arXiv subjects

Yuan Huang

Publications and source records attributed to Yuan Huang.

At least 19 recordsLinked to original sources

arXiv2026

The Computational Complexity of Holant Problems on 4-regular Graphs from the Stable Subgroup Sequence of $SL(2,\mathbb{C})$

The Holant framework provides a general setting for studying counting problems and includes graph homomorphisms (\#GH) and counting constraint satisfaction problems (\#CSP) as special cases. Over the past twenty years, a series of computational complexity dichotomies have been established for Holant problems, but the classification for complex-valued signatures is still open. The main obstacle is the case in which all signatures have even arity. In this paper, we establish a dichotomy for Holant problems with a complex-valued 4-ary signature, which is a key base case for the full classification of Holant problems. We present a new strategy by introducing Schur's theorem, the classification of finite subgroups of $\mathrm{SL}(2,\mathbb{C})$ and stable subgroup sequences into the proof. These new techniques are of independent interest.

cs.CC↗

arXiv2026

A Trust-Network-Based Federated Learning Framework for Multi-Center Aging Clock Prediction

Aging clocks quantify biological aging and help characterize individual health status. What protein interactions are important for accurate aging clocks, and are they zeroth-order or higher-order? Addressing these questions requires learning from large molecular datasets distributed across medical centers, where privacy constraints prevent centralized data sharing. Federated learning offers a natural solution but faces four challenges in this setting: limited local sample sizes, sparse and directional inter-center trust, the need to retain discriminative age prediction while supporting interpretation, and model drift and forgetting under heterogeneous cross-center data. We propose TNFL, a trust-network-based federated learning framework that progressively propagates models along directed pairwise trust relations without centralized aggregation. TNFL combines an age-aware mixture-of-experts model with generative replay to preserve previously learned information and reduce forgetting and drift. Experiments across multiple molecular datasets show that TNFL enables effective aging-clock prediction with limited local data, provides interpretable age-dependent prediction patterns, and maintains stable performance across interaction orders. To investigate the biological questions, we analyze TNFL-identified pairwise protein interactions and their higher-order organization through functional and network analyses. The identified interactions repeatedly form coordinated higher-order subnetworks spanning multiple aging-related biological systems, with several proteins recurring across subnetworks. These findings suggest that TNFL captures molecular relationships beyond isolated pairwise associations and reveals coherent higher-order biological organization associated with aging.

cs.LG↗

arXiv2026

Multidimensional Design of Metal-Nitrogen-Carbon Electrocatalysts for Direct Propylene Epoxidation

Propylene oxide is a major industrial chemical whose production currently relies on hazardous chlorine- or peroxide-based oxidants. Direct electrochemical epoxidation using water as the oxygen source offers a sustainable alternative, but controlling oxygen-atom transfer against the competing oxygen evolution reaction remains a fundamental challenge. Here, we show that propylene epoxidation selectivity cannot be described by oxygen binding energy alone, but is jointly governed by oxygen adsorption, the potential of zero charge, and applied potential. By combining theoretical calculations with pH-field-coupled microkinetic modeling across 41 metal-nitrogen-carbon single-atom catalysts, we first identified an optimal oxygen-binding window and Co as the most favorable metal center. We then found that peripheral substituents can tune the PZC while largely preserving the optimal oxygen adsorption energetics, thereby providing an independent design dimension to further optimize the already favorable Co active site. This sequential, multidimensional design strategy identified CoPc-NH2-CNT as the optimal catalyst, delivering a record PO Faradaic efficiency of 70-80 percent for direct propylene epoxidation in aqueous electrolyte under ambient conditions. These results establish interfacial electrostatics as an independently tunable design dimension for controlling selective oxygen-atom transfer in electrocatalysis.

physics.chem-ph↗

arXiv2026

Unobserved Heterogeneity in Threshold Regression Based on the Hitting Times of a Reflected Brownian Motion for Recurrent Hypoglycemia

