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Shirui Pan

Publications and source records attributed to Shirui Pan.

At least 37 records · Page 2Linked to original sources
arXiv2026

LVCG: Learning ECG Representations in the Latent Vectorcardiogram Space

Electrocardiography (ECG) is a cornerstone of cardiac assessment, making the learning of informative ECG representations fundamental to tasks ranging from disease diagnosis to clinical report generation. However, existing methods operate almost exclusively in the observable ECG signal space. In practice, the standard twelve-lead ECG represents multiple projections of the same underlying cardiac electrical activity from different spatial orientations. Therefore, representation learning in the ECG space inevitably introduces substantial redundancy, which may lead to spurious correlations and increased risk of overfitting. To address this and motivated by the Frank vectorcardiogram (VCG) model, we propose learning a unified latent representation of cardiac electrical activity directly in the VCG space. We introduce LVCG, the first general self-supervised representation learning framework designed to operate in this physically grounded latent space. By learning view-invariant latent VCG representations rather than lead-specific artifacts, VCG minimizes redundancy and improves generalization. LVCG generally outperforms ECG-space baselines across tasks, demonstrating enhanced robustness and generalization, especially in domain shift settings.

cs.LG↗
arXiv2026

Towards Anomaly Detection on Relational Data

Relational databases are widely used for managing structured data in real-world systems. Detecting anomalies from such relational data is crucial for identifying fraud, risks, and abnormal behaviors, yet remains under-explored. The key challenges lie in the intrinsic complexity of relational data: multi-table attributes are high-dimensional and heterogeneous, making sparse abnormal clues easy to overwhelm by normal or irrelevant information. Moreover, anomalies may further manifest as abnormal connection patterns across different foreign-key relations, which existing tabular and graph anomaly detection methods are ill-suited to capture. To address them, we propose RelAD, a reconstruction-based framework that captures anomalies from both attribute and relational edge reconstruction. RelAD contains two core modules: conditional sparse-gated attribute reconstruction, which suppresses redundant multi-table attributes and emphasizes abnormal semantic blocks, and dual-view multi-relational edge reconstruction, which detects relation-specific abnormal connections from both intrinsic and behavioral instance profiles. The resulting attribute and relational signals are integrated through a lightweight fusion module to produce the final anomaly score. We further construct 6 benchmark datasets with systematic anomalies, on which extensive experiments show that RelAD consistently outperforms baselines while achieving competitive efficiency..The source code is available at https://github.com/Shiy-Li/RelAD.

cs.LG↗
arXiv2026

Bridging AI and Energy Forecasting: An Autonomous Workflow with Customized Toolkit

Energy forecasting is crucial for the power grid, but fundamentally different from general time series analysis: it highly relies on covariates like meteorological factors, and its goals must align with actual power grid operations, such as risk assessment and system reliability. In order to bridge the huge gap between advanced machine learning forecasting models and actual power grid demand, this paper proposes an autonomous forecasting workflow based on LLMs. As a virtual analyst, the agent replaces tedious manual adjustments by autonomously analyzing data features, dynamically orchestrating optimal forecasting pipelines, and generating actionable analysis reports for decision-makers. The carefully arranged pipeline directly addresses the demand of the power grid through probabilistic forecasting for uncertainty quantification. Furthermore, the framework acts as an automated testbed, enabling seamless A/B testing of specific algorithmic plugins across various architectures to evaluate their empirical effectiveness. As the foundation of the algorithm, the underlying toolkit integrates 31 advanced temporal architectures and 6 customized exogenous modules, resulting in 146 highly configurable variants. In addition, to provide experience references for the agents, we established a large-scale benchmark on 21 energy datasets and released new high-quality renewable energy datasets with meteorological factors.

cs.LG↗
arXiv2026

CORE: In-Context Reconstruction for Unified Tabular Anomaly Detection

Tabular anomaly detection (TAD), which focuses on identifying abnormal samples that deviate from the majority in tabular data, has received growing attention. Recently, there has been an emerging trend towards unified TAD, which seeks to detect anomalies across different datasets using a single generalizable model. In unified TAD, aligning heterogeneous data remains challenging. While existing methods often rely on distance-based unified feature construction, they may obscure the semantics of the original features. Moreover, existing approaches typically formulate anomaly detection as a binary classification task, which may overlook diverse anomaly patterns from various datasets and be misled by unrepresentative synthetic anomalies. To address these challenges, we propose an in-COntext REconstruction approach for unified TAD (CORE for short). It introduces a decorrelated feature alignment module to directly align heterogeneous features into a unified representation space, which retains their semantic information. Meanwhile, CORE formulates unified TAD as an in-context reconstruction problem, eliminating the need for labeled or synthesized anomalies. Specifically, the in-context reconstruction module reconstructs each sample by leveraging contextual normal samples to capture dataset-specific distributions, such that reconstruction errors reflect its deviation from normality, facilitating unified TAD on arbitrary unseen datasets.

