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Kai Shu

Publications and source records attributed to Kai Shu.

At least 19 recordsLinked to original sources
arXiv2026

DrugReason: Dynamic Multi-View Reasoning over Knowledge Graph and Language Evidence for Drug Repurposing

Drug repurposing aims to identify new therapeutic uses for existing compounds and, compared with de novo drug discovery, offers a faster and more cost-effective path to clinical translation. However, the space of candidate drug-disease pairs is enormous and their underlying relationships often depend on complex multi-hop biological mechanisms, making it difficult to reliably predict which pairs represent true therapeutic relationships. Existing approaches tackle this from two directions: knowledge graph-based methods organize curated biomedical evidence into structured relational networks for grounded multi-hop reasoning, while LLM-based methods leverage pretrained knowledge to generate flexible mechanistic rationales. Yet neither is sufficient alone - KGs are confined to observed graph structure while LLMs lack factual grounding and risk hallucination. To address this gap, we propose DrugReason, a multi-view reasoning framework that integrates grounded KG reasoning with LLM-generated mechanistic inference for drug repurposing. DrugReason adaptively routes diverse reasoning paths to specialized experts conditioned on the query context, while a cross-expert distillation objective enables knowledge sharing without sacrificing expert specialization. Experiments on PharmaDB, DDInter, and DrugBank show that DrugReason improves average performance over strong single-view reasoning baselines and achieves competitive or superior results compared with graph-based alternatives, while providing interpretable routing-based predictions.

cs.LG↗
arXiv2026

Anchoring Bias: A Persistent Fairness Backdoor Attack against MLLMs under Continual Learning

Multimodal Large Language Models (MLLMs) are increasingly deployed in high-stakes domains where fairness is a critical safety requirement. In practice, these models are continually updated through continual learning (CL) to adapt to evolving tasks and data distributions. Prior work has shown that backdoor attacks can manipulate MLLM responses through hidden triggers, but naively implanted backdoors degrade as models undergo subsequent updates of CL. Although fairness has emerged as a central concern for MLLM deployment, whether backdoor-induced fairness violations can survive CL remains unexplored, leaving two critical questions unanswered: (1) whether a backdoor can reliably induce fairness violations in MLLMs, and (2) whether such fairness-targeted backdoors can persist through continual learning. We bridge this gap by proposing Persistent Fairness Backdoor Attack (PFBA) to inject persistent and group-specific discrimination into MLLMs. Specifically, PFBA achieves this through two novel mechanisms. The Latent Space Fairness Reinforcement reshapes the model's deep feature geometry by anchoring privileged-group representations to preserve utility while repelling and clustering targeted-group representations to sustain discrimination, and the Continual Learning Simulation iteratively optimizes the trigger against simulated parameter drift to ensure backdoor persistence across future updates. Extensive experiments demonstrate that PFBA induces severe fairness disparities that persist across continual learning rounds, evading standard backdoor defenses. The data and code are publicly available at https://github.com/lyygua/PFBA.

cs.LG↗
arXiv2026

Beyond Tokens: A Survey on Decoding Methods for Large Language and Vision-Language Models

Large language models (LLMs) and large vision-language models (LVLMs) have demonstrated impressive generative capabilities, yet ensuring their outputs align with user intent is still challenging. While most existing approaches address this issue at the training stage, inference-time approaches like decoding methods offer a more efficient and scalable solution. Decoding methods control model generation by guiding token-level selection, performing sequence-level generation, or generating tokens in parallel to accelerate the process. In this survey, we identify three emerging paradigms from recent works on decoding methods for LLMs and LVLMs, provide a systematic review of these methods, highlight ongoing challenges, and discuss potential future research directions. Our goal is to underscore the efficiency and effectiveness of decoding methods and offer a practical view of their applications. Paper lists and more resources on decoding methods for LLMs and LVLMs can be found at https://github.com/wang2226/Awesome-LLM-Decoding.

