting the criticalness of ICU patients (such as in-ICU mortality risk) is vital for early intervention in critical care. However, conventional models often treat each patient in isolation and struggle to exploit the relational structure in Electronic Health Records (EHR). We propose a Similarity-Based Self-Construct Graph Model (SBSCGM) that dynamically builds a patient similarity graph from multi-modal EHR data, and a HybridGraphMedGNN architecture that operates on this graph to predict patient mortality and a continuous criticalness score. SBSCGM uses a hybrid similarity measure (combining feature-based and structural similarities) to connect patients with analogous clinical profiles in real-time. The HybridGraphMedGNN integrates Graph Convolutional Network (GCN), GraphSAGE, and Graph Attention Network (GAT) layers to learn robust patient representations, leveraging both local and global graph patterns. In experiments on 6,000 ICU stays from the MIMIC-III dataset, our model achieves state-of-the-art performance (AUC-ROC 0.94) outperforming baseline classifiers and single-type GNN models. We also demonstrate improved precision/recall and show that the attention mechanism provides interpretable insights into model predictions. Our framework offers a scalable and interpretable solution for critical care risk prediction, with potential to support clinicians in real-world ICU deployment.

  • 2 authors
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Aug 1, 2025

Heterogeneous LLM Methods for Ontology Learning (Few-Shot Prompting, Ensemble Typing, and Attention-Based Taxonomies)

We present a comprehensive system for addressing Tasks A, B, and C of the LLMs4OL 2025 challenge, which together span the full ontology construction pipeline: term extraction, typing, and taxonomy discovery. Our approach combines retrieval-augmented prompting, zero-shot classification, and attention-based graph modeling -- each tailored to the demands of the respective task. For Task A, we jointly extract domain-specific terms and their ontological types using a retrieval-augmented generation (RAG) pipeline. Training data was reformulated into a document to terms and types correspondence, while test-time inference leverages semantically similar training examples. This single-pass method requires no model finetuning and improves overall performance through lexical augmentation Task B, which involves assigning types to given terms, is handled via a dual strategy. In the few-shot setting (for domains with labeled training data), we reuse the RAG scheme with few-shot prompting. In the zero-shot setting (for previously unseen domains), we use a zero-shot classifier that combines cosine similarity scores from multiple embedding models using confidence-based weighting. In Task C, we model taxonomy discovery as graph inference. Using embeddings of type labels, we train a lightweight cross-attention layer to predict is-a relations by approximating a soft adjacency matrix. These modular, task-specific solutions enabled us to achieve top-ranking results in the official leaderboard across all three tasks. Taken together these strategies showcase the scalability, adaptability, and robustness of LLM-based architectures for ontology learning across heterogeneous domains. Code is available at: https://github.com/BelyaevaAlex/LLMs4OL-Challenge-Alexbek

  • 2 authors
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Aug 26, 2025

Detecting fake news by enhanced text representation with multi-EDU-structure awareness

Since fake news poses a serious threat to society and individuals, numerous studies have been brought by considering text, propagation and user profiles. Due to the data collection problem, these methods based on propagation and user profiles are less applicable in the early stages. A good alternative method is to detect news based on text as soon as they are released, and a lot of text-based methods were proposed, which usually utilized words, sentences or paragraphs as basic units. But, word is a too fine-grained unit to express coherent information well, sentence or paragraph is too coarse to show specific information. Which granularity is better and how to utilize it to enhance text representation for fake news detection are two key problems. In this paper, we introduce Elementary Discourse Unit (EDU) whose granularity is between word and sentence, and propose a multi-EDU-structure awareness model to improve text representation for fake news detection, namely EDU4FD. For the multi-EDU-structure awareness, we build the sequence-based EDU representations and the graph-based EDU representations. The former is gotten by modeling the coherence between consecutive EDUs with TextCNN that reflect the semantic coherence. For the latter, we first extract rhetorical relations to build the EDU dependency graph, which can show the global narrative logic and help deliver the main idea truthfully. Then a Relation Graph Attention Network (RGAT) is set to get the graph-based EDU representation. Finally, the two EDU representations are incorporated as the enhanced text representation for fake news detection, using a gated recursive unit combined with a global attention mechanism. Experiments on four cross-source fake news datasets show that our model outperforms the state-of-the-art text-based methods.

