Multimodal Graph Learning

Latest papers 60

Sep 29, 2026cs.CL

RAEGNet: Relation-Aware Evidence Graph Network for Harm-Aware Multimodal Fake News Detection

Existing multimodal fake news detection methods often introduce external information to assist detection. However, most of them rely on entity-level retrieval and are therefore prone to introducing event-irrelevant noise. Meanwhile, existing methods mainly focus on improving overall performance and do not account for differences in the degree of harm posed by different instances of fake news. To address these limitations, we design an Event-Level Evidence Retrieval Framework (ELERF) and propose a Relation-Aware Evidence Graph Network (RAEGNet). ELERF retrieves external evidence based on the complete event semantics of a news item. RAEGNet constructs a directed graph that incorporates news-evidence stance relations and evidence-evidence interaction relations, and introduces a conditional-harm branch to jointly model authenticity and potential harm. Experimental results demonstrate that RAEGNet outperforms multiple baseline methods across all evaluated metrics on Weibo-21, Fakeddit, and our self-constructed SSS dataset.
Sep 27, 2026cs.LG

GraphSelect for Budgeted Representation Selection in Multimodal Graph Inference

Multimodal graph predictors combine text, images, and relations to classify connected entities. How much of this input is needed to preserve their predictions? We study budgeted representation selection, which chooses a subset of candidate text and image vectors under a separate capacity for each modality. Predictions from the complete candidate input define the classes to preserve. The challenge is that a representation's contribution depends on the other selected inputs, while graph propagation extends its effects across nodes. Our empirical study shows that candidate rankings change with the selected input, while predicted probabilities remain informative after the class stops changing. Updating scores improves selection, and exchanging inputs can improve a subset whose capacity is already filled. These findings lead to GraphSelect, which starts from individual candidate gains and refines the subset through jointly evaluated exchanges. It screens promising removals and additions, accepts an exchange when it reduces the prediction loss, and updates the scores. Experiments on six graphs show higher mean objective recovery than six attribution and explanation methods adapted to the selection task. Across nine trained architectures on two graphs, retaining 20% of the candidate representations per modality gives a mean accuracy drop of 0.10 percentage points relative to full candidate input, preserving classification performance with substantially fewer text and image representations.
Sep 24, 2026cs.LG

ICE: Task-Aligned Clifford Latent Fields for Multimodal Graph Foundation Models

Multimodal attributed graphs connect entities, visual content, language, and observed relations. Learning one foundation across such graphs requires more than compressing each node into a fused Euclidean vector. The representation must preserve entity semantics, construct interaction state from graph neighborhoods, and expose that state to prediction units with different geometry. Our empirical study shows why these requirements are inseparable. Higher-grade channels recover pair relations across the foundation graphs, specialized queries reveal information hidden by a generic readout, and rigid blade isolation removes cross-grade capacity. We therefore introduce ICE (Interaction-aware Clifford Encoder), a multimodal graph foundation model built on a node-indexed Clifford latent field. Topology, text, and images enter explicit Cl(3) addresses. Edge-aware geometric products transform these directions into scalar, bivector, and trivector relations over observed neighborhoods. A protected Grade-1 route preserves entity semantics, while the full grade and depth bank remains available to fresh node and link heads. We establish exact cross-grade reachability, node-permutation equivariance, and a bound on the task residual around the semantic score. Experiments span one shared foundation over eleven graphs, six node-classification datasets, three link-prediction datasets, and matched few-shot tasks. ICE ranks first in all 30 reported supervised and few-shot comparisons. Core removals reduce every task summary, and mechanism controls connect the gains to higher-order transport, retained multidepth structure, semantic protection, and direct field access.
Sep 23, 2026cs.LG

SMILESGNN: Interpretable Clinical Toxicity Prediction via SMILES-Graph Cross-Attention Fusion

Drug toxicity prediction is critical for reducing late-stage attrition in drug discovery, yet remains challenging due to severe class imbalance, scaffold-based generalization, and the clinical need for interpretable predictions. Single-modality approaches-SMILES Transformers or graph neural networks capture complementary aspects of molecular structure, while sequence-only models cannot directly provide graph-attributed explanations. We present SMILESGNN, a multimodal architecture that fuses a SMILES Transformer encoder and a GATv2 graph encoder via cross-attention, and SMILESGNN-PT, a variant using a ChemBERTa-2 pretrained backbone. The design retains an explicit graph branch within the predictive pipeline, supporting GNNExplainer-based analysis of substructures associated with toxic predictions. On ClinTox, SMILESGNN achieves AUC-ROC 0.987 and F1 0.906 with only 0.4M parameters, performing competitively with a strong SMILESTransformer and a larger ChemBERTa-2/GATv2 concat-fusion baseline. On Tox21 (12 tasks), SMILESGNN-PT obtains mean AUC-ROC 0.750, comparable to ChemBERTa-2 alone and the same-backbone concat-fusion baseline. Overall, the results suggest that cross-attention is a practical fusion alternative that preserves competitive predictive performance while enabling graph-based interpretability support.
Sep 15, 2026cond-mat.mtrl-sci

Robust and Efficient AI Frameworks for Scalable Material Design and Property Prediction

