Histopathological subtyping relies on the recognition of characteristic histological patterns. These patterns may be expressed by individual tissue structures or by the spatial distribution and co-occurrence of multiple structures, and they often span irregularly shaped tissue regions, termed semantic units in this work. However, conventional patch-based representations may fragment such units and fail to explicitly preserve their internal spatial organization, while efficiently modeling relationships among numerous spatially separated units remains challenging. To address these limitations, we propose the Semantic-Aware Subgraph State Space Model (SASG-SSM), a flexible and efficient framework for whole slide image (WSI) classification. Semantic-Aware Subgraphs (SASGs) first approximate irregularly shaped semantic units by adaptively grouping spatially connected patches guided by class-agnostic visual-semantic priors. By representing patches as graph nodes with adjacency edges, SASGs preserve their internal spatial organization rather than treating them as an unordered set. A Subgraph State Space Module (SG-SSM) subsequently combines a graph neural network encoder for intra-subgraph topology encoding with a Mamba-based state space encoder for efficient contextualization across large numbers of subgraphs. This module integrates local structural information within semantic units with global contextual information arising from their distribution and co-occurrence across the WSI, while efficiently modeling a large number of spatially distributed regions. Extensive experiments across four WSI subtyping datasets demonstrate consistent advantages over representative state-of-the-art methods. Further evaluations under small-cohort and few-shot settings demonstrate robustness and data efficiency under limited training data. Code will be released at https://github.com/HLSvois/SASG-SSM.
Solving multiphysics partial differential equations (PDEs) remains a major challenge in scientific computing, especially for highly complex $μ$m-scale tortuous geometries critical to energy and chemical engineering. We address this challenge by proposing a Geometry-aware Latent Autoregressive generative Model for PDEs (GeoLAMP) for solving physics within highly irregular and tortuous structures. GeoLAMP introduces a dual-encoder architecture on graph representations to jointly capture global topology and fine-scale geometric features, enabling an effective transition from real-space fields to compact latent representations. In the latent space, we propose a causal self-attention transformer with flow matching to model temporal dynamics, allowing stable and scalable block-wise autoregressive prediction. A flexible decoder reconstructs high-resolution physical fields on arbitrary points. We establish three multiphysics benchmark datasets in complex geometries, covering reactive flow, heat convection, and elasticity. GeoLAMP consistently achieves the most stable autoregression performance on these datasets, maintaining low errors throughout the entire rollout horizon. Our results provide a systematic study of geometry-aware learning for PDEs in $μ$m-scale complex geometries and offer new insights into block-wise time marching of latent autoregressive PDE modeling via a flow matching framework.
Accurate molecular property prediction requires both statistical reliability and chemical reasoning. Graph neural networks can be calibrated directly on labeled assays but remain limited by the coverage of their training data. Large language models (LLMs) can compare molecular evidence and articulate chemical rationales, yet are unreliable as standalone quantitative predictors. The central challenge is therefore to determine when an LLM should influence a calibrated model and by how much. Here we present CoMPASS, a retrieval-calibrated framework for small-large model collaboration. CoMPASS retains a graph attention network (GAT) as the predictive anchor, retrieves locally relevant training molecules, provides attention-grounded evidence to an LLM, and converts its proposal into a bounded correction through an agreement-aware gate. Across six classification and two regression benchmarks, CoMPASS improves the GAT anchor in regions of correctable uncertainty while limiting LLM intervention in high-confidence regimes. Ablations show that the gains arise from validation-calibrated retrieval and bounded fusion rather than prompting alone. These results suggest that generative reasoning should augment calibrated prediction through evidence-grounded, controlled corrections rather than direct output replacement. Code is available at https://github.com/littlepeachs/CoMPASS.
Sina Tavakolian, Abolfazl Zakeri, Ahmed Alkhateeb +2eess.SP cs.LG
Beamforming methods in millimeter-wave (mmWave) cell-free massive multiple-input multiple-output (CFmMIMO) systems require accurate channel state information (CSI), whose acquisition entails significant training overhead. This paper shows that fully digital cell-free mmWave beamforming can be effectively learned from sub-6 GHz CSI using a graph neural network (GNN). Specifically, we represent a CFmMIMO system as a wireless graph, and the GNN is trained to approximate beamformers that maximize the downlink sum-rate based on the available sub-6 GHz CSI. A message-passing mechanism is proposed to capture inter-user interference and inter-base-station cooperation across different network topologies. Simulation results demonstrate that the proposed sub-6 GHz-assisted GNN-based beamformer achieves competitive and often superior sum-rate performance compared to classical baselines that rely on full mmWave CSI.