Analyses of recurrent hypoglycemia are critical for effective treatment management in diabetic patients. Typically, within-subject dependency in such analyses is captured through subject-level frailty. Recent research has modeled recurrent hypoglycemia using the first hitting times of a reflected Brownian motion. A close examination of this approach reveals that it does not adequately account for varying frailties among individuals, which indicate notable heterogeneity. To address this gap, we propose a finite mixture model of the first hitting time distribution of the reflected Brownian motion. This model allows for component-specific regression coefficients and frailty parameters, providing nuanced insights into how risk factors differently affect patient subgroups. We employ a Bayesian framework for inference, utilizing Markov chain Monte Carlo for estimation. Model selection is conducted using the Deviance Information Criterion and the Logarithm of the Pseudo-Marginal Likelihood. The effectiveness of these criteria is assessed through simulation studies. Application to recurrent hypoglycemia modeling revealed two subgroups with different risk profiles, as reflected in their volatilities. Bayesian model comparison criteria favor the model with component specific regression coefficients for volatilities. The subgroup with lower volatility exhibits a larger variance and, hence, a greater level of heterogeneity.

stat.ME↗

arXiv2026

Emergent critical phases of the Ashkin-Teller model on the Union-Jack Lattice

The Ashkin-Teller (AT) model is a classic spin model in statistical mechanics. For traditional homogeneous lattices like triangular and kagome lattices, even when frustration exists, the model only has one ferromagnetic-paramagnetic critical line in the $J>0$ and $K<0$ region. However, in this paper, for the Union Jack lattice, where the lattice coordination numbers are 4, 8, and 8 and which also contains a large number of small triangular units, using Metropolis Monte Carlo method, we find that, the critical line of the AT model splits into two Berezinskii-Kosterlitz-Thouless(BKT) boundaries, and a critical phase emerges in the intermediate region. This phenomenon is the combined result of frustration, lattice inhomogeneity and the two coupled spin degrees of freedom inherent to the AT model. In detail, the novel critical phase characterized by a power-law decay of magnetization with system size, where the correlation length ratio $\xi/L$ remains finite even in the thermodynamic limit. We also introduce the susceptibility $\widetilde{\chi} = \text{d}\langle m \rangle /\text{d}J$ as a key probe, and through this probe, pseudo-critical points $J_c(L)$ are observed to scale proportionally to $(\ln L)^{-2}$, a behavior consistent with BKT criticality. Since superfluids, superconductors, and supersolids all possess quasi-long-range order and fall into the category of critical phases, our results could also inspire the exploration of such quantum phases.

cond-mat.stat-mech↗

arXiv2026

A fast Physics-Informed Neural Networks based approach to the 2D design of turbine blades

Rapid aerodynamic screening of turbomachinery blades across wide operating envelopes remains a major computational bottleneck in preliminary design, particularly for energy-conversion and storage systems such as emerging Carnot batteries. Physics-informed neural networks (PINNs) offer a mesh-free alternative to conventional CFD, yet convergence and accuracy often deteriorate for complex blade geometries and off-design flows. We propose a progressive Euler-PINN framework that (i) gradually relaxes boundary conditions from tunnel flow without a blade to full outlet static pressure, and (ii) employs a geometry-aware dynamic loss-weighting scheme that intensifies residual penalties near highly curved boundaries. To the best of our knowledge, this is the first study to deploy a single PINN workflow for large-scale, engineering-grade screening of turbomachinery blade families across multiple operating conditions, covering ten NACA6 variants and 30 subsonic operating points. The proposed framework achieves CFD-comparable accuracy for pressure and velocity fields while reducing the computational cost required for family-wide blade screening. These results establish the method as a practical surrogate for two-dimensional turbomachinery blade pre-design and optimisation.

physics.flu-dyn↗

arXiv2026

Statistical inference with win statistics in cluster-randomized trials with composite outcomes