This thesis develops robust and efficient AI frameworks for accelerating crystalline materials discovery by addressing both major stages of the materials-design pipeline: crystal property prediction and crystal structure generation. Motivated by the high computational cost of Density Functional Theory (DFT) and the limited availability of labeled materials data, the thesis explores graph representation learning, pretraining, multimodal learning, and generative modeling for scalable materials design. For property prediction, the thesis first introduces CrysXPP, which learns transferable crystal representations through unsupervised graph autoencoding, reducing dependence on large property-labeled datasets. It then proposes CrysGNN, a large-scale self-supervised graph pretraining framework that captures atomic connectivity, chemical attributes, and global structural information and transfers this knowledge to downstream property predictors through knowledge distillation. CrysMMNet further enriches crystal representations by jointly modeling graph structure and textual descriptions, thereby incorporating both local chemical and global structural knowledge. For crystal generation, the thesis introduces TGDMat, a text-guided joint diffusion framework that jointly models lattice parameters, atomic types, and atomic coordinates while incorporating textual structural knowledge during denoising. This enables the generation of more valid and stable periodic materials while also supporting conditional generation from natural-language descriptions. Overall, the thesis establishes a unified AI-based framework for data-efficient property prediction and controllable crystal generation, demonstrating how graph learning, multimodal representations, and generative models can reduce computational cost and improve the scalability of materials
Sep 3, 2026cs.SI

When Vision Meets Graphs: A Survey on Graph Reasoning and Learning

Graphs are a fundamental data structure underlying many problems in the natural and social sciences. Over the past decade, Graph Neural Networks (GNNs) have dominated graph machine learning, supported by solid theoretical foundations. Yet scientists often understand graph structure through vision: chemists read molecular diagrams and social scientists inspect network visualizations. Despite decades of work on graph visualization, most graph learning pipelines still treat graphs purely as symbolic structures, rarely leveraging the visual form of graphs. We argue that this gap deserves renewed attention in the era of powerful vision and vision-language models. This survey provides a first systematic overview of the emerging area we term vision meets graphs, which treats visual depictions of graphs as first-class inputs for reasoning and learning. We organize existing work into three threads. Vision for Graph Reasoning studies how models can use visual depictions of graphs to understand structure and carry out multi-step reasoning. Vision for Graph Learning explores how visual features can complement or augment graph encoders beyond known limitations of message passing. Scientific Graphs examines domains where standardized depiction conventions support both reasoning and learning. Our goal is to clarify what current methods can and cannot do, and to outline a path toward foundation models that perceive and reason about graphs as scientists do.
Aug 5, 2026cs.LG

EvtGraph: Event-Adaptive Compression for Sparse Temporal Graph Learning in Multimodal Time Series

Multimodal temporal data are inherently irregular and uneven in information density, yet most models rely on uniform discretization, leading to inefficient representations. We propose \textbf{EvtGraph}, a unified framework that aligns computation with temporal salience under explicit budget constraints. EvtGraph reparameterizes sequences into event-level tokens via event-adaptive compression (EAMC), selects a compact subset with a node budget (NBC), and performs temporally constrained sparse graph reasoning (T2SG). This transforms dense sequences into structured computation over salient events, reducing complexity while preserving critical transitions. We show that this design provides a practical mechanism for allocating representational capacity under a fixed budget, yielding a consistent performance--efficiency trade-off, where a small budget is often sufficient in practice. Experiments on multimodal clinical (MIMIC-IV + CXR) and cross-domain benchmarks demonstrate that EvtGraph outperforms both Transformer-based and recurrent baselines while significantly improving efficiency. These results suggest that budget-constrained event-centric representation provides a general paradigm for learning from high-redundancy temporal data.
Aug 3, 2026cs.LG

PatTree: a novel approach for automated creation of multimodal, graph-based patient representations for medical classification tasks

Access to holistic, multimodal data improves the performance of Artificial Intelligence (AI) in medical classification tasks compared to utilizing single modalities or data sources. However, the inherent heterogeneity and complexity of clinical real-world data pose significant challenges to structured data analysis and AI application. This heterogeneity includes missing values, multiple time points, diverse modalities, and inconsistent formats and semantics. Data harmonization prior to data integration tackles this challenge but remains resource-intensive and error-prone, limiting the scalability and reproducibility of holistic, AI-driven decision support on clinical real-world data. We therefore propose PatTree, a graph-based, holistic representation of patients that can be derived from real-world clinical data through the automated structuring of multimodal clinical data. PatTree enables early-stage data integration without relying on pre-standardized inputs. While representing heterogeneous clinical data within a unified knowledge graph, PatTree preserves the semantic relationships between data elements across modalities and data sources, facilitating interoperability and machine-interpretable data access. Using a subset of the ADNI-1 cohort (n = 763), we demonstrate that classification of patients is directly feasible on PatTree reaching state-of-the-art classification performance. In the three-class classification task distinguishing Alzheimer's disease, mild cognitive impairment, and cognitively normal individuals, we achieve a balanced accuracy of 98.5% and an F1_1 score of 0.987 on the held-out test set. Our results show that assumption-free, automated structuring of multimodal medical data can serve as a scalable foundation for clinical AI pipelines bypassing tedious data preparation and standardization.
Aug 1, 2026cs.LG