M. Tanveer, Ayush Singh Rana, Sanskriti Jain +5cs.LG
Electroencephalography (EEG) is a promising, non-invasive, and cost-effective modality for Alzheimer's disease (AD) detection, but deep learning methods are limited by small and imbalanced clinical datasets. Generative augmentation offers a solution, yet existing approaches rely on inefficient class-specific models or fail to capture complex spatial and temporal brain dynamics. To address this, we propose GraM-Diff, a unified classifier-guided Graph-Mamba diffusion framework for EEG synthesis. It embeds Graph Convolutional Networks within a diffusion U-Net to model inter-electrode connectivity and Bidirectional Mamba state-space blocks for linear-complexity long-range temporal modeling. Latent-space classifier guidance lets a single model generate both healthy and pathological EEG within a shared representation, avoiding fragmented per-cohort pipelines. Across four EEG-based AD benchmarks, synthetic augmentation improves classification, yields superior Context-FID and correlation scores over strong generative baselines, and enhances robustness in data-scarce settings.
Nadejda Drenska, Matthew Lemoine, Gowri Priya Sunkara +3cs.LG
Accurate estimation of body-composition outcomes, including body fat percentage (BFP), bone mineral density (BMD), and appendicular lean mass (ALM), is important for evaluating metabolic, skeletal, and muscular health. Direct assessment using dual-energy X-ray absorptiometry (DXA), however, requires specialized equipment and involves ionizing radiation. We propose a target-aware, state-adaptive $p$-Dirichlet energy-flow graph neural regression ($p$SADE-GNR) framework for estimating these outcomes from non-invasive anthropometric measurements. A neural encoder maps participant representations to hidden states that are propagated over an outcome-specific participant-similarity graph by a state-adaptive forward-Euler discretization of the graph $p$-Dirichlet energy flow. Graph distances weight each original or latent coordinate by its normalized absolute training-fold correlation with the outcome. Using clinical data from the Pennington Biomedical Research Center and five-fold cross-validation, the correlation-weighted model using the original standardized measurements achieved the lowest root mean squared error in all nine primary outcome-cohort combinations and outperformed previously reported support vector regression or least-squares support vector regression reference values in eight of nine comparisons. Autoencoder, variational-autoencoder, and Gaussian-mixture variational-autoencoder representations generally did not improve primary-outcome prediction or reduce computational cost. In an exploratory age-prediction analysis including ALM, BMD, and BFP as predictors, the correlation-weighted GMVAE model achieved the lowest mean error in all three cohorts. These results support target-aware, state-adaptive $p$-Dirichlet graph neural regression for non-invasive body-composition estimation.
Bike-sharing systems are an important component of low-carbon urban mobility, but continued expansion creates challenges in both cold-start prediction and equitable resource allocation. Newly deployed stations lack historical ridership records, causing a mismatch between training and inference for graph-based models on evolving networks. Historical demand may also encode structural inequalities, as lower ridership in low-income neighborhoods can reflect limited infrastructure access rather than weak latent demand. Models trained directly on such data may therefore reinforce existing mobility disparities. We propose FairGIN, a fairness-aware graph neural network for demand prediction in expanding bike-sharing systems. FairGIN integrates three components. Expansion-Simulated Increment Training stochastically simulates network expansion during training to reduce the cold-start distribution gap. Attention-Based Knowledge Transfer combines station-adaptive temperature scaling with orthogonal embedding alignment to transfer representations from data-rich existing stations to data-sparse new stations. Fairness-Aware Optimization introduces income-stratified regularization and an equity-calibrated deployment score to support more inclusive station placement. Experiments on NYC and Seattle demonstrate that FairGIN achieves state-of-the-art predictive accuracy across diverse expansion scenarios while substantially reducing income-based disparities without compromising overall system efficiency.
Alexis Ivan Escamilla-Lopez, Gilberto Ochoa-Ruiz, Salvador Hinojosa +1cs.CV
The interpretation of endoscopic imagery in ulcerative colitis is complex and subjective, with variability in human assessment and subtle mucosal inflammation. Although deep learning has advanced automated analysis, most vision-language models rely on global visual embeddings that overlook the localized and relational nature of pathological evidence, limiting clinical reliability and interpretability. We introduce LUX (Lesion-aware Unified eXplainable captioning), a graph-conditioned vision-language architecture for explainable endoscopic image captioning. LUX constructs a lesion-centric scene graph from Grad-CAM and CBAM activation maps, representing pathological regions as nodes and encoding their spatial and clinical relationships. These graph embeddings are integrated into the cross-attention layers of a T5 decoder, enabling generated words to attend to specific lesion nodes rather than only to global image features. This provides direct alignment between linguistic content and pathological evidence, supporting token-level interpretability and relational reasoning. LUX outperforms strong baseline and state-of-the-art medical captioning models across BLEU, METEOR, ROUGE-L, and CIDEr, with particularly strong gains in CIDEr. It also reduces hallucinated clinical findings and improves lesion-level grounding through stronger correspondence between generated tokens and localized pathological regions.
