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Lei Xu

Publications and source records attributed to Lei Xu.

At least 19 recordsLinked to original sources

Distributed risk-averse optimization via CVaR

Distributed systems often operate under uncertainty, where minimizing expected loss may overlook rare but severe events. This paper studies a distributed risk-averse convex optimization problem in which agents cooperatively minimize the average of local conditional value-at-risk (CVaR) objectives over a time-varying network. Each agent has access only to noisy evaluations of its local loss function, rather than to its CVaR objective or gradient. We therefore develop a zeroth-order algorithm that uses sampled losses to construct empirical CVaR estimates and their gradient estimates. At each iteration, agents combine neighboring decisions and perform a local update. Under convexity and Lipschitz continuity assumptions, we prove that the agents reach exact asymptotic consensus. We also establish a finite-time expected suboptimality bound for the weighted ergodic iterate. With diminishing step sizes and fixed sample sizes, the local last iterates converge almost surely to a common optimum, and their limiting expected CVaR gap is bounded in terms of the smoothing and finite-sample errors. This distributed bound matches the parameter dependence of the centralized benchmark provided in this paper. Finally, simulations on a distributed sensor network estimation problem illustrate the efficacy of the method.

math.OC

Topological Lithography via External Field: Creating Topological States Anywhere Beyond the Edge

Topological insulators (TIs), recognized for their robust boundary states and unconventional phase transitions, have emerged as one of the most impactful discoveries in recent decades, attracting considerable interest across diverse fields. However, conventional TIs require topological contrasts between adjacent bulk regions, typically achieved by distinct symmetries, which limits their flexibility and broader applicability. In this work, we introduce a "lithography" approach to inducing topological states by applying external fields in time-reversal-symmetric systems. These states transcend the conventional bulk topology design paradigm and offer exceptional tunability: they can exist at geometric edges, within the bulk, or even be induced remotely. Because the external field is highly controllable, the induced states are programmable, reconfigurable, and can be easily tailored into desirable patterns. Theoretically, we demonstrate that the external field modifies the Jackiw-Rebbi mechanism, inducing a real-space topological transition characterized by a local topological marker (LTM). We further establish an extended valley bulk-edge correspondence, which explains both the conventional scenario and our findings. Our results, validated across mechanical, electronic, and acoustic platforms, highlight the broad applicability of this approach to various systems. This work not only advances the theory of topology but also enhances the diversity, tunability, and practical implementation of topological states and materials.

cond-mat.other

Reachability-Based Capability Confinement for LLM Agents under Indirect Prompt Injection

Large language model agents place outputs from external skills into their execution context, allowing attacker-controlled data to influence later privileged actions. Existing defenses mainly classify untrusted content or authorize proposed operations. They do not directly address how an agent's future authority should change once untrusted data enters its state. We present SkillGuard, a harness-level enforcement layer that treats this event as contamination and restricts future capabilities to disconnect the resulting state from deployer-defined forbidden states. Given sound skill summaries and policies, SkillGuard represents security-relevant transitions with a Skill Impact Graph, specifies admissible control over skill parameters via steerability signatures, and mediates invocations with an inline reference monitor. Following contamination, it computes weighted capability restrictions using binary, fractional, or fractional-flow strategies without auxiliary language-model inference. We evaluate SkillGuard on four AgentDojo suites with two backend LLMs, Gemini 2.5 Flash and Llama3.3-70B, against an LLM-only No Defense baseline and three defenses at different system layers: Spotlighting, CaMeL, and AttriGuard. We construct a compositional attack benchmark in which each attack combines observations individually insufficient to induce target violation and evaluate the same baselines on it. Under AgentDojo's Tool Knowledge attacks, SkillGuard eliminates attack success on three of four suites for both backends and reduces it to 4.8% and 14.3% on Slack. Against compositional attacks, it outperforms every baseline on Llama and matches the strongest baseline on Gemini at higher benign utility. Fractional-flow restriction preserves substantially more capabilities than binary restriction at the same attack success rate. Across both settings, SkillGuard adds no model calls or token overhead.