Towards Effective Federated Multimodal Graph Learning via Navigating Multifaceted Heterogeneity

Multimodal-attributed graphs (MAGs), where nodes carry heterogeneous semantic content across multiple modalities while edges encode relational dependencies, have been widely adopted across diverse domains. Federated multimodal graph learning (FMGL) extends federated graph learning (FGL) to MAGs, enabling collaborative optimization across decentralized MAGs without exposing raw data. However, naively applying existing FGL methods to FMGL is insufficient, as they fail to navigate the multifaceted heterogeneity inherent in decentralized MAGs, including task heterogeneity across diverse client objectives, modality heterogeneity from discrepant modality quality and semantic domains, and topology heterogeneity arising from divergent topological patterns with low cross-modality correlation. To address these challenges, we propose Federated multimodal graph learning with Topology-aware Cross-modal Routing (FedTCR), the first systematic algorithm designed for FMGL. To handle task heterogeneity, FedTCR employs a two-stage paradigm that comprises federated task-agnostic pre-training followed by isolated task-oriented fine-tuning. To jointly address modality and topology heterogeneity, FedTCR introduces a topology-aware cross-modal routing mechanism. Concretely, each client distills modality-specific knowledge into compact prototypes via topology-aware importance-weighted aggregation informed by graph structure; the server then evaluates cross-client cross-modal relationships among these structure-informed prototypes and routes informative ones as contrastive references, driving a tri-level cross-modal contrastive learning scheme that jointly aligns cross-client modalities while preserving discrimination. Experiments across 7 domains demonstrate that FedTCR outperforms state-of-the-art baselines on both graph-centric and modality-centric tasks.
Jul 30, 2026cs.LG

MMFGU: Multimodal Federated Graph Unlearning

Multimodal federated graph learning enables clients to collaboratively train graph models over structural, textual, and visual signals without sharing private local data. However, the presence of heterogeneous multimodal content also makes unlearning requests more frequent and fine-grained: users may delete accounts or interactions, remove a particular image or text while retaining the associated entity, or revoke the learned correspondence between retained modalities or graph attributes. Existing federated graph unlearning mainly handles entity/relation or client removal and cannot directly satisfy these multimodal requests. They introduce three challenges: removing only the requested information without damaging retained content, preventing the target from being recovered through remaining modalities or graph neighborhoods, and stopping related traces on other clients from re-entering the global model after aggregation. To address them, we propose \textsc{\textbf{MMFGU}}, a multimodal federated graph unlearning framework built around target-specific representation decoupling. \textsc{MMFGU} maps heterogeneous requests into unified target carriers, decouples requested representations while anchoring retained semantics, exposes and repairs propagated residuals with lightweight probes, and selectively purges affected clients through compact prototype and response signals. Experiments show that \textsc{MMFGU} effectively removes requested information, preserves retained graph utility, and achieves a 41.5×\boldsymbol{41.5\times} speedup over full retraining.
Jul 30, 2026cs.AI

HyperClaim: Fine-Grained Cross-Modal Hypergraph Reasoning for Video Misinformation Detection

Video misinformation detection is often approached through global multimodal fusion or free-form multimodal reasoning. Both paradigms can under-represent localized authenticity cues that arise from coupled interactions among query phrases, contextual text, and short temporal spans of frames. Because such interactions are inherently higher-order, pairwise graph formulations are insufficient to capture multi-way cross-modal dependencies, whereas hypergraphs offer a suitable representation for these relations. We propose HyperClaim, a discriminative temporal hypergraph framework for sample-level authenticity classification. Using the title or benchmark-provided paired text as a claim-like query, HyperClaim constructs a sparse heterogeneous hypergraph over query tokens, evidence tokens, and sampled frames; applies confidence-aware filtering and source budgeting to form compact text-frame and short-range temporal evidence units; performs adaptive soft-incidence reasoning with residual text-video calibration; and aggregates textual, visual, and hyperedge states through a discrepancy-aware readout. Without relying on generated rationales or external tool calls, HyperClaim preserves fine-grained cross-modal and temporal structure that global fusion tends to flatten. Under the FactGuard temporal protocol, it achieves 83.7%, 82.0%, and 87.3% accuracy on FakeSV, FakeTT, and FakeVV, respectively, outperforming strong discriminative and reasoning-centric baselines. Learned incidence and attention weights further reveal token- and frame-level structure.
Jul 30, 2026cs.LG

FedOGL: Combating Catastrophic Forgetting in Federated Open-World Multimodal Graph Learning