\textbf{Background and Objective}: Reliable atrial fibrillation (AF) detection from electrocardiogram (ECG) signals remains challenging in real-world clinical settings due to variable lead configurations, cross-dataset domain shifts, and pervasive physiological and technical artifacts. So we develop a robust and generalizable deep learning model for accurate AF detection.\\ \textbf{Methods}: We propose the Dual-Codebook Graph Collaborative Network (DCGCNet), a novel end-to-end vector-quantized variational autoencoder that jointly performs AF classification and ECG reconstruction. DCGCNet introduces two key components: (1) a Local-Global Contrastive Module for learning noise-invariant representations, and (2) an Adaptive Codebook Vector Quantizer that dynamically refines codebook prototypes to better align with input data distributions, thereby preventing codebook collapse and enhancing generalization.\\ \textbf{Results}: DCGCNet achieves state-of-the-art performance in standard intra-dataset 12-lead evaluation and demonstrates exceptional cross-dataset generalization across seven diverse settings, consistently attaining AUC > 0.98 in all cases. Furthermore, it maintains high diagnostic accuracy under realistic noisy conditions, including baseline wander, powerline interference, and EMG artifacts.\\ \textbf{Conclusions}: DCGCNet establishes a new benchmark for robust, generalizable, and noise-resilient AF detection, showing strong potential for deployment in real-world clinical environments.
Adrian Kneip, Martin Lefebvre, Daniel Gehrig +4cs.AR cs.CV
Dynamic vision sensors (DVS) are enticing candidates to reach the low-latency, sub-ms target of edge-vision applications, as they generate events with a $μ$s-level time resolution. However, using DVS front ends also calls for novel algorithm/hardware back ends capable of efficiently handling streams of sparse spatiotemporal events. While event-driven graph neural networks (EV-GNNs) have emerged as a solution on the algorithmic side that is both accurate and efficient, there is no dedicated hardware to date capable of efficiently supporting their mixed requirements of dense-regular compute operations and sparse-irregular memory accesses. We therefore introduce ETHEREAL, the first EV-GNN processor chip, capable of bridging this gap by means of a neighbor-parallel spline-convolution engine combined with a split-2D/3D memory hierarchy that introduces a novel spatiotemporal event-caching mechanism. Measurement results demonstrate a 25.6$μ$s latency and a 1.6$μ$J energy per end-to-end event-wise inference on the state-of-the art DAGr-GNN workload and VGA-resolution (640x480 pixels) DSEC dataset.
Recent advances in neural topic models with pre-trained language models (PLMs) have achieved strong performance by leveraging general-domain pre-training, yet their topic interpretability often degrades on specialized corpora. This limitation primarily stems from the geometry of the embedding space, where domain-specific terms unseen during pre-training collapse into an indistinguishable region, and neither domain-specific re-training, word-level graph enrichment, nor parameter-efficient fine-tuning can restructure this space without inheriting the capacity ceiling of the underlying encoder. Our key insight is that a learnable graph layer operating on token-level PLM embeddings can acquire corpus-specific semantic structure that the frozen encoder lacks, because token-level graphs preserve document-local context that word-level representations discard and joint optimization with the topic objective reshapes embedding geometry directly from target-domain evidence. We instantiate this insight as DARTopic, a domain-agnostic framework that constructs token-level semantic graphs from frozen PLM embeddings and jointly trains a GNN encoder with topic inference. Across three benchmarks spanning general, biomedical, and legal domains, DARTopic consistently outperforms strong baselines in topic coherence and document clus- tering without any encoder fine-tuning, while demonstrating robustness to PLM choice and favorable runtime efficiency over fine-tuning based alternatives.
Reliable global ocean forecasting is critical for climate monitoring, marine navigation, and extreme event early warning. Physics-based ocean forecasting models impose prohibitive computational costs, while existing deep learning approaches predominantly rely on structured-grid architectures, incurring unnecessary computation on masked land cells and enforcing uniform resolution across dynamically heterogeneous ocean regions regardless of local flow complexity. Here we present OceanLight, an efficient global ocean forecasting framework innovatively combining geometry-adaptive unstructured mesh tokenization with a graph neural network (GNN) backbone. OceanLight achieves pointwise forecast accuracy and kinetic energy spectral fidelity exceeding both operational numerical analyses and state-of-the-art AI-based models, while surpassing all AI-based ocean models in geostrophic balance consistency. Furthermore, OceanLight demonstrates reliable mesoscale eddy representation, capturing coherent ocean structures beyond pointwise statistical optimization. These capabilities are delivered with a 62% reduction in GPU memory consumption and 70\% reduction in FLOPs relative to structured-grid baselines. Our unstructured mesh representation establishes a generalizable paradigm for scalable data-driven oceanography.