cs.CR

Frequency-aware forecasting for short-term typhoon gust prediction

Accurate gust forecasting under typhoon conditions remains challenging due to the highly non-stationary and multi-scale characteristics of extreme wind fluctuations. Existing deep learning models often struggle to simultaneously capture long-term trends and rapid local variations, resulting in degraded performance during extreme events. We propose WDANet, a frequency-aware forecasting framework that integrates stationary wavelet decomposition, a Feature-wise Linear Modulation (FiLM) strategy, and a dual-branch encoder-decoder architecture, enabling separate modeling of trend and fluctuation components. Taking the offshore regions of the Western Pacific in China as an example, we conduct fine-grid wind gust prediction research. The results demonstrate that WDANet shows advantages for short lead times under the experimental setting across a 24-h forecasting horizon and achieves higher prediction accuracy than ECMWF-HRES within the first 6 h. During extreme wind events, WDANet more accurately captures gust peaks and attains the best RMSE and MAE performance. These results highlight its potential for offshore wind power operation, disaster warning, and risk mitigation.

cs.LG

Amorphous and Nanocrystalline Topological Semimetal YPtBi/W/CoFeB Heterostructures for BEOL-Compatible Spin-Orbit Torque Devices

Spin-orbit torque (SOT) devices require spin-source materials that combine efficient charge-to-spin conversion with back-end-of-line (BEOL) thermal compatibility. Here, we show that YPtBi/W/CoFeB heterostructures deposited directly on Si/SiOx remain predominantly amorphous or weakly nanocrystalline from room temperature to 400 {\deg}C while preserving a large effective damping-like SOT response. Anomalous Hall and harmonic Hall measurements, together with X-ray diffraction, cross-sectional transmission electron microscopy, X-ray reflectivity, and electron energy-loss spectroscopy, show that the response does not correlate with bulk crystallization of YPtBi. Instead, the interfacial analysis indicates that the strongest trend of the spin Hall angle is associated with the chemistry of the upper YPtBi/W boundary: the effective SOT response tracks the integrated W concentration at that YPtBi surface. Meanwhile, a two-spin source analysis shows that the Pt-W-rich interlayer provides only a small positive correction, insufficient to explain the large negative effective spin Hall angle by itself. The dominant control variable is therefore inferred to be the incorporation of W into the upper YPtBi interface, which plausibly modifies the local electronic structure of YPtBi and amplifies the stack-level response. These results provide a more physically constrained interpretation of the stack behavior and identify a BEOL-compatible route to disordered topological spin-source layers for scaled SOT memory and compute-in-memory hardware.

cond-mat.mtrl-sci

Lensing and enhanced single atom detection via a single-pixel nanostructure

We propose and demonstrate a general mechanism for nanoscale lensing based on the phase gradient imposed by a single nanostructure scattering light in its near-field. We verify this effect using an optical waveguide on a substrate, with single atoms serving as quantum probes that sample the near-field intensity through their fluorescence. This quantum probing technique provides a unique, non-destructive approach to characterizing focused optical fields and reveals a 4-fold enhancement in single atom detection efficiency. This work establishes on-chip nanostructures as a multi-functional quantum optics platform that can efficiently route photons, localize fields, and enhance atom-photon coupling, offering new opportunities for trapping and manipulating single atoms and realizing hybrid nanophotonic-atomic systems for quantum applications.

quant-ph

PACE: Policy-Attested Contract Execution for Safe AI Agents in Decentralized Finance