Win statistics have become increasingly popular for analyzing hierarchical composite endpoints in clinical trials, because they summarize treatment benefit through pairwise comparisons that respect the clinical importance order among outcome components. The win ratio, win odds, net benefit, and desirability of outcome ranking (DOOR) are all based on the same underlying pairwise comparison methodology and can complement one another to show the strength of the treatment effect. Despite recent progress on win statistics, statistical inference for win statistics in cluster randomized trials (CRTs) remains underdeveloped. In this paper, we provide a comprehensive survey of testing procedures for the win ratio, win odds, net benefit, and DOOR in parallel-arm CRTs with hierarchical composite outcomes. Then based on each win statistic, we compare different testing procedures, including Wald tests based on cluster rank sum statistics and bivariate clustered U-statistics, tests that use a cluster jackknife variance, a score permutation test, a permutation based procedure with analytical variance estimation, and likelihood ratio test derived from clustered jackknife estimates. Through simulation studies that consider varying scenarios such as different cluster sizes, intracluster correlations, and censoring-induced ties, we characterize the finite-sample type I error and power of each procedure across a range of practical settings with small and large numbers of clusters.We illustrate our methods by reanalyzing the Strategies to Reduce Injuries and Develop Confidence in Elders (STRIDE) pragmatic CRT, and implement all win statistics methods in the WinsCRT R package.

stat.ME↗

arXiv2026

DreamStereo: Towards Real-Time Stereo Inpainting for HD Videos

Stereo video inpainting, which aims to fill the occluded regions of warped videos with visually coherent content while maintaining temporal consistency, remains a challenging open problem. The regions to be filled are scattered along object boundaries and occupy only a small fraction of each frame, leading to two key challenges. First, existing approaches perform poorly on such tasks due to the scarcity of high-quality stereo inpainting datasets, which limits their ability to learn effective inpainting priors. Second, these methods apply equal processing to all regions of the frame, even though most pixels require no modification, resulting in substantial redundant computation. To address these issues, we introduce three interconnected components. We first propose Gradient-Aware Parallax Warping (GAPW), which leverages backward warping and the gradient of the coordinate mapping function to obtain continuous edges and smooth occlusion regions. Then, a Parallax-Based Dual Projection (PBDP) strategy is introduced, which incorporates GAPW to produce geometrically consistent stereo inpainting pairs and accurate occlusion masks without requiring stereo videos. Finally, we present Sparsity-Aware Stereo Inpainting (SASI), which reduces over 70% of redundant tokens, achieving a 10.7x speedup during diffusion inference and delivering results comparable to its full-computation counterpart, enabling real-time processing of HD (768 x 1280) videos at 25 FPS on a single A100 GPU.

cs.CV↗

arXiv2026

Deploy-Master: Automating the Deployment of 50,000+ Agent-Ready Scientific Tools in One Day

Open-source scientific software is abundant, yet most tools remain difficult to compile, configure, and reuse, sustaining a small-workshop mode of scientific computing. This deployment bottleneck limits reproducibility, large-scale evaluation, and the practical integration of scientific tools into modern AI-for-Science (AI4S) and agentic workflows. We present Deploy-Master, a one-stop agentic workflow for large-scale tool discovery, build specification inference, execution-based validation, and publication. Guided by a taxonomy spanning 90+ scientific and engineering domains, our discovery stage starts from a recall-oriented pool of over 500,000 public repositories and progressively filters it to 52,550 executable tool candidates under license- and quality-aware criteria. Deploy-Master transforms heterogeneous open-source repositories into runnable, containerized capabilities grounded in execution rather than documentation claims. In a single day, we performed 52,550 build attempts and constructed reproducible runtime environments for 50,112 scientific tools. Each successful tool is validated by a minimal executable command and registered in SciencePedia for search and reuse, enabling direct human use and optional agent-based invocation. Beyond delivering runnable tools, we report a deployment trace at the scale of 50,000 tools, characterizing throughput, cost profiles, failure surfaces, and specification uncertainty that become visible only at scale. These results explain why scientific software remains difficult to operationalize and motivate shared, observable execution substrates as a foundation for scalable AI4S and agentic science.