Deep spatiotemporal models integrating graph convolutions and attention mechanisms have demonstrated excellent performance in network-level traffic flow prediction, owing to their exceptional ability to capture complex spatiotemporal dependencies. Despite their predictive success, deployment of such models in safety-critical urban systems remains constrained by their inherent lack of transparency. Existing post-hoc diagnostic methods often struggle with spurious correlations and fail to unveil the intrinsic decision-making mechanisms governing traffic dynamics, resulting in suboptimal interpretability and limited operational trustworthiness. To address these challenges, this paper proposes the Structure-Guided Spatiotemporal Attention Graph Neural Network (SGSAN). Departing from traditional architectures that rely on unconstrained adaptive graphs, SGSAN explicitly learns a static Directed Dependency Graph (DDG) to identify the invariant macroscopic propagation paths of traffic states. We further introduce an InfoNCE-based soft-coupling mechanism that anchors the model's dynamic spatiotemporal attention to this structural prior, offering a mechanistic account of the model's decision-making process while ensuring robust forecasting by aligning attention-based reasoning with identified macroscopic dependencies and preventing over-reliance on ephemeral local noise. Furthermore, a decoupled two-stage optimization framework is developed to resolve the fundamental conflict between structural discovery and predictive error minimization. Extensive experiments on multiple real-world datasets demonstrate that SGSAN achieves state-of-the-art predictive accuracy while providing built-in interpretability that organically aligns with the physical logic of traffic networks.
Macro placement significantly affects a chip's post-route performance, power, and area (PPA). Most placement methods optimize half-perimeter wirelength (HPWL) as the primary objective. However, recent benchmarking shows a near-zero correlation between HPWL and post-route timing metrics such as the worst negative slack (WNS) and total negative slack (TNS). As a result, all six evaluated artificial intelligence (AI) placers degraded PPA relative to the hierarchical baseline. Recent efforts have tried to train cross-stage predictors to close this gap. However, existing methods focus on macro-only representations and use pre-route metrics as training labels. A label fidelity study of ten circuits at four design flow stages reveals that HPWL and pre-route timing poorly reflect final post-route timing rankings. In contrast, post-global-routing achieves the best balance between final timing fidelity and label generation cost-effectiveness. Based on this finding, PPAPlace is a timing-driven differentiable surrogate predicting post-route PPA from macro and standard-cell placements. The surrogate is a dual-stream predictor that combines graph attention over the chip netlist with spatial convolution over the placement grid. It is trained on post-global-routing labels. The predicted WNS and TNS gradients flow end-to-end back to cell coordinates. PPAPlace exploits these gradients in two ways: as a co-objective injected into an analytical placer's optimization loop (PPAPlace-CoOpt), and as a post-placement refinement step that adjusts macro positions via projected gradient descent (PPAPlace-Refine). On five ChiPBench test circuits excluded from training, PPAPlace improves average WNS and TNS by 22\% and 51\% over the hierarchical baseline while preserving power and routability, using the same predictor without test-circuit retraining. Code is available at https://github.com/ValleyC/PPAPlace.
Inventory and distribution planning in Physical Internet networks requires coordinating factory-hub assignments, factory supply, lateral transshipment among collaborative hubs, retailer deliveries, and shortages. The problem combines discrete assignment decisions with interdependent continuous flows, while uncertain operating costs make robust planning more difficult. This study formulates deterministic and min-max regret models for a three-echelon network of factories, hubs, and retailers and develops a graph neural network-guided genetic algorithm (GNN-GA) for the assignment decisions. The GNN estimates hub-specific factory-selection probabilities that are used to construct the initial GA population and adapt mutation according to prediction uncertainty. Each previously unseen candidate assignment is evaluated by solving the remaining continuous-flow problem to LP optimality. Simulated annealing, a standard GA, and GNN-GA are compared on 15 instances using matched random seeds and fixed limits on distinct assignment evaluations. Because the evaluation budgets for test Instances 13-15 are smaller than the nominal population size, these experiments primarily assess the quality of learned initialization rather than multi-generation evolutionary search. A separate 400-evaluation experiment on exact test Instance 13 permits three complete offspring generations and a partial fourth pass, with GNN-GA outperforming GA in all 10 matched runs. Three independently generated exact-solvable instances provide a separate test of transfer. Ablation results show that learned initialization provides most of the improvement, while entropy-guided mutation has a smaller, instance-dependent effect. Per-instance solution times include GNN inference and search but exclude model training and one-time model setup.