Autonomous AI agents are emerging as interfaces for decentralized finance (DeFi) actions such as swaps, lending operations, and yield management. Because these agents rely on large language models (LLMs) to plan transactions, they inherit the LLM's susceptibility to prompt injection and lack of mechanisms to bind a verifier's approval to the exact transaction ultimately submitted on-chain. We present PACE (Policy-Attested Contract Execution), a transaction-level authorization framework that interposes between an LLM-based agent and on-chain execution. PACE introduces typed transaction intents, a deterministic policy verifier, and signed Policy Decision Records (PDRs) that cryptographically bind the approved intent, policy, and simulation report to the exact execution bytes, with replay and expiration protection. A Solidity smart account enforces PDR signatures on-chain with a measured overhead of 29,826-31,822 gas. We evaluate PACE against six baselines on 40 tasks spanning four attack categories plus benign utility (2,800 trials, 10 seeds). In our deterministic sandbox, PACE achieves a 0.00 unsafe execution rate and 0.00 false-positive rate on benign tasks, compared to 0.80 for the unguarded baseline. Ablation studies identify permissive policy settings (+57.5 pp) and the touched-contract allowlist (+12.5 pp) as the dominant safety components. To test whether the same deterministic floor holds for real model outputs, the artifact additionally provides a three-model live-LLM evaluation over the full task suite with repeated runs. A mainnet-fork harness is included for archive-RPC deployments, but fork results are reported only when the corresponding artifacts are generated. These auxiliary studies are separate from, and never substitute for, the deterministic benchmark. We frame our claims as logic-level safety within a reproducible benchmark rather than deployment-ready DeFi security.

cs.CR

When Agents Act on Web3: An Attack-Surface Survey of MCP, Skills, and Tool Calling

AI agents increasingly act rather than merely read: across the Model Context Protocol (MCP) ecosystem, the share of deployed tools that modify external state has risen from 27% to 65% of tool use. When agents exercise this authority on public blockchains through MCP, skills, and tool calling, the consequences of an attack are governed by the blockchain execution layer rather than by conventional software assumptions. This survey argues that four properties of that layer (irreversibility, signing authority, continuous autonomy, and sequence-level composition) qualitatively change the threat model, turning the recoverable failures of generic agent security into a standing, irreversible loss. We organize the fragmented MCP-security literature into an attack-surface taxonomy, then contribute a Web3 risk-mapping matrix that ties each attack class to its amplified impact, the responsible amplifiers, a representative mitigation, and the residual gap. We synthesize defenses, including emerging blockchain-based mechanisms, and find them improving but insufficient: measured protections stop fewer than 30% of attacks, and model-level safety refuses fewer than 3%. We close by positioning the work against adjacent surveys and deriving a research agenda from the matrix's open cells.

cs.CR

Blockchain Empowered Trustworthy Agent Networks: Foundations, Taxonomy, and Future Directions

AI agents are evolving from isolated task executors into networked autonomous entities that can communicate, delegate tasks, invoke tools, access external knowledge, and participate in cross-platform service and economic workflows. This evolution gives rise to open agent networks, where heterogeneous agents owned by different stakeholders interact without naturally shared infrastructures for identity, authorization, auditability, reputation, or settlement. This survey and tutorial article reviews the literature over the period 1980--2026 on the evolution from classical multi-agent systems to open agent networks, with a particular focus on LLM-based autonomous agents, agent interoperability protocols, Internet-of-Agents infrastructures, and blockchain-enabled trust mechanisms. We first review this evolution and show how the trust boundary expands from individual execution to cross-agent, cross-platform, and cross-organizational interaction. We then identify a network-level trust crisis that cannot be fully addressed by single-agent safety mechanisms or closed multi-agent coordination techniques, and develop a five-dimensional taxonomy covering entity and capability trust, authorization and delegation trust, information and provenance trust, coordination and group-robustness trust, and accountability and settlement trust. Based on this taxonomy, we examine how blockchain can provide shared identity, verifiable authorization, tamper-evident provenance, auditable collaboration, incentive alignment, and value settlement for trustworthy agent networks. We further synthesize the mapping between agent-network risks, trust requirements, and blockchain-enabled mechanisms, and clarify the role of blockchain as a shared trust layer rather than a replacement for agent security, semantic verification, privacy protection, or robust reasoning.

cs.CR

Fused Bayesian Flow Networks for Dual-Target Molecular Design

Dual-target drug design aims to generate 3D molecules that can simultaneously interact with two target proteins, offering a promising route for discovering polypharmacological compounds against complex diseases. While recent generative models have shown encouraging performance in single-target drug design, existing dual-target approaches either focus on sequence generation or introduce an additional predictive drift term into the diffusion-based generative trajectory, which limits their ability to fully integrate feature information from both targets. We propose FusedBFN, a fused Bayesian flow network (BFN) for dual-target molecular design. FusedBFN formulates dual-target generation as distribution fusion in a unified continuous parameter space and employs a product-of-experts formulation to incorporate dual-target information throughout the generative process. To address the scarcity of dual-target structural data, we leverage a pretrained target-aware BFN model as the shared backbone. We further introduce a chemically aware prior-based alignment method and a prior-free pocket alignment strategy to construct aligned dual-target contexts. Extensive experiments demonstrate that FusedBFN generates molecules with strong binding affinity toward dual targets while maintaining favorable molecular properties.