cs.AI↗
arXiv2026

DeMTS: Denoising Trajectories as Multivariate Time Series for Hallucination Detection in Diffusion Language Models

Diffusion large language models (D-LLMs) have emerged as a promising paradigm for text generation. However, similar to autoregressive LLMs, D-LLMs remain vulnerable to hallucinations, where fluent outputs may contain factually incorrect or unsupported content. Although existing hallucination detection methods for D-LLMs attempt to leverage uncertainty trajectories of the denoising process to better identify hallucination signals, they typically compress the trajectories along either the temporal or token dimension, overlooking the useful information encoded in the complete two-dimensional token-step structure. Consequently, they may fail to capture hallucination-relevant patterns, such as inconsistent convergence and cross-token fault propagation, leading to suboptimal detection performance. To bridge this gap, we propose a D-LLM hallucination detection framework that formulates the Denoising trajectories as Multivariate Time Series over learnable latent variables (DeMTS for short). DeMTS employs a trajectory-preserving token-to-variable assignment module to convert token signals into stable latent variables. Based on these variables, we propose dynamic multivariate temporal modeling to progressively integrate inter-variable dependency modeling with temporal encoding for hallucination prediction. Extensive experiments on two D-LLMs backbones and three benchmarks demonstrate that DeMTS outperforms existing hallucination detection methods while maintaining strong robustness, efficiency, and cross-task transferability.

cs.CL↗
arXiv2026

Towards One-for-All Anomaly Detection for Tabular Data

Tabular anomaly detection (TAD) aims to identify samples that deviate from the majority in tabular data and is critical in many real-world applications. However, existing methods follow a ``one model for one dataset (OFO)'' paradigm, which relies on dataset-specific training and thus incurs high computational cost and yields limited generalization to unseen domains. To address these limitations, we propose OFA-TAD, a generalist one-for-all (OFA) TAD framework that only requires one-time training on multiple source datasets and can generalize to unseen datasets from diverse domains on-the-fly. To realize one-for-all tabular anomaly detection, OFA-TAD extracts neighbor-distance patterns as transferable cues, and introduces multi-view neighbor-distance representations from multiple transformation-induced metric spaces to mitigate the transformation sensitivity of distance profiles. To adaptively combine multi-view distance evidence, a Mixture-of-Experts (MoE) scoring network is employed for view-specific anomaly scoring and entropy-regularized gated fusion, with a multi-strategy anomaly synthesis mechanism to support training under the one-class constraint. Extensive experiments on 34 datasets from 14 domains demonstrate that OFA-TAD achieves superior anomaly detection performance and strong cross-domain generalizability under the strict OFA setting. The source code is available at https://github.com/Shiy-Li/OFA-TAD.

cs.LG↗
arXiv2026

Sonar-TS: Search-Then-Verify Natural Language Querying for Time Series Databases

Natural Language Querying for Time Series Databases (NLQ4TSDB) aims to assist non-expert users retrieve meaningful events, intervals, and summaries from massive temporal records. However, existing Text-to-SQL methods are not designed for continuous morphological intents such as shapes or anomalies, while time series models struggle to handle ultra-long histories. To address these challenges, we propose Sonar-TS, a neuro-symbolic framework that tackles NLQ4TSDB via a Search-Then-Verify pipeline. Analogous to active sonar, it utilizes a feature index to ping candidate windows via SQL, followed by generated Python programs to lock on and verify candidates against raw signals. To enable effective evaluation, we introduce NLQTSBench, the first large-scale benchmark designed for NLQ over TSDB-scale histories. Our experiments highlight the unique challenges within this domain and demonstrate that Sonar-TS effectively navigates complex temporal queries where traditional methods fail. This work presents the first systematic study of NLQ4TSDB, offering a general framework and evaluation standard to facilitate future research.