cs.SE↗

arXiv2025

CoHalLo: code hallucination localization via probing hidden layer vector

The localization of code hallucinations aims to identify specific lines of code containing hallucinations, helping developers to improve the reliability of AI-generated code more efficiently. Although recent studies have adopted several methods to detect code hallucination, most of these approaches remain limited to coarse-grained detection and lack specialized techniques for fine-grained hallucination localization. This study introduces a novel method, called CoHalLo, which achieves line-level code hallucination localization by probing the hidden-layer vectors from hallucination detection models. CoHalLo uncovers the key syntactic information driving the model's hallucination judgments and locates the hallucinating code lines accordingly. Specifically, we first fine-tune the hallucination detection model on manually annotated datasets to ensure that it learns features pertinent to code syntactic information. Subsequently, we designed a probe network that projects high-dimensional latent vectors onto a low-dimensional syntactic subspace, generating vector tuples and reconstructing the predicted abstract syntax tree (P-AST). By comparing P-AST with the original abstract syntax tree (O-AST) extracted from the input AI-generated code, we identify the key syntactic structures associated with hallucinations. This information is then used to pinpoint hallucinated code lines. To evaluate CoHalLo's performance, we manually collected a dataset of code hallucinations. The experimental results show that CoHalLo achieves a Top-1 accuracy of 0.4253, Top-3 accuracy of 0.6149, Top-5 accuracy of 0.7356, Top-10 accuracy of 0.8333, IFA of 5.73, Recall@1% Effort of 0.052721, and Effort@20% Recall of 0.155269, which outperforms the baseline methods.

cs.SE↗

arXiv2025

Bohrium + SciMaster: Building the Infrastructure and Ecosystem for Agentic Science at Scale

AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assisted steps toward \emph{agentic science at scale}. This shift is increasingly feasible, as scientific tools and models can be invoked through stable interfaces and verified with recorded execution traces, and increasingly necessary, as AI accelerates scientific output and stresses the peer-review and publication pipeline, raising the bar for traceability and credible evaluation. However, scaling agentic science remains difficult: workflows are hard to observe and reproduce; many tools and laboratory systems are not agent-ready; execution is hard to trace and govern; and prototype AI Scientist systems are often bespoke, limiting reuse and systematic improvement from real workflow signals. We argue that scaling agentic science requires an infrastructure-and-ecosystem approach, instantiated in Bohrium+SciMaster. Bohrium acts as a managed, traceable hub for AI4S assets -- akin to a HuggingFace of AI for Science -- that turns diverse scientific data, software, compute, and laboratory systems into agent-ready capabilities. SciMaster orchestrates these capabilities into long-horizon scientific workflows, on which scientific agents can be composed and executed. Between infrastructure and orchestration, a \emph{scientific intelligence substrate} organizes reusable models, knowledge, and components into executable building blocks for workflow reasoning and action, enabling composition, auditability, and improvement through use. We demonstrate this stack with eleven representative master agents in real workflows, achieving orders-of-magnitude reductions in end-to-end scientific cycle time and generating execution-grounded signals from real workloads at multi-million scale.

cs.AI↗

arXiv2025

Comment Traps: How Defective Commented-out Code Augment Defects in AI-Assisted Code Generation

With the rapid development of large language models in code generation, AI-powered editors such as GitHub Copilot and Cursor are revolutionizing software development practices. At the same time, studies have identified potential defects in the generated code. Previous research has predominantly examined how code context influences the generation of defective code, often overlooking the impact of defects within commented-out code (CO code). AI coding assistants' interpretation of CO code in prompts affects the code they generate. This study evaluates how AI coding assistants, GitHub Copilot and Cursor, are influenced by defective CO code. The experimental results show that defective CO code in the context causes AI coding assistants to generate more defective code, reaching up to 58.17 percent. Our findings further demonstrate that the tools do not simply copy the defective code from the context. Instead, they actively reason to complete incomplete defect patterns and continue to produce defective code despite distractions such as incorrect indentation or tags. Even with explicit instructions to ignore the defective CO code, the reduction in defects does not exceed 21.84 percent. These findings underscore the need for improved robustness and security measures in AI coding assistants.