  • 4 authors
·
May 30, 2022

XplainLLM: A QA Explanation Dataset for Understanding LLM Decision-Making

Large Language Models (LLMs) have recently made impressive strides in natural language understanding tasks. Despite their remarkable performance, understanding their decision-making process remains a big challenge. In this paper, we look into bringing some transparency to this process by introducing a new explanation dataset for question answering (QA) tasks that integrates knowledge graphs (KGs) in a novel way. Our dataset includes 12,102 question-answer-explanation (QAE) triples. Each explanation in the dataset links the LLM's reasoning to entities and relations in the KGs. The explanation component includes a why-choose explanation, a why-not-choose explanation, and a set of reason-elements that underlie the LLM's decision. We leverage KGs and graph attention networks (GAT) to find the reason-elements and transform them into why-choose and why-not-choose explanations that are comprehensible to humans. Through quantitative and qualitative evaluations, we demonstrate the potential of our dataset to improve the in-context learning of LLMs, and enhance their interpretability and explainability. Our work contributes to the field of explainable AI by enabling a deeper understanding of the LLMs decision-making process to make them more transparent and thereby, potentially more reliable, to researchers and practitioners alike. Our dataset is available at: https://github.com/chen-zichen/XplainLLM_dataset.git

  • 5 authors
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Nov 14, 2023

FIS-ONE: Floor Identification System with One Label for Crowdsourced RF Signals

Floor labels of crowdsourced RF signals are crucial for many smart-city applications, such as multi-floor indoor localization, geofencing, and robot surveillance. To build a prediction model to identify the floor number of a new RF signal upon its measurement, conventional approaches using the crowdsourced RF signals assume that at least few labeled signal samples are available on each floor. In this work, we push the envelope further and demonstrate that it is technically feasible to enable such floor identification with only one floor-labeled signal sample on the bottom floor while having the rest of signal samples unlabeled. We propose FIS-ONE, a novel floor identification system with only one labeled sample. FIS-ONE consists of two steps, namely signal clustering and cluster indexing. We first build a bipartite graph to model the RF signal samples and obtain a latent representation of each node (each signal sample) using our attention-based graph neural network model so that the RF signal samples can be clustered more accurately. Then, we tackle the problem of indexing the clusters with proper floor labels, by leveraging the observation that signals from an access point can be detected on different floors, i.e., signal spillover. Specifically, we formulate a cluster indexing problem as a combinatorial optimization problem and show that it is equivalent to solving a traveling salesman problem, whose (near-)optimal solution can be found efficiently. We have implemented FIS-ONE and validated its effectiveness on the Microsoft dataset and in three large shopping malls. Our results show that FIS-ONE outperforms other baseline algorithms significantly, with up to 23% improvement in adjusted rand index and 25% improvement in normalized mutual information using only one floor-labeled signal sample.

  • 7 authors
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Jul 12, 2023

NeuroDDAF: Neural Dynamic Diffusion-Advection Fields with Evidential Fusion for Air Quality Forecasting

Accurate air quality forecasting is crucial for protecting public health and guiding environmental policy, yet it remains challenging due to nonlinear spatiotemporal dynamics, wind-driven transport, and distribution shifts across regions. Physics-based models are interpretable but computationally expensive and often rely on restrictive assumptions, whereas purely data-driven models can be accurate but may lack robustness and calibrated uncertainty. To address these limitations, we propose Neural Dynamic Diffusion-Advection Fields (NeuroDDAF), a physics-informed forecasting framework that unifies neural representation learning with open-system transport modeling. NeuroDDAF integrates (i) a GRU-Graph Attention encoder to capture temporal dynamics and wind-aware spatial interactions, (ii) a Fourier-domain diffusion-advection module with learnable residuals, (iii) a wind-modulated latent Neural ODE to model continuous-time evolution under time-varying connectivity, and (iv) an evidential fusion mechanism that adaptively combines physics-guided and neural forecasts while quantifying uncertainty. Experiments on four urban datasets (Beijing, Shenzhen, Tianjin, and Ancona) across 1-3 day horizons show that NeuroDDAF consistently outperforms strong baselines, including AirPhyNet, achieving up to 9.7% reduction in RMSE and 9.4% reduction in MAE on long-term forecasts. On the Beijing dataset, NeuroDDAF attains an RMSE of 41.63 μg/m^3 for 1-day prediction and 48.88 μg/m^3 for 3-day prediction, representing the best performance among all compared methods. In addition, NeuroDDAF improves cross-city generalization and yields well-calibrated uncertainty estimates, as confirmed by ensemble variance analysis and case studies under varying wind conditions.