cs.AI↗
arXiv2026

Large Models for Time Series and Spatio-Temporal Data: A Survey and Outlook

Temporal data, including time series and spatio-temporal data, are pervasive in real-world applications. Generated in massive volumes by physical and virtual sensors, they record dynamic system behaviors and enable a wide range of downstream tasks. Effectively analyzing such data is crucial to unlocking their rich information content. Recent advances in large language models and other foundation models have accelerated their use in time series and spatio-temporal data mining. These approaches not only improve pattern recognition and reasoning across diverse domains but also support progress toward artificial general intelligence that can understand and process temporal data. In this survey, we present a comprehensive, up-to-date review of large models tailored or adapted for time series and spatio-temporal data along four dimensions: data types, model categories, model scopes, and application areas/tasks. We organize existing work into two main groups: large models for time series analysis (LM4TS) and for spatio-temporal data mining (LM4STD), and further distinguish general-purpose from domain-specific models. We also curate related resources, including datasets, model implementations, and tools, organized by major application areas. Overall, this survey consolidates recent advances and highlights foundations, applications, resources, and open research opportunities in large model-centric temporal data analysis.

cs.LG↗
arXiv2026

TimeOmni-VL: Unified Models for Time Series Understanding and Generation

Recent time series modeling faces a sharp divide between numerical generation and semantic understanding, with research showing that generation models often rely on superficial pattern matching, while understanding-oriented models struggle with high-fidelity numerical output. Although unified multimodal models (UMMs) have bridged this gap in vision, their potential for time series remains untapped. We propose TimeOmni-VL, the first vision-centric framework that unifies time series understanding and generation through two key innovations: (1) Fidelity-preserving bidirectional mapping between time series and images (Bi-TSI), which advances Time Series-to-Image (TS2I) and Image-to-Time Series (I2TS) conversions to ensure near-lossless transformations. (2) Understanding-guided generation. We introduce TSUMM-Suite, a novel dataset consisting of six understanding tasks rooted in time series analytics and coupled with two generation tasks. With a calibrated Chain-of-Thought, TimeOmni-VL is the first to leverage time series understanding as an explicit control signal for high-fidelity generation. Experiments confirm that this unified approach significantly improves semantic understanding and numerical precision, establishing a new frontier for multimodal time series modeling.

cs.LG↗
arXiv2026

Beyond Pairwise Interactions: Equivariant Hypergraph Diffusion for Crystal Structure Prediction

Crystal Structure Prediction (CSP) remains a fundamental challenge with significant implications for materials discovery and the advancement of various scientific disciplines. Recent advances have demonstrated that generative models, particularly diffusion models, are especially promising for CSP. However, traditional graph-based representations, where atomic bonds are modeled as pairwise graph edges, fail to capture the intricate high-order interactions essential for accurately describing crystal structures. To address this limitation, we propose leveraging hypergraphs to represent crystal structures, enabling more expressive modeling of multi-way atomic interactions. Hypergraphs naturally encode complex high-order relationships and respect key symmetries -- such as permutation and periodic translation invariance -- that are crucial for characterizing crystalline materials. Building on this representation, we propose the \textbf{E}quivariant \textbf{H}ypergraph \textbf{Diff}usion Model (\textbf{EH-Diff}), a generative framework designed to exploit the symmetry-preserving properties of hypergraphs. EH-Diff provides an efficient and accurate method for predicting crystal structures, with rigorous theoretical guarantees on invariance preservation. Empirically, we conduct extensive experiments on four benchmark datasets, and the results demonstrate that EH-Diff outperforms state-of-the-art CSP methods even with a single diffusion sample.

cs.CE↗
arXiv2026

Graph Navier Stokes Networks

Graph Neural Networks (GNNs) have emerged as a cornerstone of deep learning, with most existing methods rooted in graph signal processing and diffusion equations to model message passing. However, these approaches inherently suffer from the oversmoothing problem, where node features become indistinguishable as the network depth increases. Inspired by the Navier Stokes equations, we introduce Graph Navier Stokes Networks (GNSN), a novel architecture that transcends conventional diffusion-based message passing by incorporating convection into graph structures. GNSN defines a dynamic velocity field on the graph to govern convection, enabling more efficient and direct message propagation. By adaptively balancing convection and diffusion, GNSN is able to efficiently handle datasets with varying levels of homophily. Extensive evaluations across twelve real-world datasets demonstrate that GNSN consistently outperforms state-of-the-art baselines in classification accuracy. Moreover, experimental results further emphasize its effectiveness in alleviating the oversmoothing problem.