cs.SE↗

arXiv2025

Integrating Prioritized and Non-Prioritized Structures in Win Statistics

Composite endpoints are frequently used as primary or secondary analyses in cardiovascular clinical trials to increase clinical relevance and statistical efficiency. Alternatively, the Win Ratio (WR) and other Win Statistics (WS) analyses rely on a strict hierarchical ordering of endpoints, assigning higher priority to clinically important endpoints. However, determining a definitive endpoint hierarchy can be challenging and may not adequately reflect situations where endpoints have comparable importance. In this study, we discuss the challenges of endpoint prioritization, underscore its critical role in WS analyses, and propose Rotation WR (RWR), a hybrid prioritization framework that integrates both prioritized and non-prioritized structures. By permitting blocks of equally-prioritized endpoints, RWR accommodates endpoints of equal or near equal clinical importance, recurrent events, and contexts requiring individualized shared decision making. Statistical inference for RWR is developed using U-statistics theory, including the hypothesis testing procedure and confidence interval construction. Extensions to two additional WS measures, Rotation Net Benefit and Rotation Win Odds, are also provided. Through extensive simulation studies involving multiple time-to-event endpoints, including recurrent events, we demonstrate that RWR achieves valid type I error control, desirable statistical power, and accurate confidence interval coverage. We illustrate both the methodological and practical insights of our work in a case study on endpoint prioritization with the SPRINT clinical trial, highlighting its implications for real-world clinical trial studies.

stat.ME↗

arXiv2025

A Non-Bipartite Matching Framework for Difference-in-Differences with General Treatment Types

Difference-in-differences (DID) is one of the most widely used causal inference frameworks in observational studies. However, most existing DID methods are designed for binary treatments and cannot be readily applied to non-binary treatment settings. Although recent work has begun to extend DID to non-binary (e.g., continuous) treatments, these approaches typically require strong additional assumptions, including parametric outcome models or the presence of idealized comparison units with (nearly) static treatment levels over time (commonly called ``stayers'' or ``quasi-stayers''). In this technical note, we introduce a new non-bipartite matching framework for DID that naturally accommodates general treatment types (e.g., binary, ordinal, or continuous). Our framework makes three main contributions. First, we develop an optimal non-bipartite matching design for DID that jointly balances baseline covariates across comparable units (reducing bias) and maximizes contrasts in treatment trajectories over time (improving efficiency). Second, we establish a post-matching randomization condition, the design-based counterpart to the traditional parallel-trends assumption, which enables valid design-based inference. Third, we introduce the sample average DID ratio, a finite-population-valid and fully nonparametric causal estimand applicable to arbitrary treatment types. Our design-based approach that preserves the full treatment-dose information, avoids parametric assumptions, does not rely on the existence of stayers or quasi-stayers, and operates entirely within a finite-population framework, without appealing to hypothetical super-populations or outcome distributions.

stat.ME↗

arXiv2025

Correlation Matters! Streamlining the Sample Size Procedure with Composite Time-to-event Endpoints

Composite endpoints are widely used in cardiovascular clinical trials to improve statistical efficiency while preserving clinical relevance. The Win Ratio (WR) measure and more general frameworks of Win Statistics have emerged as increasingly popular alternatives to traditional time-to-first-event analyses. Although analytic sample size formulas for WR have been developed, they rely on design parameters that are often not straightforward to specify. Consequently, sample size determination in clinical trials with WR as the primary analysis is most often based on simulations, which can be computationally intensive. Moreover, these simulations commonly assume independence among component endpoints, an assumption that may not hold in practice and can lead to misleading power estimates. To address this challenge, we derive refined formulas to calculate the proportions of wins, losses, and ties for multiple prioritized time-to-event endpoints. These formulas rely on familiar design inputs and become directly applicable when integrated with existing sample size methods. We conduct a comprehensive assessment of how correlation among endpoints affects sample size requirements across varying design features. We further demonstrate the role of correlations through two case studies based on the landmark SPRINT and STICH clinical trials to generate further insights.

stat.ME↗

arXiv2025

Inverse Knowledge Search over Verifiable Reasoning: Synthesizing a Scientific Encyclopedia from a Long Chains-of-Thought Knowledge Base

