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Xuan Zhang

Publications and source records attributed to Xuan Zhang.

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Coherent Floquet quantum reservoirs for molecular property prediction

Quantum reservoir computing (QRC) uses quantum dynamics to represent input histories for prediction through a trained classical readout. Discrete time crystals (DTCs) exhibit robust subharmonic responses under periodic driving, and previous work has used their dynamics to construct DTC-QRC. Here we construct a DTC-based reservoir architecture to predict molecular properties from structural and dynamical observations. Coherent Floquet evolution processes local molecular graph events and surface-hopping frames, while controlled reset regulates the contribution of earlier inputs. Measurements at the end of each input sequence yield a feature vector of fixed dimension. Trained classical decoders use this vector for inhibitor-activity and blood--brain-barrier permeability classification and electronic-gap forecasting, while the reservoir parameters remain fixed during training. With matched input lengths and output widths, DTC-QRC outperforms echo-state networks on long-prefix graph classification and the studied ethene gap forecasting tasks. Dephasing lowers performance in both applications, consistent with a role for coherent propagation. Experiments on the Quafu superconducting quantum cloud platform show that pair observables retain task information under device noise. The architecture provides a common framework for molecular screening and time-resolved property prediction using quantum reservoir computing.

quant-ph

Harbor Adapters and Harbor-Index: Infrastructure and a Curated Meta-Dataset for Large-Scale Agentic Evaluation

Evaluating agents on the growing number of agentic benchmarks is challenging because they often require complex environments and agent integrations. We introduce Harbor Adapters, a unified evaluation infrastructure for agentic benchmarks. Our work makes three contributions. First, we develop benchmark adapters that port more than 80 benchmarks to evaluate arbitrary agents, and validate them through rigorous code review and parity experiments. Second, we conduct a large-scale evaluation of 8 models spanning capability tiers across 54 benchmarks; every model is run with Terminus-2 and with one of 3 native harnesses. This enables a broader analysis of agent capabilities and failure modes than was previously possible. Third, we introduce Harbor-Index, a curated set of 82 difficult, diverse, and high-quality tasks spanning 29 benchmarks, refined from the adapted suite through difficulty filtering, AI and human audit, and an audit-and-fix loop. Harbor-Index preserves the challenge and breadth of large-scale agentic evaluations while being affordable to run; no evaluated model-harness configuration exceeds 30% pass rate, and the strongest (GPT-5.5 with Codex) reaches 28.0%. We release the adapters, evaluation results, in-depth analysis, and Harbor-Index as open-source artifacts to support more reliable and comprehensive evaluation of language-model agents.

cs.AI

Start Classifying: Categorical Critics for LLM Reinforcement Learning

Proximal Policy Optimization (PPO) for large language models typically trains its critic by mean-squared-error (MSE) regression on scalar value targets. Although scalar MSE is statistically valid for estimating the conditional expected return, sparse binary rewards in reinforcement learning with verifiable rewards (RLVR) make critic optimization and calibration especially consequential: small value errors directly distort the scalar advantages used by PPO. We study whether a classification-based training objective can improve this critic signal. HL-Gauss PPO replaces the scalar MSE head with a categorical predictor over a discretized value support, trained by cross-entropy against smoothed HL-Gauss targets. Its output is decoded to a scalar expectation for standard GAE and PPO; the actor update is therefore unchanged and is not distributional. Across mathematical reasoning, tool-augmented math, and Search-R1, and on both Qwen2.5 and Qwen3 backbones, HL-Gauss PPO consistently improves over strong PPO and DAPO baselines. Controls with one-hot, two-hot, and Bernoulli two-bin critics show that neither a larger output head nor binary classification alone explains the gains. On a common collection of reasoning prefixes, HL-Gauss improves Brier score and calibration error and yields more symmetric, lower-variance advantages. These results position categorical value learning as an effective optimization surrogate for PPO critics in RLVR.