With advancements in long-distance wireless power transfer (WPT) and space-based energy technologies, integrating WPT into non-terrestrial networks (NTNs), referred to as NTN-WPT, is emerging as a promising approach for next-generation wireless networks. This paper proposes an energy-scheduling approach that jointly optimizes energy efficiency, task completion rate, and task waiting time for power transfer from low Earth orbit satellites to terrestrial mobile user devices (UDs). To address scheduling challenges caused by satellite and UD mobility and channel uncertainty from stochastic propagation effects, we decompose the problem into three subproblems within a three-layer predictive framework: 1) a state prediction layer forecasts UD and satellite states; 2) an interaction mapping layer uses a graph neural network (GNN) to model energy transfer efficiency; and 3) a decision-making layer determines the energy allocation plan. Distinct machine learning (ML) methods are tailored to each layer. To balance the competing objectives, we adopt a multi-objective reinforcement learning (MORL) technique that scalarizes them into a weighted-sum reward, transforming the multi-objective problem into a tractable single-objective problem. We further introduce a multi-agent deep learning model integrating self-attention with multi-agent proximal policy optimization (MAPPO) to improve objective balancing. Simulation results show that the proposed approach achieves a better overall trade-off than baseline methods, maintaining competitive task completion rates and energy efficiency while reducing task waiting times, and remains robust under highly variable conditions.
Cognitive distortion detection is a key task in computational mental health, yet existing approaches often overlook the psychological structure of distorted thoughts. We propose MTI-GNN (Multi-Perspective Triad Interaction Graph Neural Network), which models Beck's cognitive triad---negative views of the self, world, and future---as complementary perspectives for classification. An LLM decomposes each utterance into the three perspectives, from which perspective-specific similarity graphs are constructed and encoded by a Multi-Perspective GNN. A Triad Interaction module models cross-perspective dependencies through sequential source-conditioned updates and feature-wise gating, while Prototype-Guided Perspective Fusion performs label-conditioned aggregation. Label-expanded supervision incorporates all available distortion annotations during training. We evaluate MTI-GNN on 9,764 samples from four Korean, English, and Chinese datasets spanning ten distortion categories. MTI-GNN significantly outperforms all supervised variants and exceeds eight prompted generative models under zero-shot and few-shot settings. Leave-one-perspective-out ablations show that all three perspectives contribute significantly, while human expert evaluation provides preliminary evidence of their alignment with the intended cognitive dimensions.
Dohyun Ku, Min Gu Kwak, Francisco J. Pasquel +1cs.LG
Metabolomics knowledge is distributed across heterogeneous resources and remains difficult to translate into predictive representations. We developed MetaboLLM, a metabolomics-specialized large language model adapted through continual pretraining, supervised fine-tuning, and structured retrieval, together with MetaboLLM-GIN, which converts generated biochemical descriptions into metabolite graphs for patient-level prediction using a graph isomorphism network. Across four backbone families, MetaboLLM outperformed corresponding base and medically adapted models on metabolomics knowledge, relational, and description tasks, and transferred to an external public benchmark. MetaboLLM-GIN achieved the highest AUC for stress hyperglycemia prediction after coronary artery bypass grafting (0.8616) and postmenopausal hormone-regimen classification (0.8123), outperforming conventional models, alternative graph constructions, and graphs generated from unadapted or non-retrieval LLM configurations. Model interpretation further produced biologically meaningful findings in both applications. These results show that domain-specialized language models can organize heterogeneous biochemical knowledge into predictive and interpretable metabolite graph representations.
Abdulkadir Külçe, Alihan Esen, Cağla Fikir +4cs.AI cs.CL
This paper presents ECHO (Enhanced Care \& Health Observer), a locally-deployable conversational health assistant for long-term chronic care management. ECHO integrates three complementary software modules developed under shared supervision as a unified system. The core module is an agentic chatbot built on a ReAct loop orchestrated via LangGraph, equipped with 17 clinical tools and a temporal knowledge graph for persistent cross-session memory; it achieves a 94.9\% tool-execution pass rate across a 59-scenario benchmark with GPT-5 Mini. A two-stage hybrid safety layer intercepts all incoming queries: a rule-based layer handles explicit crisis signals and jailbreak attempts in under 1ms, while a signed graph neural network (GNN) with APPNP-style propagation classifies boundary cases by clinical intent, achieving 88.8\% accuracy and 90.6\% unsafe recall on a 2,537-query annotated Turkish health dataset while outperforming zero-shot LLM baselines including Llama 3.3 70B. A multimodal speech assessment module combining Whisper acoustic encoding and BERT text encoding with cross-attention fusion estimates emotion, depression, and pain, reaching a mean macro F1 of 0.652. The full system is implemented as a web application that can run entirely on consumer hardware, with no patient data transmitted to external services, supporting compliance with GDPR and KVKK.