Federated graph learning enables collaborative training over decentralized graph data without sharing raw graph information. As such risks evolve, clients must learn emerging classes from private multimodal graph streams, retain historical categories, and reject samples outside the known class space. In this setting, clients must learn emerging classes from private multimodal graph streams while preserving historical categories and rejecting samples outside the current known class space. The core challenge is catastrophic forgetting, which in federated multimodal graphs is not merely a classifier-level failure: old knowledge can be erased through modality-semantic overwriting, topology-induced structural erosion, and federated memory fragmentation. To address this challenge, we propose \textbf{FedOGL}, a semantic-structural memory preservation framework. On the client side, FedOGL preserves historical decision behavior through replay and task-start distillation, while protecting graph-propagation memory via projection onto a globally shared structure basis. On the server side, FedOGL maintains and transfers compact category prototypes to facilitate cross-client knowledge sharing without exposing raw graph data. Extensive experiments demonstrate that, compared with the best-performing baselines, FedOGL reduces performance degradation caused by catastrophic forgetting by \textbf{42.67%}, while maintaining or improving performance on downstream tasks.
Jul 29, 2026cs.CL

Dual-Path LLM Reasoning for Multimodal Few-Shot Knowledge Graph Completion

Knowledge graph completion (KGC) aims to infer missing facts in knowledge graphs (KGs), thereby improving their completeness and supporting downstream intelligent applications. However, emerging entities and relations in real-world deployments make inductive KGC difficult, especially under few-shot and zero-shot settings. Multimodal information and Large Language Model (LLM)-derived priors can enrich sparse relational contexts, but they may also introduce noisy or hallucinated evidence. To address these issues, we propose DuPLeR, a \textbf{Du}al-\textbf{P}ath \textbf{L}LM \textbf{R}easoning framework for multimodal few-shot KGC. DuPLeR builds a calibrated relation graph by combining multimodal LLM-derived type priors with factual support structures, and performs dual-level structural reasoning over the refined relation topology. Moreover, a dual-pathway multimodal enhancement module regulates message passing with query-relevant multimodal signals and supplements entity representations after graph propagation. Experiments on eight inductive variants of two multimodal KG (MMKG) benchmarks show that DuPLeR achieves robust performance in data-scarce KGC scenarios.
Jul 28, 2026cs.AI

CHARM: A Multimodal Graph Foundation Model with Hierarchical Context Modeling for Zero-Shot Transfer

Graph foundation models (GFMs) have emerged as a promising paradigm for transferring knowledge across graph domains and tasks. Real-world graphs associate nodes with text, images, and other modalities, making multimodal graphs essential for representing complex entities and relations. Moreover, collecting labels and adapting models for every new graph domain is costly and often infeasible, motivating zero-shot transfer. Unfortunately, zero-shot transfer on multimodal graphs remains underexplored. Existing GNN-based graph foundation models typically require downstream adaptation, whereas LLM-based graph methods mainly address unimodal graphs or tasks within a single domain. This setting presents two key challenges. First, models must generalize knowledge from individual modalities while capturing transferable cross-modal relations. Second, without target-domain fine-tuning, node representations remain entangled with domain-specific structures and modality-specific characteristics, obscuring shared concepts in unseen domains. To address these challenges, we propose CHARM, a multimodal graph foundation model with hierarchical context modeling for zero-shot transfer. CHARM replaces isolated raw nodes with hierarchical graph contexts that capture multimodal semantics and cross-modal relations. These contexts map domain-specific node patterns to shared high-level concepts, reducing reliance on target-domain supervision or adaptation. A modality-aware graph context encoder integrates multimodal information with graph structure and converts the resulting representations into graph tokens for a large language model . Experiments show consistent improvements on zero-shot multimodal graph tasks.
Jul 21, 2026cs.LG

One Model, Many Graphs: Learning over Attributed Graphs across Heterogeneous Modalities with Vision-Language Models

Vision-language models (VLMs) provide a unified representation space for textual and visual information, yet their potential as general-purpose backbones for graph-structured data remains largely unexplored. In practice, attributed graphs exhibit substantial modality heterogeneity: some graphs contain only textual node attributes, others only visual attributes, while still others provide both. Existing graph learning approaches are typically designed for fixed modality schemas, requiring separate models for different settings and limiting scalability and cross-graph generalization. To bridge this gap, we present OMG-VLM (One Model, Many Graphs with Vision-Language Models), a unified framework for learning over attributed graphs across heterogeneous modality schemas. OMG-VLM leverages a pretrained VLM as a shared backbone and introduces structure-aware graph adapters that integrate neighborhood information while remaining compatible with the VLM's native embedding space. This design enables effective learning over text-attributed, image-attributed, and multimodal-attributed graphs within a single model. Extensive experiments across diverse domains show that OMG-VLM consistently outperforms state-of-the-art GNN- and LLM-based baselines on attributed graph learning tasks such as node classification and link prediction, while exhibiting strong generalization to unseen graphs and varying modality schemas. The source code is available at https://github.com/Jo-eyang/OMG-VLM.
Jul 17, 2026cs.CV

HCIG: A Hierarchical Cross-Modal Incongruity Graph Network for Multimodal Sarcasm and Cyberbullying Detection