cs.CL↗
arXiv2026

Query-Only Backdoor Attacks on Self-Evolving Skills via Trajectory Poisoning

Agentic skills improve large language model (LLM) agents by encoding reusable procedures for complex tasks. However, manually authored skills often adapt poorly to long-horizon tasks and changing environments. To address the limitation, self-evolving skill systems have been developed to automatically construct and update skills from execution trajectories, shifting skill acquisition from external marketplaces to a trusted evolution pipeline. By replacing external skill acquisition with trusted internal construction, self-evolving skill systems reduce exposure to skill injection attacks that rely on direct skill manipulation. However, this skill evolution pipeline may introduce a new attack surface in which an attacker can indirectly steer skill evolution by inducing compromised trajectories through agent interactions. To demonstrate the threat, we propose Trajectory Backdoor Attack (TBA), a query-only attack that steers a trusted skill-evolution pipeline toward producing a backdoored skill. Specifically, we craft attacker-submitted queries to lead the agent to perform the target action and explicitly state the corresponding activation condition in the trajectory. We repeat the same condition-action pattern across diverse triggered tasks, while leaving clean queries unchanged, encouraging the evolver to consolidate the pattern as a reusable trigger-dependent rule into the evolved skill. Experiments on three benchmarks across two skill-evolution systems using four open- and closed-source backbone models demonstrate that TBA reliably implants conditional backdoors while preserving clean-task utility, matching or even surpassing direct skill injection. The results reveal a critical vulnerability in trajectory-driven skill evolution.

cs.AI↗
arXiv2026

FSB-Net: Frequency-Spatial Boundary Network for Brain Stroke Lesion Segmentation in Non-Contrast CT

Accurate segmentation of brain stroke lesions in non-contrast computed tomography (NCCT) scans is critical for rapid clinical decision-making, yet remains difficult due to the low contrast between lesion and normal brain tissue, heterogeneous lesion morphology across ischemic and hemorrhagic subtypes, and ambiguous boundaries caused by partial volume effects. Current deep learning approaches primarily optimize region-level overlap but lack explicit boundary modeling, leading to imprecise delineation that can affect volumetric assessment and treatment planning. We propose FSB-Net, a frequency-spatial boundary network that leverages frequency-domain analysis for boundary-aware stroke lesion segmentation. FSB-Net introduces three components: (i) a Wavelet Boundary Detection Head (WBDH) that applies the discrete wavelet transform to multi-scale encoder features, extracting high-frequency sub-bands as boundary representations; (ii) a Frequency-Spatial Cross-Attention Module (FSCAM) that performs bidirectional attention between wavelet boundary features and spatial decoder features for selective boundary enhancement; and (iii) a Spectral Boundary Loss that penalizes high-frequency discrepancies in the Fourier domain to optimize boundary sharpness. Built on a PVTv2-B2 encoder, FSB-Net is evaluated on a public Brain Stroke CT dataset containing both ischemic and hemorrhagic cases. Experimental results show that FSB-Net outperforms U-Net, UNet++, MANet, and DeepLabV3+ across all metrics, achieving state-of-the-art performance in mean Dice, mean IoU, and HD95.

cs.CV↗
arXiv2026

Dependency-Guided Code Generation: Structured Matrix Decomposition and Consistency-Guided Refinement

The increasing complexity of modern software systems has made automated code generation a fundamental task in software engineering. However, existing approaches often fail to adequately capture the intricate, multi-level dependencies among code entities, leading to generated code that is logically incomplete or difficult to integrate into real-world systems. To address this limitation, we propose a dependency-aware code generation framework that explicitly models interactions among code entities through a graph-based representation. We decompose dependencies into two complementary components: a quantized matrix that captures strong, explicit relations, and a sparse low-rank factorization that models weaker, implicit interactions. The decomposition is efficiently learned via an alternating optimization procedure. During code generation, the learned dependency structure is incorporated as a constraint, ensuring both semantic coherence and structural consistency of the generated code. Furthermore, we introduce a sparse triplet representation for strong dependencies, significantly improving storage efficiency and computational scalability. Extensive experiments demonstrate that our approach consistently produces code with superior semantic alignment and structural fidelity compared to existing methods.