cs.LG

TileSight: A First-Principles Tile-Centric Analytical GPU Performance Model from Cores to Clusters

Recent GPU programming frameworks such as Triton, TileLang, and CUDA Tile adopt tiles as first-class primitives, making tile-centric programming the prevailing approach for high-performance GPU kernels. Performance-analysis tooling has not followed: programmers still rely on coarse roofline bounds, opaque ML predictors, or post-hoc profilers to understand kernel execution. This gap is acute for modern AI workloads, where kernel fusion and distributed inference depend on tensor cores, CUDA cores, cache hierarchies, memory pipelines, and inter-GPU networks. We present TileSight, a tile-centric performance-modeling tool that elevates the tile from a programming primitive to an analysis primitive. Within a GPU core, TileSight models compute-memory pipeline overlap; across cores, it models the cache hierarchy; across GPUs, it models inter-node communication. All layers share the tile abstraction: the intra-tile layer expresses work as a resource vector spanning network, memory, and compute pipelines; the inter-tile layer schedules dependent and ordered actions to expose legal overlap and infers multi-level cache hit rates from tile reuse distance; and the cross-device layer maps remote tensor accesses to placements and routes them through an alpha-beta stage cost. On A100, H200, B200, and B6000, TileSight predicts single-GPU kernel latency with 12.35% pooled mean absolute percentage error (MAPE), outperforming state-of-the-art baselines and transferring better across architectures. Its L2 cache-hit-rate predictions are within roughly one percentage point of measurements on every GPU. At up to 32 GPUs, TileSight achieves 16.18% weighted MAPE (wMAPE) on fused distributed kernels and 13.52% wMAPE on end-to-end vLLM serving. In optimization, TileSight selects tile configurations competitive with strong vendor and expert baselines. TileSight will be open-sourced upon publication.

cs.DC

Context Contamination in LLM Analysis of Network Security Logs: Poison with Passive Prompt Injection and Mitigation Evaluation

Large Language Models are increasingly deployed in Security Operations Centers for log analysis tasks including summarization, alert triage, and threat investigation. These systems ingest logs from external-facing services and process network logs as natural language contexts to generate security insights. We demonstrate that this architectural pattern introduces a critical vulnerability: adversaries can embed prompt injection payloads in log-generating fields that persist in storage and are executed when analysts query the LLM, achieving what we term passive prompt injection. We present LogInject, a systematic framework for evaluating these threats. Using LogInject-1.0, a benchmark of 12,847 log entries including 2,569 adversarial samples, we evaluate three production LLMs across four attack objectives: activity concealment, false positive generation, information exfiltration, and output hijacking. Our findings reveal an up to 88.2% attack success rate (83.4% average across models) under the baseline conditions. We introduce Context Stitching, a novel technique that fragments payloads across multiple log entries to evade stateless filters while exploiting LLM long-context reasoning, achieving a 76.4% success rate. As mitigation, we evaluate layered defenses by combining input filtering, prompt hardening, and output validation, demonstrating a 90.4% attack reduction, although 8.4% residual vulnerability persists. Our results establish that LLM-based log analysis creates an inherent confused deputy vulnerability where untrusted data and trusted instructions compete indistinguishably for model attention, requiring defense in-depth architectures and continued human oversight for security-critical decisions.

cs.CR

CausalGraphX: A Counterfactual Graph Neural Network Framework for Explainable Systemic Risk Assessment