cs.LG↗
arXiv2026

AbstainGNN: Teaching Graph Neural Networks to Abstain for Graph Classification

Graph classification is a core task in graph data mining with widespread real-world applications. Recent advances in graph neural networks (GNNs) have led to substantial performance improvements for graph classification. However, existing GNNs are typically forced to make predictions even under high uncertainty or unknown conditions, resulting in unreliable decisions that can severely impact downstream tasks, particularly in safety-critical scenarios. To address this critical limitation, we propose AbstainGNN, a novel and theory-driven framework for graph classification with abstention, which enables GNNs to reject uncertain predictions instead of producing incorrect decisions. Specifically, AbstainGNN explicitly models both the predictive function and the abstention function, allowing for effective utilization of graph structural information. Moreover, unlike existing heuristic abstention methods, we theoretically characterize the trade-off between classification errors and rejection costs from a PAC-Bayesian generalization perspective, and derive a unified learning objective for model optimization. Guided by this theoretical insight, we further develop an efficient two-stage training strategy consisting of predictive function warm-start and abstention function calibration. Extensive experiments on five benchmark datasets show that AbstainGNN outperforms existing abstention methods, achieving superior classification performance under the same rejection rates.

cs.LG↗
arXiv2026

Rel-MOSS: Towards Imbalanced Relational Deep Learning on Relational Databases

In recent advances, to enable a fully data-driven learning paradigm on relational databases (RDB), relational deep learning (RDL) is proposed to structure the RDB as a heterogeneous entity graph and adopt the graph neural network (GNN) as the predictive model. However, existing RDL methods neglect the imbalance problem of relational data in RDBs and risk under-representing the minority entities, leading to an unusable model in practice. In this work, we investigate, for the first time, class imbalance problem in RDB entity classification and design the relation-centric minority synthetic over-sampling GNN (Rel-MOSS), in order to fill a critical void in the current literature. Specifically, to mitigate the issue of minority-related information being submerged by majority counterparts, we design the relation-wise gating controller to modulate neighborhood messages from each individual relation type. Based on the relational-gated representations, we further propose the relation-guided minority synthesizer for over-sampling, which integrates the entity relational signatures to maintain relational consistency. Extensive experiments on 12 entity classification datasets provide compelling evidence for the superiority of Rel-MOSS, yielding an average improvement of up to 2.46% and 4.00% in terms of Balanced Accuracy and G-Mean, compared with SOTA RDL methods and classic methods for handling class imbalance.

cs.AI↗
arXiv2026

Echoes in Filter Bubble: Diagnosing and Curing Popularity Bias in Generative Recommenders

Recently, Generative Recommenders (GRs), characterized by a unified end-to-end framework, have exhibited astonishing potential in transforming the recommendation paradigm. Despite their effectiveness, we recognize that GRs are still susceptible to the long-standing issue of popularity bias that has pervaded the recommendation community. Although a few studies have attempted to extend traditional debiasing methods to GRs, their effectiveness is marginal, and the fundamental reason why GRs suffer from popularity bias remains under-explored. To bridge this gap, this study focuses on two core aspects in GRs: the optimization of generative framework and the item tokenization based on semantic index. Based on theoretical analyses, we identify that the severe popularity bias emerges from the confluence of a token-level optimization flaw and the undifferentiated property of item tokenization. Accordingly, this study develops a novel generative recommender system, called Ghost, by designing the asymmetric unlikelihood optimization and the skeleton-founded tokenization. Extensive empirical evaluations across three datasets, alongside multiple SOTA baselines, reveal that Ghost substantially alleviates popularity bias and promotes fairer recommendations, while incurring slight degradation to the overall recommendation utility.

cs.IR↗
arXiv2026

Rethinking Feature Alignment in Generalist Graph Anomaly Detection: A Relational Fingerprint-based Approach