cs.SE↗
arXiv2026

StateFlow: Dual-State Recurrent Modeling for Long-Horizon Time Series Forecasting

Long-horizon multivariate time series forecasting (LTSF) remains challenging due to non-stationarity, regime shifts, and error accumulation. The Variability-Aware Recursive Neural Network (VARNN) is designed to track such variability by maintaining a residual-memory state driven by one-step prediction errors. However, its original formulation is limited to one-step sequence regression and does not directly support multi-step forecasting. In this work, we extend VARNN to long-horizon forecasting and introduce StateFlow, a recurrent forecasting framework that uses VARNN as a dual-state recurrent backbone to capture two complementary signals from the lookback sequence: a hidden-state trajectory representing primary temporal dynamics, including trend, seasonality, level changes, and recurring patterns, and a residual-memory trajectory representing structured local prediction deviations, driven from a nonlinear recurrent transformation of errors between one-step base predictions and observed values. A chunk-based decoder separately summarizes these trajectories and maps them to the future horizon for direct multi-step forecasting. We further employ a two-stage optimization strategy that first trains the VARNN encoder through a one-step base prediction objective to optimize the internal representations over the lookback sequence, and then trains a horizon-specific decoder for direct multi-step forecasting. Experiments on standard LTSF benchmarks show that StateFlow achieves competitive performance against strong linear, recurrent, convolutional, and Transformer-based baselines while preserving linear recurrent encoding and a compact model design.

cs.LG↗
arXiv2026

EHRBench: An Automated and Reliable EHR-based Benchmark for Clinical Decision Making with LLMs

Clinical decision-making (CDM) is central to real-world clinical workflows, where clinicians infer diagnoses, select treatments, or anticipate future health outcomes under incomplete evidence. LLMs are increasingly used to support these decisions due to strong language capabilities, broad biomedical knowledge, and efficiency, yet the reliability of LLMs on real-world clinical decision tasks remains insufficiently understood. To evaluate CDM models, especially LLM-based models, an ideal and practical medical decision benchmark should be constructed via an automated yet reliable pipeline to ensure both scale and quality. Moreover, the grounding of a CDM benchmark in real patient EHRs can better support evaluation on practical CDM tasks that require substantive biomedical knowledge and clinical inference. To fill the gaps, we introduce EHRBench, an automated and reliable EHR-grounded benchmark for evaluating LLM-based clinical decision-making at scale. To ensure scalability and reliability, EHRBench is constructed through an EHR-LLM-KB(knowledge-base) interaction pipeline. For efficiency, we use a specialized LLM to automatically convert encounter-level EHR trajectories into structured templates and deterministically instantiate the templates into QA items. In parallel, we apply systematic KB-based verification and enrichment to filter hallucinated or ambiguous relations and to improve reliability. Using this pipeline, we construct nearly 1M (960,067) QA items spanning three core inference-required clinical decision tasks: diagnosis, treatment, and prognosis. We benchmark more than 30 representative LLMs on EHRBench and provide detailed analyses of performance and robustness. The results show consistent capability trends across settings, further validating the reliability of EHRBench and highlighting actionable gaps toward clinically reliable LLM systems.

cs.AI↗
arXiv2026

MOMENTA: Mixture-of-Experts Over Multimodal Embeddings with Neural Temporal Aggregation for Misinformation Detection