The interconnected nature of global financial systems makes them vulnerable to systemic risks, where the failure of a few institutions can trigger catastrophic cascading defaults. Traditional risk models often fail to capture the complex, non-linear dynamics of these networks. While Graph Neural Networks (GNNs) have shown promise in modeling relational data, they primarily learn correlative patterns and function as black boxes, offering little insight into the causal mechanisms of shock propagation. This limitation is critical for regulators who require explainable models to perform stress tests and devise effective interventions. We introduce CausalGraphX, a novel framework that integrates GNNs with counterfactual reasoning to provide explainable assessments of systemic risk. CausalGraphX employs a Graph Attention mechanism to learn representations of institutional vulnerability and uses an adversarial regularization technique to ensure these representations capture causal drivers rather than spurious correlations. Furthermore, we propose an optimization-based approach to generate counterfactual explanations, answering questions such as, "What minimum capital injection would have prevented Bank A's default under a specific stress scenario?" We validate CausalGraphX on large-scale synthetic financial networks. Our results demonstrate that CausalGraphX significantly outperforms traditional and deep learning baselines in predicting cascading defaults while providing sparse, plausible, and actionable counterfactual explanations.

cs.AI

ForensicsTok: Forensics-Guided Tokenized Modeling for Image Tampering Localization

Multi-modal Large Language Models (MLLMs) offer powerful reasoning for forensic tasks, yet existing approaches utilizing exogenous segmentation decoders often suffer from suboptimal localization. The reliance on stitched pipelines introduces information bottlenecks during backpropagation, which dilutes spatial signals and is limited by semantic priors of the segmentor. To address these limitations, we propose ForensicsTok, which reformulates image manipulation localization as an autoregressive sequence generation task. ForensicsTok directly generates spatially grounded token sequences, enabling precise mask prediction without intermediary supervision. Specifically, we introduce a Token Splatting Decoder (TSD) to map tokens to binary masks via codebook-aware code smoothing, which mitigates sharp gradients from deterministic detokenizers. Furthermore, to capture diverse tampering clues, we propose a Hierarchical Expert Fusion (HEF) module that injects multi-scale features from a forensic expert model. This unified architecture effectively compensates for the lack of forensic priors in standard MLLMs. Extensive experiments on six benchmarks show that ForensicsTok substantially improves over existing MLLM-based baselines and slightly improves over strong forensic expert baselines, while exhibiting stronger robustness to perturbations.

cs.CV

dVLA-RL: Reinforcement Learning over Denoising Trajectories for Discrete Diffusion Vision-Language-Action Models

Vision-Language-Action (VLA) models have established a powerful paradigm for generalist robotic manipulation by grounding control into the semantic reasoning of VLMs. Prevailing architectures typically model actions continuously via diffusion or flow processes, or discretely through either autoregressive generation or parallel decoding. Recently, Discrete Diffusion VLAs (dVLAs) have emerged as a distinct alternative, unifying vision, language, and action into a single discrete token space via masked generative modeling. While combining iterative refinement with unified representations, its training has thus far been restricted to Supervised Fine-Tuning (SFT), leaving the potential of Reinforcement Learning (RL) for further policy refinement largely unexplored. A fundamental challenge in RL for dVLAs is that the marginal probability of the final action generated by dVLAs remains intractable. To solve this problem, we propose \textbf{dVLA-RL}, shifting the learning objective from the marginal action probability to the joint probability of the sampled generation path. Specifically, by modeling the denoising process as a Markov Decision Process (MDP), we mathematically formulate this path probability as a product of step-wise transitions. This trajectory-level objective provides a unified formulation that natively accommodates variable denoising steps. Leveraging this intrinsic fexibility, we introduce a unified step scheduling approach for complex multi-task learning, tailoring denoising steps to specific task complexities to maximize both success rates and computational effciency. Extensive evaluations demonstrate that our approach achieves a success rate of \textbf{99.7\%} on LIBERO. Furthermore, it establishes strong VLA-based results on RoboTwin 2.0 by delivering a \textbf{30.6\%} improvement over the SFT baseline, remaining competitive with strong World-Action Model baselines.

cs.RO

PepLLM: ESM-Guided Llama for Structured Protein-Peptide Binding Interface Analysis