cs.LG

Knowledge before Reasoning: EC-Reason-Bench, a Training-Free Diagnostic Benchmark for LLM Enzyme Classification

Enzyme function prediction is a hierarchical, knowledge-intensive form of protein function classification. Existing benchmarks expose an anomaly: general LLMs often get the coarse first level right, yet once asked for a complete EC number their accuracy at levels two through four drops to almost zero, while specialized models and tools stay usable. We propose EC-Reason-Bench, a training-free, diagnostic evaluation protocol built to answer two questions: why general LLMs score close to nothing on EC number prediction, and how much of that loss can be recovered without updating a single weight. We break enzyme classification ability into four orthogonal levers that can each be measured on their own: output structure, external knowledge, reasoning structure, and reasoning robustness. We test each lever with an inference-time method against a shared zero-shot baseline reproducing previously reported near-zero performance. Experiments with several strong reasoning LLMs yield four main findings. First, external knowledge is decisive and must precede reasoning: uniformly low closed-book performance rises sharply with open-book access, narrowing model gaps. Second, in closed-book settings, whether cascading and chain-of-thought help or hurt depends on a model's tendency to abstain. Third, once evidence is available the aggregate score of the best LLM setting is indistinguishable from simply voting the EC numbers of the nearest retrieved neighbors; that tie is an artifact of averaging, and it hides a large gain on adversarial evidence set against an equally large loss on multi-functional enzymes. Reasoning over evidence therefore acts as an arbiter of conflicting neighbors rather than as a source of knowledge, and no single-number leaderboard can see it. Fourth, accuracy obeys a law of homology availability.

cs.CL

MPP-GNN: Subject-Adaptive Community Detection for fMRI-Based Alzheimer's Disease Classification

Functional magnetic resonance imaging (fMRI) is a widely used technique for studying the brain. Recent methods that utilize graph neural networks (GNNs) for analysis of brain functional connectivity have shown great potential for the classification of brain disorders, such as Alzheimer's disease (AD). However, these methods often assume a preset number of functional modules across all subjects, which overlooks inter-subject variability. In addition, the discovered modules are rarely used to directly guide the learned connectivity patterns. Here, to address these issues, we propose a Meta Probabilistic Pooling GNN (MPP-GNN). We frame the model's task as a coupled, bilevel optimization that performs adaptive graph partitioning hierarchically to discover subject-specific modules and then uses the discovered brain modules as an explicit prior to guide edge refinement and representation learning. We validate MPP-GNN on two public datasets for AD classification, achieving the highest AUC in comparison to established baselines for both datasets. Furthermore, our analysis demonstrates that MPP-GNN shows significant alignment with the canonical functional-network organization defined by the Yeo brain atlas and reveals a network-level dedifferentiation pattern for AD.

cs.LG

Continuously Stable Structure through Plastic Deformation

Soft robots have seen widespread adoption in interactive tasks due to their inherent compliance and adaptability. However, these advantages often come at the cost of stability, posing challenges in a dynamic environment. This limitation is especially critical in soft grippers, where instability under acceleration or external disturbances can result in grasp failure. In this study, we present a continuously stable structure through plastic deformation (CSSPD), integrated into a soft gripper. By leveraging the mechanism of plastic deformation, the gripper maintains continuous configurations without energy input, while the added stiffness ensures both static and dynamic stability. We introduce a bioinspired paw pad that significantly enhances stability and enables sensing-based rapid object grasping. Then we develop the mathematical model and optimize the kirigami structure of the metal layer. Experimental results show that the gripper can sustain a passive holding force of up to 16 N without energy input, achieving performance comparable to pneumatic actuation at 0.3 MPa. When combined with pneumatic actuation, it remains stable under pulsed accelerations of up to 400 m/s^2. It can also passively perch on tree branches for extended periods without power, demonstrating promise for mobile robotic applications.