Multimodal sarcasm and cyberbullying detection remain challenging because the intended meaning often emerges from incongruity between textual and visual information rather than from either modality alone. Existing multimodal approaches primarily rely on feature fusion or cross-modal attention, which may not effectively capture hierarchical semantic inconsistencies across different levels of representation. To address this limitation, this paper proposes HCIG (Hierarchical Cross-modal Incongruity Graph Network), a novel framework that models cross-modal incongruity at token, phrase, and global levels using graph attention networks and adaptively integrates these representations through a learned hierarchical attention mechanism. As a complementary architecture, we also introduce GCCN (Graph-based Cross-modal Contradiction Network), which performs graph-based reasoning using contradiction-aware pooling for efficient multimodal interaction learning. The proposed models are evaluated on the MMSD sarcasm benchmark and the MultiBully cyberbullying dataset, together with comprehensive ablation studies and cross-task transfer experiments. Experimental results demonstrate that HCIG achieves the best performance on MMSD with 85.74% accuracy and 85.29% macro-F1, while GCCN attains the highest macro-F1 (68.66%) on MultiBully and HCIG achieves the highest accuracy (69.62%) and bullying-class F1 (74.90%). The findings demonstrate that hierarchical multi-granularity incongruity modeling provides more effective multimodal reasoning than conventional fusion strategies, offering a robust framework for sarcasm and cyberbullying detection in social media.
Jul 17, 2026cs.LG

Toward Federated Multimodal Graph Foundation Models: A Topology-Aware Multimodal Alignment Framework

Multimodal-attributed graphs (MAGs), whose nodes carry modalities such as images and text alongside topological structure, now pervade applications including social platforms, e-commerce, and biomedical networks, offering richer semantic signals than single-modality graphs. In practice, such graphs are fragmented across privacy-restricted silos owned by different platforms and institutions, so learning a broadly transferable model over them demands collaborative training that never exposes raw data. This places the task at the intersection of multimodal graph learning and federated learning, yet existing methods cover only one side of it. To address the challenges from these two perspectives, we propose FedGAMMA, casting federated multimodal graph foundation learning as a two-stage semantic-structural alignment problem of federated pre-training and prompt-based fine-tuning. During pre-training, a shared-private semantic enhancer disentangles cross-modal commonality from modality-specific information, aligning it through optimal transport, a topology-aware graph fusion module decouples semantic and structural views via semantic residual graphs and dual positional encodings, and a dual-channel affinity-aware aggregation mechanism estimates client similarity from feature and graph centroids without exposing raw data. During fine-tuning, FedGAMMA adapts the pretrained encoder through lightweight graph-aware prompts, a shared prompt pool with controlled exploration, and channel-wise prompt synchronization. Experiments on twelve multimodal graph datasets show FedGAMMA consistently surpassing a broad range of baselines across downstream tasks, with gains of up to 12.96%. FedGAMMA further outperforms competitive baselines accross multi-domain datasets on multiple tasks with up to 5.71% under few-shot learning scenario.
Jul 10, 2026cs.LG

TSAI-MetaFraud: A Benchmark Dataset for Financial Fraud Transaction and Behavioral Risk Detection in Metaverse Ecosystems

The emergence of metaverse platforms has created virtual economies that introduce new challenges related to fraud, bot activity, and illicit financial behavior. Despite growing interest in trustworthy metaverse analytics, existing datasets typically focus on user behavior, authentication, or financial transactions in isolation, limiting the development and reproducible evaluation of multimodal fraud detection methods. To address this gap, we present TSAI-MetaFraud, a multimodal, multi-task benchmark dataset for fraud analytics in virtual economies. TSAI-MetaFraud integrates behavioral, transactional, and graph-structured information while incorporating realistic fraud and automated bot scenarios. We define benchmark tasks including transaction fraud detection, cross-modal node classification, temporal link prediction, and weakly supervised fraud detection, and provide baseline evaluations using machine learning models and graph neural networks. By jointly capturing behavioral activity, financial interactions, and relational structure within a unified virtual economy, TSAI-MetaFraud provides a benchmark for advancing multimodal learning, graph mining, fraud analytics, and trustworthy AI in emerging metaverse ecosystems.
Jul 8, 2026cs.CV

Time Imprint: Learning Time-Aware Representations in Multi-Modal Knowledge Graphs

Multi-Modal Knowledge Graphs (MMKGs) enrich entities with multiple modalities such as text and images, yet entities with highly similar multi-modal features remain difficult to distinguish. Temporal information of an entity can serve as an additional modality to disambiguate such entities, but existing approaches rarely treat time as a separate modality alongside text and images due to two major challenges: (1) sparse temporal semantics, which hinder alignment with richer modalities, and (2) multiple timestamps, which introduce noise or reduce robustness in representation learning. To address these challenges, we propose Time Imprint, a framework that treats time as an entity-level modality and jointly aligns temporal, textual, and visual representations via a three-view contrastive objective. Additionally, to mitigate multi-timestamp ambiguity, Time Imprint studies a compact timestamp subset selection design space and aggregates the selected timestamps into a discriminative temporal embedding with attention pooling, balancing temporal specificity and robustness. Experiments on three MMKG benchmarks demonstrate that Time Imprint achieves state-of-the-art link prediction performance, improving Hits@1 by up to 6.07% overall and yielding up to 58% gains on the subset of the top-1% ambiguity samples. We further examine different fusion strategies and the sensitivity to timestamp availability and quality, clarifying when and why time-as-modality is most beneficial, while adding only modest training overhead. We release our code at https://anonymous.4open.science/r/Time-Imprint.
Jul 8, 2026cs.LG