Hao Ding, Daniel Semchin, Paul M. Thompson +1cs.CV cs.LG
Predicting how a subcortical structure's shape will evolve from a few prior scans could support prognosis and clinical-trial enrichment. Existing longitudinal mesh predictors either extrapolate shape trajectories via high-dimensional embeddings or regress vertex deformations directly. We instead predict the surface's intrinsic geometry in continuous time: a single per-structure graph network predicts the future per-vertex first fundamental form (metric tensor) for an arbitrary causal multiple-visit history and an arbitrary prediction horizon, conditioned on a Fourier encoding of the lead time. The predicted metric is decoded into a surface by a differentiable As-Rigid-As-Possible solver, and the model is trained end-to-end on the rigid-aligned vertex error. Training through the reconstruction keeps the decoded prediction a valid surface and consistently improves it. On 14 subcortical structures from the ADNI dataset, the proposed mesh evolution model (MT-GNN) predicts best among the evaluated methods at every horizon ($-2.29\%$ mean vertex error vs. the temporal mean, $p{=}6.1{\times}10^{-5}$, beating it on 14/14 structures), ahead of geodesic shape regression (DCM, $-0.19\%$) and a mesh transformer (TransforMesh, $-0.45\%$; $p{=}1.2{\times}10^{-4}$), with the lead widening as the horizon grows.
Edoardo Coppola, Stefano Fiorini, Pietro Liò +2cs.LG
Point-of-care cardiac devices such as smartwatches and handheld ECG recorders typically capture 1--2 leads, yet existing ECG foundation models are architecturally constrained to fixed 12-lead inputs, degrading or failing under these reduced configurations. We introduce LAEF (Lead-Agnostic ECG Foundation), a 7M-parameter ECG foundation model that can natively process any lead subset without zero-padding or architectural modification. LAEF represents ECGs as variable-size spatiotemporal graphs with physiologically motivated intra- and inter-lead connectivity, processed by a Graph Attention Network that scales naturally with active lead count.Pre-trained on 9.2M 12-lead ECGs via masked node modelling with stochastic lead sampling, LAEF learns representations robust to lead configuration. Across 18 downstream datasets, LAEF is on par with specialized 12-lead baselines over 12$\times$ larger at full lead availability. Under direct point-of-care-oriented diagnostics (1--2 leads), it outperforms all zero-padded alternatives on 17 out of 18 datasets with with a single randomly sampled lead and on 14 out of 18 with 2 leads, with an average AUROC gain of +3.2 points. Representation analysis links this advantage to architectural lead-agnosticism, and a lead-importance study across 164 cardiovascular conditions shows population-level performance is stable across single standard input leads while still recovering established clinically lead-condition associations.
Lin Jiang, Dahai Yu, Ravikumar Gelli +1cs.LG cs.AI
Fine-grained energy consumption data are essential for applications such as demand forecasting, demand response planning, and grid reliability assessment. However, access to such data is often restricted by privacy concerns and data-sharing constraints, motivating growing interest in synthetic energy data generation. Although existing methods can reproduce overall consumption distributions and recurring temporal patterns, they often smooth out or underrepresent anomalous events caused by extreme weather, infrastructure failures, and behavioral shifts. Preserving these events is challenging because they are sparse, localized in time and space, and shaped by heterogeneous dependencies across geographical proximity and regional attributes. To address these challenges, we propose SynEnergy, a two-stage diffusion-based framework for anomaly-preserving energy consumption data generation. The first stage, Heterogeneous Graph-based Anomaly Semantic Learning (HG-ASL), extracts region-specific anomaly semantics from sparse residual structures by jointly modeling spatial and attribute dependencies across urban regions. The second stage, Anomaly Semantic-guided Diffusion (AS-Diff), injects the learned anomaly semantics into the denoising process to generate realistic consumption sequences while preserving anomalous patterns. This design enables controllable generation for individual regions and scales naturally to city-wide settings. We evaluate SynEnergy on four real-world energy consumption datasets against 11 general-purpose and energy-specific generation baselines. Experimental results show that SynEnergy improves anomaly preservation fidelity by an average of 12.21% and downstream quality by 2.96%, while maintaining competitive overall generation fidelity compared to baselines.
An Vuong, Chen Zhao, Jin Hu +2cs.LG cond-mat.mtrl-sci cs.AI
Stacked bilayer materials exhibit rich stacking-dependent properties driven by the interplay between strong intra-layer bonding and weak inter-layer van der Waals interactions. The computational discovery of such materials is challenging because accurate structure generation typically relies on expensive DFT-based optimization, while existing machine-learning models often fail to explicitly distinguish different interaction types during property prediction. To address these challenges, we propose a machine-learning framework for efficient construction and property prediction of stacked bilayer materials. The framework employs a MatterSim-D3-based structural optimization workflow to generate DFT-quality bilayer structures from monolayer building blocks and stacking configurations at substantially reduced computational cost. For property prediction, we introduce BDIP-Net (Bilayer Dual-Interaction Potential Network), a graph neural network that explicitly models intra-layer and inter-layer interactions through interaction-specific potential representations and adaptive message fusion. We evaluate the proposed framework on BiDB, HetDB, and SAMBA, encompassing homobilayers, heterobilayers, and twisted bilayer systems. Results show that the MatterSim-D3-based workflow closely reproduces DFT-PBE-D3 optimized structures, while BDIP-Net consistently outperforms existing graph neural network and potential-based approaches for bilayer property prediction.