The widespread dissemination of multimodal content on social media has made misinformation detection increasingly challenging, as misleading narratives often arise not only from textual or visual content alone, but also from semantic inconsistencies between modalities and their evolution over time. Existing multimodal misinformation detection methods typically model cross-modal interactions statically and often show limited robustness across heterogeneous datasets, domains, and narrative settings. To address these challenges, we propose MOMENTA, a unified framework for multimodal misinformation detection that captures modality heterogeneity, cross-modal inconsistency, temporal dynamics, and cross-domain generalization within a single architecture. MOMENTA employs modality-specific mixture-of-experts modules to model diverse misinformation patterns, bidirectional co-attention to align textual and visual representations in a shared semantic space, and a discrepancy-aware branch to explicitly capture semantic disagreement between modalities. To model narrative evolution, we introduce an attention-based temporal aggregation mechanism with drift and momentum encoding over overlapping time windows, enabling the framework to capture both short-term fluctuations and longer-term trends in misinformation propagation. In addition, domain-adversarial learning and a prototype memory bank improve domain invariance and stabilize representation learning across datasets. The model is trained using a multi-objective optimization strategy that jointly enforces classification performance, cross-modal alignment, contrastive learning, temporal consistency, and domain robustness. Experiments on Fakeddit, MMCoVaR, Weibo, and XFacta show that MOMENTA achieves strong, consistent results across accuracy, F1-score, AUC, and MCC, highlighting its effectiveness for multimodal misinformation detection.

cs.MM↗
arXiv2026

SafeMind: A Risk-Aware Differentiable Control Framework for Adaptive and Safe Quadruped Locomotion

Learning-based quadruped controllers achieve impressive agility but typically lack formal safety guarantees under model uncertainty, perception noise, and unstructured contact conditions. We introduce SafeMind, a differentiable stochastic safety-control framework that unifies probabilistic Control Barrier Functions with semantic context understanding and meta-adaptive risk calibration. SafeMind explicitly models epistemic and aleatoric uncertainty through a variance-aware barrier constraint embedded in a differentiable quadratic program, thereby preserving gradient flow for end-to-end training. A semantics-to-constraint encoder modulates safety margins using perceptual or language cues, while a meta-adaptive learner continuously adjusts risk sensitivity across environments. We provide theoretical conditions for probabilistic forward invariance, feasibility, and stability under stochastic dynamics. SafeMind is deployed on Unitree A1 and ANYmal C at 200~Hz and validated across 12 terrain types, dynamic obstacles, morphology perturbations, and semantically defined tasks. Experiments show that SafeMind reduces safety violations by 3--10x and energy consumption by 10--15% relative to state-of-the-art CBF, MPC, and hybrid RL baselines, while maintaining real-time control performance.

cs.RO↗
arXiv2026

Do LLMs Know What Is Private Internally? Probing and Steering Contextual Privacy Norms in Large Language Model Representations

Large language models (LLMs) are increasingly deployed in high-stakes settings, yet they frequently violate contextual privacy by disclosing private information in situations where humans would exercise discretion. This raises a fundamental question: do LLMs internally encode contextual privacy norms, and if so, why do violations persist? We present the first systematic study of contextual privacy as a structured latent representation in LLMs, grounded in contextual integrity (CI) theory. Probing multiple models, we find that the three norm-determining CI parameters (information type, recipient, and transmission principle) are encoded as linearly separable and functionally independent directions in activation space. Despite this internal structure, models still leak private information in practice, revealing a clear gap between concept representation and model behavior. To bridge this gap, we introduce CI-parametric steering, which independently intervenes along each CI dimension. This structured control reduces privacy violations more effectively and predictably than monolithic steering. Our results demonstrate that contextual privacy failures arise from misalignment between representation and behavior rather than missing awareness, and that leveraging the compositional structure of CI enables more reliable contextual privacy control, shedding light on potential improvement of contextual privacy understanding in LLMs.

cs.CL↗
arXiv2026

Scaling Teams or Scaling Time? Memory Enabled Lifelong Learning in LLM Multi-Agent Systems