cs.RO

Self-Evolving World Models for LLM Agent Planning

World models offer a principled way to equip long-horizon LLM agents with foresight: predictions of action consequences before execution. However, unreliable foresight can be ignored, misused, or even degrade downstream decision-making. In this paper, we introduce WorldEvolver, a self-evolving world model framework that revises its deployment-time context while keeping the downstream agent and all model parameters frozen. WorldEvolver integrates three modules: (i) Episodic Memory, which exploits real action transitions through retrieval-based simulation; (ii) Semantic Memory, which extracts persistent heuristic rules from prediction-observation mismatches; and (iii) Selective Foresight, which filters low-confidence predictions before integrating them into agent reasoning context. We evaluate WorldEvolver on ALFWorld and ScienceWorld, measuring world model prediction accuracy on Word2World and downstream agent success rate on AgentBoard. Extensive experiments show that WorldEvolver achieves the highest prediction accuracy across three backbones and leads other world model baselines on downstream agent success rate, demonstrating that test-time memory revision enhances both predictive fidelity and planning performance.

cs.AI

Internalizing the Future: A Unified Agentic Training Paradigm for World Model Planning

Large language model (LLM) agents have demonstrated strong capability in sequential decision-making, yet they remains fundamentally reactive in long-horizon tasks. Unlike humans who employ "what-if" reasoning to evaluate potential plans before commitment, standard agents lack an internal world model to simulate future outcomes. Therefore, we propose to internalize future-aware planning by training a single autoregressive model to verbalize both a prospective state rollout and a plan-conditioned success estimate-a textual analogue of the Q-value. Crucially, we identify a format-capability gap: simply fine-tuning agents on look-ahead traces during post-training leads to superficial mimicry of foresight without genuine predictive grounding. To bridge this gap, we introduce a three-stage training paradigm: (i) World Model Agentic Mid-Training (WM-AMT) to inject latent predictive capabilities into the policy; (ii) Format-Eliciting SFT (FE-SFT) to structure this injected capability; and (iii) Foresight-Conditioned Reinforcement Learning (FC-RL) to refine the calibration and utility of the generated simulations. Evaluated on search and mathematical reasoning tasks, our approach consistently outperforms other training baselines. Our results demonstrate that effective internal world modeling in LLM agents requires a capability-first training pipeline to achieve grounded and calibrated foresight.

cs.AI

Prompt2Effect: Training-Free Image-to-Video Model Specialization via LoRA Generation

While personalizing Image-to-Video (I2V) diffusion models with specific visual effects is increasingly demanded for high-end generation, current practice requires training a separate Low-Rank Adaptation (LoRA) module for each effect, incurring substantial data curation and iterative optimization costs that hinder interactive control. We present Prompt2Effect, a weight-driven hypernetwork that amortizes per-effect training by directly synthesizing effect-specific LoRA weights in a single forward pass. Unlike prior hypernetworks that regress adapter weights purely from semantics, Prompt2Effect is explicitly conditioned on the frozen base model weights, grounding prediction in the structural geometry of each layer. Furthermore, instead of predicting raw LoRA matrices, we introduce an SVD-canonicalized parameterization that resolves factorization ambiguity and stabilizes large-scale synthesis. Extensive experiments demonstrate that Prompt2Effect achieves on-par or superior video quality and effect alignment compared to conventional LoRA fine-tuning, while reducing the computational cost from 56 GPU training hours to 3.3 seconds of hypernetwork inference. When used as initialization for subsequent fine-tuning, our predicted weights further improve final performance and accelerate optimization by approximately 10x.