Generalist graph anomaly detection (GAD) aims to detect anomalies on unseen graphs without graph-specific retraining. Nevertheless, existing approaches primarily focus on aligning heterogeneous features across different data domains via PCA-based projection, which harmonizes feature dimensions ignores feature semantics. As a result, GAD models fail to learn transferable semantic knowledge, and even exhibit negative transfer on unseen graphs. To address this issue, we propose a Relational Fingerprint-based generalist GAD approach (ReFi-GAD for short), aligning heterogeneous raw features with a universal and semantics-aware Relational Fingerprint (ReFi) that encodes anomaly-indicative cues from both contextual and structural perspectives. Building on ReFi, we design a fingerprint-grounded generalist GAD model, which combines a transformer-based encoder to capture domain-invariant knowledge with an SNR-guided refinement module for domain-specific adaptation. Extensive experiments on 14 datasets demonstrate that ReFi-GAD significantly outperforms state-of-the-art methods.

cs.LG↗
arXiv2026

AION: Next-Generation Tasks and Practical Harness for Time Series

Time series research is moving beyond fixed forecasting benchmarks toward realistic tasks that combine prediction, contextual reasoning, tool use, and structured decision support. Most benchmarks are built around clean data and short evaluation loops; agents alone may miss temporal constraints, evidence checks, or review before finalizing outputs. We first formalize next-generation time series tasks as three-component tuples consisting of a task file, a workspace, and a validation interface. We then present AION, a time series harness built from six component groups: agents, skills, rules, memory, evaluation, and protocols. In this harness, we use three design principles: temporal grounding, temporal knowledge-grounded reasoning, and reliability mechanisms such as post-experiment analysis and layered review. A Kaggle Store Sales case study shows that the harness produces more detailed process traces, more artifacts, and more review steps than the same base agent operating in OpenCode direct build mode. Taken together, these results argue for a paradigm shift from fixed tasks to realistic ones under real-world constraints.

cs.AI↗
arXiv2026

Beyond the Aggregation Dilemma: Prior-Retaining Decoupled Learning for Multimodal Graphs

Multimodal Attributed Graph Learning (MAGL) integrates intrinsic node attributes with structural topology via graph aggregation. However, as pretrained encoders evolve into Large Foundation Models (LFMs), the landscape of MAGL fundamentally shifts: under high-confidence LFM priors, mandatory aggregation introduces topological noise that overwhelms discriminative signals, triggering a counter-intuitive performance inversion where sophisticated MAGL architectures underperform simple topology-agnostic MLPs. Through systematic empirical and theoretical analysis, we identify that this inversion stems from a fundamental aggregation dilemma characterized by two concurrent pathologies: (1) Representational Pathology (SNR Degradation) - mandatory aggregation dilutes robust intrinsic features with topological noise, causing the noise penalty to outweigh its collaborative benefit; and (2) Optimization Pathology (Gradient Starvation) - topological aggregation attenuates gradient flow, while a shared task loss causes dominant modalities to prematurely suppress weaker ones. To resolve this dilemma, we propose SUPRA (Shared-Unique Prior-Retaining Architecture), a decoupled dual-pathway paradigm. SUPRA processes modality-specific features through topology-agnostic MLPs while capturing structural synergy via a lightweight shared GNN, with auxiliary deep supervision counteracting gradient starvation. Extensive evaluations demonstrate that SUPRA achieves state-of-the-art performance while requiring 3.5x lower peak GPU memory and up to 4.4x faster training time than Multimodal Graph Transformers.

cs.LG↗
arXiv2026

LineageFlow: Flow Matching for High-Fidelity Family-Aware Protein Sequence Generation

Protein sequence generation for engineering requires samples that are biophysically plausible and, when targeting a family/domain, remain recognizable members while exploring within-family diversity. Current discrete generative models typically start from uniform or masked-token noise, which discards strong position-specific constraints induced by evolution and forces the model to reconstruct conserved residues from scratch, leading to weak family control and low plausibility. We propose \emph{LineageFlow}, a Dirichlet flow-matching model that initializes generation from lineage priors derived from ancestral sequence reconstruction, turning generation into structured mutation from an evolved scaffold. Across diverse protein families, LineageFlow achieves family validity close to held-out natural sequences and improves predicted structural confidence over uniform-/mask-initialized baselines while maintaining substantial novelty and diversity. Finally, we introduce \emph{rerouting}, a single intermediate-time mutate--select--amplify intervention that enables objective-guided sampling without per-step predictor guidance and yields further gains in plausibility, including a zero-shot enzyme generation case study. Code is available at https://github.com/Jinx-byebye/LineageFlow.

cs.CE↗