Latent graph encoding of multimodal neuroimaging features with generative AI architectures

While generative models enable encoding of complex neuroimaging data for feature generation and reconstruction, developing optimal architectural frameworks with appropriate encoding and latent space processes is crucial for studying structural and functional properties of the brain. We design a multimodal generative framework for structural and functional magnetic resonance imaging (MRI) features through systematic evaluation of encoding strategies, latent multimodal fusion, and generative model selection. Using structural gray matter volume (GMV) and static functional network connectivity (sFNC) features from a large neuroimaging dataset, we analyze generative frameworks involving variational autoencoders (VAEs), transformers, generative adversarial networks (GANs), and diffusion models. Architectures that employ modality-aware graph encoding of functional connectivity into a lower-dimensional latent space outperform vectorized encoders or direct data space approaches. The proposed multimodal graph VAE (gMMVAE) surpasses alternative generative variants across multiple metrics for generation fidelity, reconstruction quality, efficiency, and latent space discriminability, highlighting its potential for robust multimodal neuroimaging analysis.
Jul 7, 2026cs.LG

Canopy: A Heterograph Foundation Model for Metabolic Engineering

Designing microbial strains that produce high-value chemicals at commercially viable titers remains a central challenge in metabolic engineering. Existing computational approaches either rely on stoichiometric constraint-based models that cannot learn from experimental data, or apply tabular machine learning to hand-crafted features that discard the relational structure of biological knowledge. We present Canopy, a heterogeneous graph foundation model that integrates ten public and proprietary data sources into a unified knowledge graph (KG) of 6.9M nodes across 13 types and 34 edge types, covering genes, proteins, metabolites, reactions, pathways, strains, and fermentation experiments. Node features are encoded through domain-specific foundation models (ESM-2 for protein sequences, MoLFormer for chemical SMILES, and PubMedBERT for biomedical text), yielding a multi-modal representation within a single graph. We pretrain a Heterogeneous Graph Transformer (HGT) augmented with SignNet positional encodings, Jumping Knowledge aggregation, and virtual nodes using four self-supervised objectives (link prediction, masked node modelling, distance prediction, and contrastive experiment clustering), balanced via learned homoscedastic uncertainty weighting. On the downstream task of fermentation titer prediction, frozen Canopy embeddings achieve R2=0.41R^{2} = 0.41 with a lightweight probe, outperforming tabular baselines (best R2=0.24R^{2} = 0.24) and homogeneous GNN variants.
Jul 6, 2026cs.CV

Causal-RetiGraph: Cross-Cohort Retinal Support and Same-Subject Pathway Analysis for Diabetic Retinopathy

Diabetic retinopathy (DR) is a local retinal lesion process and a visible manifestation of systemic microvascular injury. Modern retinal AI can grade images accurately, but often leaves unanswered how local lesion evidence, retinal vascular structure, and systemic disease pathways are connected. This paper introduces \emph{Causal-RetiGraph}, a compact biomedical informatics framework that links retinal graph phenotypes with NHANES-anchored pathway modelling. The retinal-image fold constructs an interpretable X1234X1234 phenotype from vessel maps, lesion evidence, image embeddings, and AutoMorph biomarkers through spatial X12X_{12} and Jacobian X34X_{34} branches. The NHANES fold models systemic exposures, covariates, a same-subject retinal mediator family R∗R^*, and downstream outcome families. X1234X1234 is used for retinal support and pathway prioritisation, while R∗R^* is used for participant-level pathway summaries. On the retinal fold, X1234X1234 achieves 0.9055 binary DR accuracy and 0.9711 AUROC, with graded DR QWK of 0.8312. The results show that lesion and biomarker streams improve contextual retinal representation under scarce and imbalanced data. In NHANES, HbA1c, urine albumin, pulse pressure, fasting glucose, and systolic blood pressure are the strongest binary DR anchors. Participant-level pathway analysis identifies glycaemic--renal and glycaemic--haemodynamic pathways as the clearest mediator-style signals. These results suggest that retinal graph phenotypes can help prioritise systemic pathways in DR while preserving the distinction between image-derived support and same-subject mediation.
Jul 6, 2026cs.LG

Predicting Therapeutic Outcome via Aligning Patient-Specific Knowledge Graph and Gene-Level Perturbation Representations

Accurate prediction of patient-specific therapeutic response from pre-treatment transcriptomes is hindered by the scarcity of matched clinical response labels and post-treatment molecular profiles. Preclinical transfer-learning models can simulate drug-induced expression changes but are often hard to interpret and unstable, whereas knowledge-graph methods provide mechanistic context yet remain static and fail to capture drug-induced transcriptomic perturbation dynamics. We propose PREDIKTOR, a patient-centered multi-view framework that aligns a personalized network view with a transferable transcriptomic perturbation view to predict clinical drug response. For each patient, we construct an individualized gene regulatory network from tumor expression using DysRegNet and augment it with drug-target links from DrugBank; a graph neural encoder yields a drug-centric, mechanistically grounded embedding. In parallel, a frozen condition-specific gene-gene attention model pretrained on LINCS L1000 generates a simulated post-perturbation transcriptomic profile for the same patient-drug pair. We align the two views in a shared latent space via a CLIP-style contrastive objective with drug-context hard negatives, then concatenate the representations for end-to-end response classification. On TCGA, PREDIKTOR consistently outperforms state-of-the-art baselines under patient-, drug-, and tissue-split evaluations, and transfers zero-shot to the I-SPY2 trial, improving AUROC by 5.6% over competing methods. The aligned embeddings yield stable gene and pathway attributions that recover known mechanisms, supporting actionable and interpretable precision oncology.
Jul 3, 2026cs.LG