Large language model (LLM) multi-agent systems can scale along two distinct dimensions: by increasing the number of agents and by improving through accumulated experience over time. Although prior work has studied these dimensions separately, their interaction under realistic cost constraints remains unclear. In this paper, we introduce a conceptual scaling view of multi-agent systems that jointly considers team size and lifelong learning ability, and we study how memory design shares this landscape. To this end, we propose \textbf{LLMA-Mem}, a lifelong memory framework for LLM multi-agent systems under flexible memory topologies. We evaluate LLMA-Mem on \textsc{MultiAgentBench} across coding, research, and database environments. Empirically, LLMA-Mem consistently improves long-horizon performance over baselines while reducing cost. Our analysis further reveals a non-monotonic scaling landscape: larger teams do not always produce better long-term performance, and smaller teams can outperform larger ones when memory better supports the reuse of experience. These findings position memory design as a practical path for scaling multi-agent systems more effectively and more efficiently over time.

cs.MA↗
arXiv2026

CryoLVM: Self-supervised Learning from Cryo-EM Density Maps with Large Vision Models

Cryo-electron microscopy (cryo-EM) has revolutionized structural biology by enabling near-atomic-level visualization of biomolecular assemblies. However, the exponential growth in cryo-EM data throughput and complexity, coupled with diverse downstream analytical tasks, necessitates unified computational frameworks that transcend current task-specific deep learning approaches with limited scalability and generalizability. We present CryoLVM, a foundation model that learns rich structural representations from experimental density maps with resolved structures by leveraging the Joint-Embedding Predictive Architecture (JEPA) integrated with SCUNet-based backbone, which can be rapidly adapted to various downstream tasks. We further introduce a novel histogram-based distribution alignment loss that accelerates convergence and enhances fine-tuning performance. We demonstrate CryoLVM's effectiveness across three critical cryo-EM tasks: density map sharpening, density map super-resolution, and missing wedge restoration. Our method consistently outperforms state-of-the-art baselines across multiple density map quality metrics, confirming its potential as a versatile model for a wide spectrum of cryo-EM applications.

q-bio.QM↗
arXiv2026

A Survey of Agent Memory in the Second Half: Towards Self-Evolving and Long-Horizon Agents

Research in artificial intelligence is shifting from model innovations and benchmark scores towards problem definition and rigorous real-world evaluation. As the field enters the "second half," the central challenge becomes real utility in long-horizon, dynamic, and user-dependent settings such as agentic coding, deep research, and computer use, where LLM-based agents face context explosion beyond fixed context windows and must continuously accumulate, manage, and selectively reuse information across extended interactions. Memory, with hundreds of papers released in 2025, therefore emerges as the critical solution to fill this utility gap. Beyond passive storage, memory is increasingly the substrate through which agents self-evolve: short-term memory gates which experiences are perceived and abstracted during execution, while long-term memory consolidates them into reusable knowledge and skills, forming the loop through which agents improve from their own experience. In this survey, we provide a unified view of foundation agent memory along three dimensions: memory substrate (internal parametric state and external retrieval-augmented stores), cognitive mechanism (sensory, working, episodic, semantic, and procedural), and memory subject (user-centric personalization and agent-centric experience). We then analyze how memory is operated under single- and multi-agent topologies and highlight learning policies over memory operations, showing how memory management itself is becoming a trainable capability spanning reinforcement-learned context curation, experience consolidation at decision time, and the emerging ecosystem of portable, shareable agent skills. Finally, we review evaluation benchmarks and metrics for memory utility, and outline open challenges and future directions.

cs.CL↗
arXiv2026

Ahead of the Spread: Agent-Driven Virtual Propagation for Early Fake News Detection