Alireza Saleh Abadi, Leen-Kiat Soh, Daniel Alan Redder +2cs.AI cs.MA
Open agent systems (OASYS) are increasingly prevalent in real-world domains where the sets of agents and tasks change unpredictably over time. Such openness, including agent openness (AO) and task openness (TO), poses a fundamental challenge to multi-agent reinforcement learning (MARL), which typically assumes fixed state and action spaces. Existing methods address openness only partially: padding and masking approaches introduce artificial bounds, while recent graph-based or hypergraph methods handle one dimension of openness but still depend on restrictive assumptions. In this paper, we introduce Pointer Learner for Agent and Task Openness (PLATO), a pointer-network-based actor combined with a centralized graph neural network (GNN) critic, trained with multi-agent proximal policy optimization under a centralized training and decentralized execution paradigm. Our pointer-based actor outputs distributions directly over the current task set. This directly supports changing action spaces without masking or retraining. Our GNN critic encodes agent-task interactions as a graph that changes shape with task and agent composition. Together, these components consider AO and TO without the boundedness of existing approaches. We formalize PLATO in a Task-and-Agent-Open Markov Game (TaAgO-MG), extending prior task-open formulations, and prove it is well-defined over the resulting unbounded state and action spaces. We evaluate PLATO with the Methods for Open Agent Systems Evaluation Initiative (MOASEI) wildfire suppression domain, an environment designed for open multi-agent system evaluation, and we demonstrate strong performance and more consistent zero-shot generalization than state-of-the-art baselines in OASYS.
Amirhossein Nouranizadeh, Sarang Rajendra Patil, Alan John Varghese +3cs.LG cs.AI
Scientific machine learning methods such as neural operators and physics-informed neural networks have advanced engineering applications and inverse problems, but their training typically requires large volumes of simulated data. This makes data preparation and model training expensive. We propose Graph Wavelet Compressed Sensing (GWCS), a learning-based framework for offline compression of graph signals by representing them as sparse, interpretable wavelet-domain representations using the spectral graph wavelet transform. The framework combines a nonparametric multilevel importance sampler, which retains high-energy wavelet coefficients within each scale for a given compression ratio, with a scale-aware graph neural network that reconstructs the signal from the sparse coefficients. We evaluate the proposed framework on synthetic approximately band-limited graph signals over random graphs and four PDE simulation datasets over meshes, which include Turbulent Radiative Layer, Viscoelastic Instability, Kolmogorov Flow, and Dynamic Stall. We compare against graph signal sampling methods and graph autoencoder baselines. Results demonstrate that the framework achieves high reconstruction fidelity and substantial data compression compared to existing benchmarks.
Dynamic manufacturing environments require multi-agent systems to coordinate effectively under frequent operational disturbances such as machine failures, urgent job arrivals, and processing time variations. Existing multi-agent reinforcement learning approaches treat each disturbance episode independently, discarding valuable coordination experience that could accelerate future adaptation. In this paper, we propose a Graph-Structured Experiential Memory (GSEM) framework for multi-agent coordination in dynamic manufacturing. The framework encodes historical coordination episodes as heterogeneous relational graphs that capture task dependencies, machine states, and inter-agent collaboration patterns. When a new disturbance occurs, a graph neural network-based retrieval mechanism identifies structurally similar past episodes, enabling experience-guided policy adaptation rather than learning from scratch. Experiments on dynamic flexible job-shop scheduling benchmarks with three disturbance types show that GSEM reduces makespan by 4.1%-10.0% and adaptation time by 33%-38% compared to the strongest memory-augmented baseline, with the advantage increasing under higher disturbance frequency. Ablation studies and cross-disturbance transfer experiments further validate the necessity of graph-structured encoding and similarity-based retrieval and demonstrate the cross-disturbance generalizability of learned coordination patterns.
3D Gaussian Splatting (3DGS) and recent compression schemes such as HAC++ enable high-fidelity real-time neural rendering, but their bitstreams are fragile under packet loss during network streaming. Existing compression methods often separate correlated anchor attributes into independent streams, so losing one packet can create attribute-inconsistent broken anchors and severe rendering artifacts. We propose a packet-loss robust 3DGS transmission and error concealment framework. On the encoder side, anchor-level atomic packaging jointly encapsulates all attributes of each anchor, converting corrupted-attribute failures into clean missing-anchor erasures. Stratified random grouping further disperses packet losses across the spatial domain to avoid large contiguous voids. On the decoder side, we formulate recovery as prior-aware attribute inpainting. A Context-Aware Residual Interpolation (CARI) branch uses hash-grid prior predictions and neighboring residuals to build a robust baseline, while a lightweight two-layer graph neural network with cross-attention over hash-grid priors refines high-frequency attribute residuals. Attribute-wise confidence control falls back to interpolation when learned predictions are unreliable. Experiments under 20 percent random packet loss on BungeeNeRF, Mip-NeRF 360, and Tanks and Temples show that the proposed method substantially improves over no-concealment transmission and limits average PSNR degradation to about 3 dB relative to the lossless HAC++ reference.