CoFEND: A Cross-Modal Fusion End-to-End Network for Cold-Start Drug-Drug Interaction Prediction

Cold-start drug-drug interaction (DDI) prediction for new drugs is critical for minimizing unexpected adverse drug reactions. The key challenge is to capture similarity between new and known drugs. However, such similarity is closely associated with complex relationships and mechanisms among drugs, enzymes, transporters, molecular structures, and other biomedical entities. Existing methods have three limitations in capturing such similarity: (1) only partial relationships and mechanisms are considered, which overlooks cross-modal information and yields incomplete or biased similarity modeling; (2) similarity computation between new and known drugs is conducted separately across modalities and performed offline for cold-start DDI prediction, leading to misalignment between similarity computation and DDI prediction; and (3) existing interpretability analyses are typically single-modality and focus primarily on key determinants of the perpetrator drug, while the underlying causes of susceptibility for the victim drug are seldom investigated. To address these issues, this paper proposes a novel Cross-Modal-Fused End-to-End Learning Network (CMF-ELN) with three components. First, diverse multimodal information is leveraged to construct four types of drug-centered knowledge graphs, enabling comprehensive similarity modeling under reconstruction-based supervision. Second, a four-channel graph autoencoder is designed to fuse cross-modal similarity within an end-to-end learning framework. Finally, a two-stage interpretability scheme is devised to precisely localize key factors for both perpetrator and victim drugs. Extensive experiments on two real datasets demonstrate that CMF-ELN achieves significantly higher prediction accuracy and more comprehensive interpretability of mechanisms than its peers.
Jul 2, 2026cs.LG

SABER: A Semantic-Aligned Brain Network Analysis Framework via Multi-scale Hypergraphs

Effective brain disease diagnosis requires the synergy of brain connectivity patterns and high-level semantic knowledge. Existing methods, however, largely treat semantics from large language models (LLMs) as auxiliary features or supervision, limiting their direct role in decision-making and constraining classification stability and robustness. To overcome this, we propose a semantic-aligned brain network framework that actively integrates LLM-derived semantics into the prediction process. Specifically, ROI-level semantics are first incorporated via global self-attention to enrich node representations and provide whole-brain context. Multi-scale hypergraphs are then constructed to explicitly model functional subnetworks and multi-ROI interactions, addressing the locality limitations of traditional GNNs and capturing high-order dependencies. Finally, a decision-level semantic alignment mechanism selectively injects patient-specific textual embeddings into graph representations, enabling semantics to directly guide predictions without perturbing the underlying network structure. Experiments on public brain network datasets ABIDE and ADHD-200 demonstrate state-of-the-art performance, enhanced stability, and improved interpretability, particularly in small-sample settings.
Jul 2, 2026cs.LG

MKGR: Multimodal Knowledge-Graph Representation Learning for Cold-Start Protein-Protein Interaction Prediction

Accurate protein-protein interaction (PPI) prediction is central to functional genomics, disease mechanism discovery, and drug development. A difficult setting arises when candidate interactions include proteins that have no observed PPI edges during training, where models relying on network topology alone often lose useful context. This paper presents \method, a multimodal representation framework for cold-start PPI prediction. \method\ combines region-aware protein sequence encoding with four protein-centered biomedical knowledge graphs, including protein-drug, protein-disease, protein-miRNA, and protein-lncRNA associations. The sequence branch extracts contextual representations from structurally informed sequence regions, while graph attention encoders learn modality-specific protein embeddings from sparse biomedical associations. A bridge reconstruction objective regularizes graph learning by recovering shared protein-entity associations, and a pair-level gating module adaptively integrates sequence and graph evidence for each candidate protein pair. Experiments on two benchmark datasets under novel-old and novel-novel cold-start settings show that \method\ consistently outperforms competitive sequence, network, and knowledge-graph baselines across ACC, F1, AUC, AUPR, and MCC.
Jul 1, 2026cs.CV

ClinRAG-GRAPH: Clinical-prior Retrieval-Augmented Graph Model with Domain Adversarial Learning for Breast pCR Prediction