Early detection of fake news is critical for mitigating its rapid dissemination on social media, which can severely undermine public trust and social stability. Recent advancements show that incorporating propagation dynamics can significantly enhance detection performance compared to previous content-only approaches. However, this remains challenging at early stages due to the absence of observable propagation signals. To address this limitation, we propose AVOID, an \underline{a}gent-driven \underline{v}irtual pr\underline{o}pagat\underline{i}on for early fake news \underline{d}etection. AVOID reformulates early detection as a new paradigm of evidence generation, where propagation signals are actively simulated rather than passively observed. Leveraging LLM-powered agents with differentiated roles and data-driven personas, AVOID realistically constructs early-stage diffusion behaviors without requiring real propagation data. The resulting virtual trajectories provide complementary social evidence that enriches content-based detection, while a denoising-guided fusion strategy aligns simulated propagation with content semantics. Extensive experiments on benchmark datasets demonstrate that AVOID consistently outperforms state-of-the-art baselines, highlighting the effectiveness and practical value of virtual propagation augmentation for early fake news detection. The code and data are available at https://github.com/Ironychen/AVOID.

cs.IR↗
arXiv2025

Towards Effective Model Editing for LLM Personalization

Personalization is becoming indispensable for LLMs to align with individual user preferences and needs. Yet current approaches are often computationally expensive, data-intensive, susceptible to catastrophic forgetting, and prone to performance degradation in multi-turn interactions or when handling implicit queries. To address these challenges, we conceptualize personalization as a model editing task and introduce Personalization Editing, a framework that applies localized edits guided by clustered preference representations. This design enables precise preference-aligned updates while preserving overall model capabilities. In addition, existing personalization benchmarks frequently rely on persona-based dialogs between LLMs rather than user-LLM interactions, or focus primarily on stylistic imitation while neglecting information-seeking tasks that require accurate recall of user-specific preferences. We introduce User Preference Question Answering (UPQA), a short-answer QA dataset constructed from in-situ user queries with varying levels of difficulty. Unlike prior benchmarks, UPQA directly evaluates a model's ability to recall and apply specific user preferences. Across experimental settings, Personalization Editing achieves higher editing accuracy and greater computational efficiency than fine-tuning, while outperforming prompting-based baselines in multi-turn conversations and implicit preference questions settings.

cs.CL↗
arXiv2025

EmoFeedback$^2$: Reinforcement of Continuous Emotional Image Generation via LVLM-based Reward and Textual Feedback

Continuous emotional image content generation (C-EICG) is emerging rapidly due to its ability to produce images aligned with both user descriptions and continuous emotional values. However, existing approaches lack emotional feedback from generated images, limiting the control of emotional continuity. Additionally, their simple emotion-text alignment fails to adaptively adjust emotional prompts according to image content, leading to insufficient emotional fidelity. To address these concerns, we propose a novel generation-understanding-feedback reinforcement paradigm (EmoFeedback$^2$) for C-EICG, which exploits the reasoning capability of the fine-tuned large vision-language model (LVLM) to provide reward and textual feedback for generating high-quality images with continuous emotions. Specifically, we introduce an emotion-aware reward feedback strategy, where the LVLM evaluates the emotional values of generated images and computes the reward against target emotions, guiding the reinforcement fine-tuning of the generative model and enhancing the emotional continuity of images. Furthermore, we design a self-promotion textual feedback framework, in which the LVLM iteratively analyzes the emotional content of generated images and adaptively produces refinement suggestions for the next-round prompt, improving the emotional fidelity with fine-grained content. Extensive experimental results demonstrate that our approach effectively generates high-quality images with the desired emotions, outperforming existing state-of-the-art methods on both our custom dataset and public dataset.

cs.CV↗
arXiv2025

"Everyone Else Does It": The Rise of Preprinting Culture in Computing Disciplines

Preprinting has become a norm in fast-paced computing fields such as artificial intelligence (AI) and human-computer interaction (HCI). In this paper, we conducted semistructured interviews with 15 academics in these fields to reveal their motivations and perceptions of preprinting. The results found a close relationship between preprinting and characteristics of the fields, including the huge number of papers, competitiveness in career advancement, prevalence of scooping, and imperfect peer review system - preprinting comes to the rescue in one way or another for the participants. Based on the results, we reflect on the role of preprinting in subverting the traditional publication mode and outline possibilities of a better publication ecosystem. Our study contributes by inspecting the community aspects of preprinting practices through talking to academics.

cs.HC↗