Most scientific materials compress reasoning, presenting conclusions while omitting the derivational chains that justify them. This compression hinders verification by lacking explicit, step-wise justifications and inhibits cross-domain links by collapsing the very pathways that establish the logical and causal connections between concepts. We introduce a scalable framework that decompresses scientific reasoning, constructing a verifiable Long Chain-of-Thought (LCoT) knowledge base and projecting it into an emergent encyclopedia, SciencePedia. Our pipeline operationalizes an endpoint-driven, reductionist strategy: a Socratic agent, guided by a curriculum of around 200 courses, generates approximately 3 million first-principles questions. To ensure high fidelity, multiple independent solver models generate LCoTs, which are then rigorously filtered by prompt sanitization and cross-model answer consensus, retaining only those with verifiable endpoints. This verified corpus powers the Brainstorm Search Engine, which performs inverse knowledge search -- retrieving diverse, first-principles derivations that culminate in a target concept. This engine, in turn, feeds the Plato synthesizer, which narrates these verified chains into coherent articles. The initial SciencePedia comprises approximately 200,000 fine-grained entries spanning mathematics, physics, chemistry, biology, engineering, and computation. In evaluations across six disciplines, Plato-synthesized articles (conditioned on retrieved LCoTs) exhibit substantially higher knowledge-point density and significantly lower factual error rates than an equally-prompted baseline without retrieval (as judged by an external LLM). Built on this verifiable LCoT knowledge base, this reasoning-centric approach enables trustworthy, cross-domain scientific synthesis at scale and establishes the foundation for an ever-expanding encyclopedia.

cs.AI↗

arXiv2025

Beyond Survival: Evaluating LLMs in Social Deduction Games with Human-Aligned Strategies

Social deduction games like Werewolf combine language, reasoning, and strategy, providing a testbed for studying natural language and social intelligence. However, most studies reduce the game to LLM-based self-play, yielding templated utterances and anecdotal cases that overlook the richness of social gameplay. Evaluation further relies on coarse metrics such as survival time or subjective scoring due to the lack of quality reference data. To address these gaps, we curate a high-quality, human-verified multimodal Werewolf dataset containing over 100 hours of video, 32.4M utterance tokens, and 15 rule variants. Based on this dataset, we propose a novel strategy-alignment evaluation that leverages the winning faction's strategies as ground truth in two stages: 1) Speech evaluation, formulated as multiple-choice-style tasks that assess whether the model can adopt appropriate stances across five dimensions of social ability; and 2) Decision evaluation, which assesses the model's voting choices and opponent-role inferences. This framework enables a fine-grained evaluation of models' linguistic and reasoning capabilities, while capturing their ability to generate strategically coherent gameplay. Our experiments show that state-of-the-art LLMs show diverse performance, with roughly half remain below 0.50, revealing clear gaps in deception and counterfactual reasoning. We hope our dataset further inspires research on language, reasoning, and strategy in multi-agent interaction.

cs.CL↗

arXiv2025

Emergent Slow Thinking in LLMs as Inverse Tree Freezing

Reinforcement learning with verifiable rewards (RLVR) enables large language models to acquire slow, multi-step reasoning from sparse final-answer signals. We provide a statistical-physics picture of this emergence. We show that an autoregressive model's finite capacity forces it to compress its exponentially large prefix space into a Markov network of predictive states, on which slow thinking unfolds as a random walk -- the Concept Network (CoNet) picture. Within CoNet, RLVR dynamics are governed by two mechanisms: merging of compatible paths and frustrated competition among incompatible ones. Together they drive the network through nucleation, growth, and freezing into multi-input, single-output directed inverse trees. The picture reproduces the training dynamics of a 1.5-billion-parameter LLM and yields three predictions: reasoning chains lengthen as a geometric necessity of sparse topology; SFT induces catastrophic forgetting through bridge-node rupture; and frustration drives policy collapse. Building on the structural timing inherent in inverse-tree freezing, we propose Annealed-RLVR -- a brief SFT intervention at the moment of maximum frustration. It outperforms standard RLVR on both in- and out-of-distribution benchmarks, with the largest gains at high sampling budgets where standard RLVR collapses. The same SFT applied after the trees freeze instead triggers catastrophic forgetting, isolating timing as the active ingredient.

cs.AI↗