Translating unstructured clinical prescriptions into patient-specific foot orthoses (FOs) is hindered by a semantic-physical misalignment: high-level clinical intent is not mapped deterministically onto the 3D geometric parameters of the orthosis, and existing design workflows remain dependent on manual expertise with no instantaneous biomechanical validation. We present TANS-FO, a research prototype-a modular pipeline with closed-loop feedback for computational design automation of customized FOs, not a clinically validated therapeutic device. A Text-Aligned Neural Surrogate (TANS) uses cross-attention to project clinical-text embeddings onto a continuous lattice-density field, while a Graph Neural Network (GNN) surrogate predicts plantar stress in real time as a substitute for Finite Element Analysis (FEA). The framework is anchored on the open-access PicoFoot-5K anthropometric database (5,230 subjects; 30+ anatomical parameters). Under standardized quasi-static loading, the GNN surrogate agrees with an Abaqus reference solver (R^2 = 0.94), and the full pipeline synthesizes manufacturing-ready lattice insoles within minutes. On the Male 18-40 cohort, the proposed system attains a surrogate-predicted peak-pressure reduction of 34.7% over parametric CAD, with a fit error of 0.42 mm. Separately, an exploratory feasibility observation (n = 12; 2-week follow-up; no control group) using VAS pain reporting indicates short-term comfort improvement (VAS 6.4 -> 2.1), but this data is explicitly classified as preliminary observational evidence only-not evidence of clinical efficacy.
Spatially resolved omics studies increasingly combine transcriptomic and epigenomic assays, yet downstream analysis is often still performed using single-modality pipelines. We present LATTICE (Latent Alignment of Tissue-level and Transcriptomic Information for Cross-modal Embedding), a graph-based self-supervised framework that learns spot-level representations from harmonized multimodal features. LATTICE integrates five aligned modality blocks per Visium spot: Visium RNA, scMultiome RNA, scMultiome ATAC, spatial ATAC, and spatial CUT\&Tag. These modalities capture spatial transcriptomic measurements, single-cell inferred regulatory activity, and in situ chromatin and histone states within a unified lattice representation. LATTICE constructs a spatial neighborhood graph and trains a TransformerConv encoder using masked reconstruction, cross-modal alignment, and spatial smoothness objectives. On a private 11-sample melanoma cohort from an anonymized clinical collaborator comprising 54{,}912 total spots, LATTICE demonstrated stable optimization behavior, reproducible embeddings across analysis seeds, and complete multimodal integration across all samples. Adding scMultiome RNA to Visium RNA alone substantially improved concordance with Space Ranger clusters across 11 runs (adjusted Rand index [ARI] +0.157, normalized mutual information [NMI] +0.143, and spatial contiguity +0.174). Additional modalities further improved spatial contiguity and multimodal utility score (MUS), although they sometimes reduced agreement with RNA-derived reference labels, likely because the learned embeddings captured chromatin and regulatory structure beyond transcriptomic similarity alone. These results position LATTICE as a practical and empirically grounded framework for multimodal spatial omics integration, while also highlighting the need for stronger supervision and broader external benchmarking.
Li Xiao, Tianyu Li, Yiye Zou +2cs.LG physics.flu-dyn
Industrial design in fields such as vehicle and aerospace engineering often relies on large-scale numerical simulations to evaluate fluid dynamics performance, which can incur substantial computational costs. Deep neural networks have shown promise in improving simulation efficiency, especially graph neural networks (GNNs), which demonstrate great potential due to their flexibility with unstructured data. However, GNNs face challenges when dealing with tasks involving complex geometries and large-scale meshes. In this paper, we propose the Multi-scale Feature Enhanced Graph Neural Network (ME-GNN) to tackle these challenges. ME-GNN employs a graph neural network with a two-step message-passing mechanism to capture detailed local features effectively. Additionally, it integrates an Attention U-Net with uniform grid discretization, enabling the extraction of both fine and coarse features. The model also utilizes K-hop sampling to construct subgraphs, facilitating efficient training on large datasets while preserving detailed local features. We evaluated ME-GNN on three benchmark datasets and achieved state-of-the-art results: a relative L2 error of 0.0196 for the velocity field and 0.0556 for the surface pressure on ShapeNet-Car, a normalized mean squared error of 0.0033 for the flow field on AirfRANS, and a relative L2 error of 0.1416 for the surface pressure on DrivAerNet.