cs.CV

Knowledge Index of Noah's Ark

Knowledge benchmarks for LLMs face three issues: scaling-driven designs that do not operationalize disciplinary representativeness; flat-payment annotation that permits lazy consensus; and unaudited ranking instability under bounded test budgets. We introduce KINA, an 899-item benchmark across 261 fine-grained disciplines, with two formal results. First, we cast representativeness as a coverage-style objective over expert-elicited anchors and operationalize disciplinary representativeness through a proxy, yielding a (1-1/e) greedy approximation (Proposition 1); the guarantee applies to the proxy, not to population representativeness. Second, we prove a bonus-on-bar tournament weakly FOSD-dominates flat payment in released-review quality, with incentive-compatibility threshold B > Delta C / Delta p_min (Theorem 1). Evaluating 42 models from 13 labs, the top model, Gemini-3.1-Pro-Preview, reaches 53.17%, followed by Claude-Opus-4.6 at 49.92% and GPT-5.4 at 48.55%, leaving substantial headroom below saturation. The full leaderboard shows a tiered structure rather than a smooth total order: a small frontier tier lies above 48%, a dense strong-model tier spans roughly 38-45%, and low-performing models remain only modestly above the 10% chance baseline. Tool augmentation adds up to 5.17 points across the five tool-use evaluations, with gains varying substantially across models. We report bootstrap ranking-stability statistics to make bounded-budget variance explicit and to discourage over-interpretation of adjacent ranks.

cs.AI

Flash-WAM: Modality-Aware Distillation for World Action Models

World-action models (WAMs) jointly generate future video and robot actions through iterative diffusion, achieving strong performance on manipulation benchmarks but requiring tens of denoising steps, a cost that precludes real-time control. Step distillation has emerged as the natural remedy, but off-the-shelf methods break down in the joint video-action setting because video and action streams use different SNR-shifted noise schedules and reach training with substantially different marginal noise distributions, an asymmetry that single-modality distillation methods cannot accommodate. We introduce \textbf{Flash-WAM}, a modality-aware step-distillation framework inspired by consistency distillation that selects the consistency function for each modality to match its noise regime: a linear-gradient-scaling parametrization for the action stream's low-noise regime, paired with a variance-preserving parametrization for the video stream's high-noise regime, grounded in a structural analysis of the consistency-function family that characterizes the achievable gradient scaling under the consistency boundary condition. Instantiated on LingBot-VA, Flash-WAM compresses inference to a single step in each modality. On RoboTwin 2.0, this reduces per-chunk latency from $8.1$ seconds to $348$ ms on NVIDIA L40S, a $23{\times}$ speedup that enables real-time inference. Flash-WAM preserves task success on simulation benchmarks ($85.5\%$ RoboTwin 2.0, $95.7\%$ LIBERO) and substantially recovers real-world performance ($60\%$ average on a Unitree G1 humanoid robot), while naive consistency distillation drops to $24\%$ at the same step budget.

cs.LG

Dr. DocBench: A Comprehensive Benchmark for Expert-Level and Difficult Document Parsing

Document parsing and recognition are fundamental capabilities for vision-language models (VLMs) and document processing systems. However, existing Optical Character Recognition (OCR) and document parsing benchmarks are increasingly limited in coverage and difficulty: many focus on common document genres or uniformly sampled pages where modern parsers already perform strongly, while offering limited annotation for expert-domain structures such as chemical formula, music notation, complex tables, and cross-page layouts. We introduce Dr. DocBench, a difficulty-aware benchmark for expert-level document parsing. Built from a large-scale multilingual book corpus, Dr. DocBench spans 52 BISAC subject domains and selects challenging documents through parser-failure-based sampling, targeting cases where multiple state-of-the-art systems struggle. It contains 4,514 annotated pages from long documents averaging around 100 pages, with 65k high-quality page- and block-level annotations for layout, reading order, hierarchical relations, and domain-specific visual contents. Evaluations of pipeline-based parsers and general-purpose VLMs show that strong performance on existing benchmarks does not transfer to our expert-level document parsing. Our analysis reveals substantial failures across subjects, content types, and structural attributes, highlighting Dr. DocBench as a comprehensive testbed for diagnosing and advancing document intelligence.

cs.CL

IntentionNav: A Benchmark for Intent-Driven Object Navigation from Implicit Human Instruction