Neoadjuvant chemotherapy (NAC) response prediction is clinically important for treatment stratification in breast cancer. However, robust pre-treatment pathological complete response (pCR) prediction remains challenging due to insufficient cross-modal modeling, multicenter imaging heterogeneity, and weak evidence-grounded interpretability. We propose ClinRAG-GRAPH, a Clinically informed Retrieval-Augmented Generation Graph framework, for pre-treatment pCR prediction from DCE-MRI, structured clinical variables, and biopsy-derived pathological biomarkers. ClinRAG-GRAPH constructs an intra-patient clinical-prior graph and applies a prior-guided relation-aware graph convolutional network for structured multimodal representation learning. To improve cross-center robustness, we introduce a dual-branch domain-adversarial learning strategy to suppress protocol-related MRI bias while preserving pCR-relevant features. To enhance interpretability, we further incorporate large language model (LLM)-driven subgraph RAG module that retrieves clinically analogous historical cases and integrates retrieved evidence for pCR inference. We assemble a large-scale multicenter NAC breast cancer cohort for extensive validation, drawing from two public sources and three in-house centers.Results show that ClinRAG-GRAPH achieves AUCs of 0.815 on the internal test set and 0.774/0.712 on two external test sets, demonstrating robust pre-treatment pCR prediction across centers. The code is available at the anonymized https://github.com/miccai26-1181/ClinRAG-GRAPH.
Jun 25, 2026cs.SI

Benchmarking Multi-Modal Graph-based Social Media Popularity Prediction

Social media popularity prediction aims to forecast the future reach or influence of online content from early-stage observations. Accurate prediction enables key downstream applications, such as advertising optimization and strategic content planning by users, creators, and platforms. Despite substantial progress, existing popularity prediction works often fail to jointly consider multimodal content and temporal social interaction signals. Moreover, the literature remains highly fragmented across datasets, modalities, observation windows, prediction targets, and evaluation protocols. This fragmentation prevents fair comparison and obscures a systematic understanding of how textual, visual, temporal, and interaction-based signals jointly shape popularity dynamics. To address these challenges, we introduce MMG-Pop, a Multi-modal Graph-based Popularity Prediction benchmark, which unifies datasets, modalities, temporal interaction signals, and representative baselines under a standardized evaluation protocol. Furthermore, we propose MMG-PopNet, a unified multi-modal graph-based network that jointly models the aforementioned multi-modal signals and graph-structured social interactions. Extensive experiments on MMG-Pop, comprising four datasets across Bluesky and Reddit platforms, demonstrate the superior performance of MMG-PopNet and yield new insights into cross-platform training generalization, multi-task prediction benefits, multi-modality contributions, and LLM prediction limitation. These findings establish a unified foundation for future research on social dynamics modeling and intervention under heterogeneous modalities and socially-aware agentic ecosystem paradigms.
Jun 25, 2026q-bio.GN

GRAFT: Biological Graph and Hypergraph Benchmarks for Linked Gene Expression and Phenotypic Trait Prediction in Arabidopsis thaliana

Understanding which genes control which traits in an organism remains one of the central challenges in biology. Despite significant advances in data collection technology, our ability to map genes to traits is still limited. This genome-to-phenome (G2P) challenge spans several problem domains, including plant breeding, and requires methods capable of reasoning over high-dimensional, heterogeneous, and biologically structured data. Current datasets and data repositories, however, are not well-equipped for this task. Current studies do not link gene expression and trait data, and most focus on very specific traits, limiting the breadth of possible correlations. To address this gap, we present the novel Gene-Graph Regression for Arabidopsis Functional Traits (GRAFT) dataset, a curated multi-modal dataset linking gene expression profiles with phenotypic trait measurements in Arabidopsis thaliana, a model organism in plant biology. GRAFT supports tasks such as phenotype prediction and interpretable graph learning. In addition, we benchmark conventional regression and explanatory baselines, including a biologically-informed hypergraph baseline, to validate gene-trait associations. To the best of our knowledge, this is the first dataset to provide multimodal gene information and heterogeneous trait or phenotype data for the same Arabidopsis thaliana specimens. With GRAFT, we aim to foster research to accurately understand the relationship between genotypes and phenotypes using gene information, higher-order gene pairings, and trait data from multiple sources.
Jun 18, 2026cs.LG

Towards Modality-imbalanced Federated Graph Learning: A Data Synthesis-based Approach

MultiModal Federated Graph Learning (MM-FGL) offers a natural collaborative training paradigm, but its practical deployment is challenged by two granularities of modality imbalance. Client-level imbalance occurs when certain clients lack entire modalities, while node-level imbalance occurs when individual nodes exhibit missing visual or textual attributes. While several relevant studies exist, our investigation reveals that they predominantly target graph-agnostic or centralized scenarios, rendering them difficult to adapt directly. To address these challenges, we formalize modality-imbalanced MM-FGL as an implicit graph-aware latent semantic representation synthesis problem. This paradigm recovers missing modal semantics directly within the representation space, thereby maximizing alignment with the original data's semantic distribution and mitigating the high variance induced by missing modalities. To this end, we propose FedMGS (Federated Modality-aware Graph Synthesis), which integrates three core components. The availability-aware graph encoder prevents missing modalities from contaminating local structural propagation. The prototype-guided latent semantic synthesizer establishes cross-client semantic anchors for unavailable modalities. The reliability-calibrated semantic fusion mechanism regulates the impact of recovered latent representations prior to predictive readout. Extensive experiments on four tasks show that FedMGS consistently outperforms competitive baselines with gains up to 17.41% with best efficiency-performance tradeoff.