Protein-peptide interactions are central to cellular regulation and peptide-based drug discovery, yet existing computational methods mainly focus on interaction classification, binding-site prediction, or peptide binder generation. These formulations provide limited insight into the physicochemical mechanisms that determine how a peptide binds to a protein. In this work, we introduce \textbf{PepLLM}, an instruction-tuned framework for structured protein-peptide interface understanding. Given protein-peptide sequences, PepLLM generates a machine-readable JSON annotation describing multiple interface properties, including peptide burial state, hydrogen-bond density, salt-bridge presence, hotspot residues, hydrophobicity, and electrostatic complementarity. To support this task, we construct a new protein-peptide interface dataset by integrating structural interface analysis, solvent-accessible surface area computation, hydrophobic burial estimation, electrostatic potential calculation, and redundancy-aware data splitting. PepLLM connects a pretrained ESM encoder with a LLaMA decoder through a nonlinear modality adapter. The adapted ESM residue embeddings are injected into the LLaMA prompt as continuous soft tokens via placeholder-token replacement, enabling the decoder to generate structured interface annotations under instruction tuning. By moving beyond single-label prediction toward multi-property and mechanism-aware generation, PepLLM establishes a new task and modeling paradigm for interpretable protein-peptide interface analysis.

q-bio.BM

Ling and Ring 2.6 Technical Report: Efficient and Instant Agentic Intelligence at Trillion-Parameter Scale

Efficient and scalable agentic intelligence requires models that can deliver both low-latency responses and strong reasoning capabilities while remaining practical to train, serve, and deploy. In this report, we present Ling-2.6 and Ring-2.6, a family of models designed to address this challenge at scale. Ling-2.6 is optimized for instant response generation and high capability per output token, whereas Ring-2.6 is tailored for deeper reasoning and more advanced agentic workflows. Instead of training from scratch, we upgrade the Ling-2.0 base model through architectural migration pre-training and large-scale post-training. This upgrade is guided by a unified co-design of model architecture, optimization objectives, serving systems, and agent training environments, enabling improvements in both model capability and deployment efficiency. At the architectural level, we introduce a hybrid linear attention design that integrates Lightning Attention with MLA, improving the efficiency of long-context training and decoding. To further enhance token efficiency, we optimize capability per output token through Evolutionary Chain-of-Thought, Linguistic Unit Policy Optimization, bidirectional preference alignment, and shortest-correct-response distillation. For agentic capabilities, we propose KPop, a reinforcement learning framework designed to support stable training of Ring-2.6-1T on large-scale environment-grounded data. KPop improves training efficiency through asynchronous scheduling across coding, search, tool use, and workflow execution, enabling scalable learning from complex agent-environment interactions. Together, Ling-2.6 and Ring-2.6 provide a practical pathway toward efficient, scalable, and open agentic systems. We open-source all checkpoints in the 2.6 family to support further research and development in practical agentic intelligence.

cs.CL

Reasoning without Gold Standards: A Proxy-Judge Theory of Autoformalization

Complex reasoning tasks increasingly require systems to produce outputs whose correctness cannot be judged by exact match against a single reference. Autoformalization (AF) is a representative example; it asks a model to translate informal mathematical or logical reasoning into a formally checkable object, yet expert-validated formalizations do not scale beyond toy cases and a single informal argument can admit many valid formal renderings. Progress therefore depends on whether partial, structured proxies can substitute for exact references. We introduce a reference-free proxy-judge framework for AF that replaces gold-standard matching with a vector of per-axis property checks. The framework organizes the proxy along three structural scopes that cover global properties of the elicited object, per-module properties internal to its sub-components, and cross-domain properties that re-align it to the informal source, and aggregates each axis into a verdict vector. The vector drives a reflective refinement loop in which a violated coordinate routes the controller to a matching repair target, so each iteration changes only what is judged wrong. Under bounded judge noise, the expected intrinsic gap contracts geometrically to a noise-dependent plateau. Across seven formalization backbones on miniF2F, ProofNet, e-SNLI, and ProntoQA, refinement consistently lifts Pass Rate over the single-shot ICL baseline, and the per-axis proxy outperforms a matched scalar proxy on benchmarks where the baseline has room to improve. Structured proxy judgments therefore provide both a practical refinement signal and a theoretical handle on convergence when exact references are unavailable.

cs.CL