Existing object navigation benchmarks usually tell an embodied agent which object category to find, such as microwave or chair. Human-facing embodied AI is often asked something less direct: "I need something to warm this food" or "the room feels stuffy." The agent must infer the object that can satisfy the need, find a scene-grounded instance, and decide whether the goal has been reached. We study this setting as intent-driven object navigation and introduce IntentionNav, a diagnostic benchmark for active object search from implicit human instructions. Each episode provides a free-text intent, RGB-D observations, and pose, but withholds the target object name. IntentionNav contains 500 intents over 176 Isaac Sim scenes and 64 target categories. Each intent is rewritten in four controlled instruction styles and annotated with one of four intent modes, separating surface phrasing from semantic cue type under matched geometry. This paired design supports analysis of target inference, language robustness, neighborhood reachability, and terminal success rather than only aggregate success. We evaluated three VLMs using a fixed active-navigation agent. Models identify the intended target in 48.3 percent of episodes and enter its 2 m neighborhood in 68.7 percent, but terminate successfully in only 24.9 percent and achieve grounded 1 m success in 5.5 percent. Success is highest for event-script intents (28.7 percent) and lower for physical-state and affordance intents (19.2 percent and 18.5 percent), showing that indirect human intent remains a bottleneck for target selection, visual verification, and terminal localization in active embodied search.

cs.CV

Deep Learning-Based Automated Quantification of TIMI Myocardial Perfusion Frame Count (DL-TMPFC) from Coronary Angiography: A Novel Framework for Rapid Assessment of Microvascular Dysfunction

Aims: Coronary microvascular dysfunction (CMVD) affects approximately 40%-60% of patients with ischemia and non-obstructive coronary arteries, yet diagnosis remains challenging due to reliance on invasive functional testing or subjective Thrombolysis In Myocardial Infarction (TIMI) flow grade. The TIMI Myocardial Perfusion Frame Count (TMPFC) offers an objective, angiography-based quantitative measure of CMVD, but its clinical translation is hindered by cumbersome manual calculation and insufficient validation. This study aims to develop and validate a deep learning-powered TMPFC calculation (DL-TMPFC), enabling integration into clinical workflows. Methods and results: DL-TMPFC framework comprised two components. A stenosis detection network first excluded obstructive coronary artery disease (CAD). A territory-aware segmentation network then identified perfusion territories and TMPFC calculation module automatically determined the first and last frames from angiographic sequences. The framework was validated in a cohort of 655 patients (445 of obstructive CAD, 100 of confirmed CMVD, 110 of control group) from three independent institutions. DL-TMPFC showed excellent agreement with expert manual measurements (bias: -0.93 frames; 95% LoA: -5.33 to +3.47; r =0.98). DL-TMPFC markedly enhanced clinical feasibility by fully automating TMPFC and removing observer dependence. Clinically, DL-TMPFC accurately identified CMVD across a full spectrum of coronary pathologies and captured the continuous severity of CMVD beyond binary classification, enabling quantitative risk stratification. Conclusion: DL-TMPFC enabled automatic, standardized, and accurate quantification of CMVD directly from routine angiography. By providing an automatic and objective measure, this tool provided immediate diagnostic information for timely recognition and management of CMVD in clinical practice.

cs.CV

MARS-DA: A Hierarchical Reinforcement Learning Framework for Risk-Aware Multi-Agent Bidding in Power Grids

The increasing penetration of renewable energy has introduced substantial volatility into wholesale electricity markets, complicating the optimal bidding strategies for power producers. Traditional Reinforcement Learning (RL) approaches often struggle to balance profit maximization with risk management, frequently overfitting to specific market conditions or failing to account for the stochastic spread between Day-Ahead (DA) and Real-Time (RT) settlements. To address these challenges, this paper makes two primary contributions. First, we introduce and open-source a high-fidelity gymnasium environment for two-settlement electricity market bidding. Grounded in extensive empirical data from the PJM Interconnection, the environment explicitly models the interplay between DA commitments and RT deviations, providing a standardized testbed for general and risk-sensitive agents. Second, we propose MARS-DA (Multi-Agent Regime-Switching for Day-Ahead markets), a novel hierarchical framework that orchestrates distinct sub-policies for risk management and profit seeking. MARS-DA utilizes a top-level Meta-Controller to dynamically blend the actions of two specialized base agents: a "Safe Agent" that optimizes for reliable DA allocation and a "Speculator Agent" that targets volatile RT arbitrage opportunities. Extensive experiments demonstrate that MARS-DA achieves superior risk-adjusted returns compared to state-of-the-art baselines while maintaining robust regime alignment during periods of extreme market volatility.