  • 4 authors
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Mar 31

Tackling Incomplete Data in Air Quality Prediction: A Bayesian Deep Learning Framework for Uncertainty Quantification

Accurate air quality forecasts are vital for public health alerts, exposure assessment, and emissions control. In practice, observational data are often missing in varying proportions and patterns due to collection and transmission issues. These incomplete spatiotemporal records impede reliable inference and risk assessment and can lead to overconfident extrapolation. To address these challenges, we propose an end to end framework, the channel gated learning unit based spatiotemporal bayesian neural field (CGLUBNF). It uses Fourier features with a graph attention encoder to capture multiscale spatial dependencies and seasonal temporal dynamics. A channel gated learning unit, equipped with learnable activations and gated residual connections, adaptively filters and amplifies informative features. Bayesian inference jointly optimizes predictive distributions and parameter uncertainty, producing point estimates and calibrated prediction intervals. We conduct a systematic evaluation on two real world datasets, covering four typical missing data patterns and comparing against five state of the art baselines. CGLUBNF achieves superior prediction accuracy and sharper confidence intervals. In addition, we further validate robustness across multiple prediction horizons and analysis the contribution of extraneous variables. This research lays a foundation for reliable deep learning based spatio-temporal forecasting with incomplete observations in emerging sensing paradigms, such as real world vehicle borne mobile monitoring.

  • 5 authors
·
Nov 3, 2025

Onboard Mission Replanning for Adaptive Cooperative Multi-Robot Systems

Cooperative autonomous robotic systems have significant potential for executing complex multi-task missions across space, air, ground, and maritime domains. But they commonly operate in remote, dynamic and hazardous environments, requiring rapid in-mission adaptation without reliance on fragile or slow communication links to centralised compute. Fast, on-board replanning algorithms are therefore needed to enhance resilience. Reinforcement Learning shows strong promise for efficiently solving mission planning tasks when formulated as Travelling Salesperson Problems (TSPs), but existing methods: 1) are unsuitable for replanning, where agents do not start at a single location; 2) do not allow cooperation between agents; 3) are unable to model tasks with variable durations; or 4) lack practical considerations for on-board deployment. Here we define the Cooperative Mission Replanning Problem as a novel variant of multiple TSP with adaptations to overcome these issues, and develop a new encoder/decoder-based model using Graph Attention Networks and Attention Models to solve it effectively and efficiently. Using a simple example of cooperative drones, we show our replanner consistently (90% of the time) maintains performance within 10% of the state-of-the-art LKH3 heuristic solver, whilst running 85-370 times faster on a Raspberry Pi. This work paves the way for increased resilience in autonomous multi-agent systems.

  • 6 authors
·
Nov 12, 2025

Persistent-Transient Duality: A Multi-mechanism Approach for Modeling Human-Object Interaction

Humans are highly adaptable, swiftly switching between different modes to progressively handle different tasks, situations and contexts. In Human-object interaction (HOI) activities, these modes can be attributed to two mechanisms: (1) the large-scale consistent plan for the whole activity and (2) the small-scale children interactive actions that start and end along the timeline. While neuroscience and cognitive science have confirmed this multi-mechanism nature of human behavior, machine modeling approaches for human motion are trailing behind. While attempted to use gradually morphing structures (e.g., graph attention networks) to model the dynamic HOI patterns, they miss the expeditious and discrete mode-switching nature of the human motion. To bridge that gap, this work proposes to model two concurrent mechanisms that jointly control human motion: the Persistent process that runs continually on the global scale, and the Transient sub-processes that operate intermittently on the local context of the human while interacting with objects. These two mechanisms form an interactive Persistent-Transient Duality that synergistically governs the activity sequences. We model this conceptual duality by a parent-child neural network of Persistent and Transient channels with a dedicated neural module for dynamic mechanism switching. The framework is trialed on HOI motion forecasting. On two rich datasets and a wide variety of settings, the model consistently delivers superior performances, proving its suitability for the challenge.

  • 4 authors
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Jul 24, 2023