cs.MA

GR-Ben: A General Reasoning Benchmark for Evaluating Process Reward Models

Currently, process reward models (PRMs) have exhibited remarkable potential for test-time scaling. Since large language models (LLMs) regularly generate flawed intermediate reasoning steps when tackling a broad spectrum of reasoning and decision-making tasks, PRMs are required to possess capabilities for detecting process-level errors in real-world scenarios. However, existing benchmarks primarily focus on mathematical reasoning, thereby failing to comprehensively evaluate the error detection ability of PRMs across diverse reasoning scenarios. To mitigate this gap, we introduce GR-Ben, a process-level benchmark specifically designed for assessing PRM's performance across two primary reasoning domains (science and logic) and nine subdomains. We conduct extensive experiments on a diverse set of 22 models, encompassing both PRMs and LLMs, and derive two key findings: (1) In domains beyond mathematical reasoning, the error-detection ability of existing PRMs and LLMs is found to be markedly weaker by comparison.(2) In general, PRMs are less adept at identifying knowledge-based errors, whereas LLMs exhibit poorer performance in detecting computational errors. We hope GR-Ben can foster future researches on PRMs for general domains, thereby enhancing the reasoning capabilities of LLMs.

cs.AI

A Comparative Evaluation of AI Agent Security Guardrails

This report presents a comparative evaluation of DKnownAI Guard in AI agent security scenarios, benchmarked against three competing products: AWS Bedrock Guardrails, Azure Content Safety, and Lakera Guard. Using human annotation as the ground truth, we assess each guardrail's ability to detect two categories of risks: threats to the agent itself (e.g., instruction override, indirect injection, tool abuse) and requests intended to elicit harmful content (e.g., hate speech, pornography, violence). Evaluation results demonstrate that DKnownAI Guard achieves the highest recall rate at 96.5\% and ranks first in true negative rate (TNR) at 90.4\%, delivering the best overall performance among all evaluated guardrails.

cs.CR

MMEB-V3: Measuring the Performance Gaps of Omni-Modality Embedding Models

Multimodal embedding models aim to map heterogeneous inputs, such as text, images, videos, and audio, into a shared semantic space. However, existing methods and benchmarks remain largely limited to partial modality coverage, making it difficult to systematically evaluate full-modality representation learning. In this work, we take a step toward the full-modality setting. We introduce MMEB-V3, a comprehensive benchmark that evaluates embeddings across text, image, video, audio, as well as agent-centric scenarios. To enable more fine-grained diagnosis, we further construct OmniSET (Omni-modality Semantic Equivalence Tuples), where semantically equivalent instances are represented across modalities, allowing us to disentangle semantic similarity from modality effects. Through experiments on MMEB-V3, we conduct a systematic analysis of full-modality embeddings and identify three key findings: (1) models often fail to retrieve the intended target modality; (2) cross-modal retrieval is highly asymmetric and dominated by query-modality bias; and (3) instruction-induced shifts are either insufficient or misaligned with the target modality, and therefore do not reliably improve retrieval. These results indicate that current multimodal embeddings are not yet capable of reliably enforcing modality constraints specified by instructions, and consequently fail to exhibit consistent modality-aware retrieval behavior. We hope MMEB-V3 provides a useful benchmark for understanding and diagnosing these limitations, and for guiding future research on full-modality embeddings.

cs.IR