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Kai Yang

Publications and source records attributed to Kai Yang.

At least 73 records · Page 4Linked to original sources
arXiv2026

Threshold Scattering for the Energy-Critical NLS with a Repulsive Inverse Square Potential

We study the threshold scattering problem for the energy-critical nonlinear Schrödinger equation with a repulsive inverse-square potential $\frac{a}{|x|^2} > 0$ in dimensions $d= 4, 5, 6$. On the energy level surface determined by the ground state of the energy-critical NLS without potential, we show that, despite the absence of a ground state in this setting, a strong form of rigidity persists below the kinetic threshold. Specifically, we prove that any solution on this energy surface with kinetic energy strictly below that of the ground state is global and scatters to zero. Our approach combines refined modulation analysis, a center-translated global Virial estimate, and a bootstrap argument to control the modulation parameters.

math.AP↗
arXiv2026

SMC-AI: Scaling Monte Carlo Simulation to Four Trillion Atoms with AI Accelerators

The rapid advancement of deep learning is reshaping the hardware design landscape toward AI tasks, posing fundamental challenges for HPC workloads such as atomistic simulation. Here we present SMC-AI, a general algorithmic framework that extends the SMC-X method for efficient canonical Monte Carlo simulation on AI accelerators, including GPUs and NPUs, while maintaining extreme scalability. The implementation of SMC-AI on an NPU cluster reaches unprecedented performance, achieving MC simulation of 4 trillion atoms on 4096 NPU dies. This represents the largest ML-accelerated atomistic simulation reported, delivering 32X system size and 1.3X throughput than previous records, with a relatively small computational budget. Excellent strong and weak scaling efficiency are reached for both the NPU and GPU implementation. By decoupling ML models from simulation, SMC-AI creates an abstraction that facilitates integration and porting of diverse ML models, laying a foundation for the future development of scalable scientific software.

physics.comp-ph↗
arXiv2026

When Do Hallucinations Arise? A Graph Perspective on the Evolution of Path Reuse and Path Compression

Reasoning hallucinations in large language models (LLMs) often appear as fluent yet unsupported conclusions that violate either the given context or underlying factual knowledge. Although such failures are widely observed, the mechanisms by which decoder-only Transformers produce them remain poorly understood. We model next-token prediction as a graph search process over an underlying graph, where entities correspond to nodes and learned transitions form edges. From this perspective, contextual reasoning is a constrained search over a sampled subgraph (intrinsic reasoning), while context-free queries rely on memorized structures in the underlying graph (extrinsic reasoning). We show that reasoning hallucinations arise from two fundamental mechanisms: \textbf{Path Reuse}, where memorized knowledge overrides contextual constraints during early training, and \textbf{Path Compression}, where frequently traversed multi-step paths collapse into shortcut edges in later training. Together, these mechanisms provide a unified explanation for reasoning hallucinations in LLMs and connected to well-known behaviors observed in downstream applications.

cs.AI↗
arXiv2026

Probabilistic reconstruction of global sea surface temperature using generative diffusion models

Accurate reconstruction of global Sea surface temperature (SST), which dominates the air-sea coupling and global climate variability, underpins climate monitoring and prediction. Existing SST reconstruction products primarily provide one deterministic field derived from heterogeneous satellite data and in situ observations, limiting their ability to represent observation uncertainty and to support probabilistic forecasting. Here, we introduce Satellite and in situ Adaptive Guided Estimation (SAGE), a diffusion-based uncertainty-aware generative framework for probabilistic SST reconstruction. SAGE learns a physically consistent prior from historical SST data and performs observation-conditioned posterior sampling without requiring satellite or in situ data during training, enabling flexible state inference from heterogeneous observations. Through a progressive data-fusion strategy, observations from two FengYun-3D polar-orbiting satellites constrain basin-scale structures, while sparse in situ measurements serve to refine local anomalies and extremes. The resulting ensemble SST fields well capture observational uncertainty and scale-dependent variability. Validation against independent in situ observations shows that SAGE substantially reduces reconstruction errors compared with widely used operational products. When used to initialize forecasting systems, SAGE-generated SST fields substantially reduce 10-day SST forecast errors relative to current operational analyses. At the climate scale, SAGE-driven forecasts of the 2023-2024 El Nino event show added value in capturing its onset and intensity evolution compared to conventional approaches. Our results demonstrate that SAGE represents a step toward a new paradigm for ocean state estimation and climate prediction.

physics.ao-ph↗
arXiv2026

Towards Computational Microscope of Chemical Order-Disorder via ML-Accelerated Monte Carlo Simulation

Tailoring the performance of next-generation high entropy materials requires a deep understanding of the competition between entropy-driven random solid solution and enthalpy-driven chemical ordering. Investigating such order and disorder complexity demands atomistic simulations that achieve high accuracy, efficiency, and generalizability across vast spatial, temporal, and especially chemical scales. While machine learning (ML) interatomic potentials have transformed molecular dynamics, they remain limited in capturing diffusion-driven chemical evolution over long timescales. The recently introduced SMC-X method brings exciting opportunities. Realizing its full potential requires a comprehensive study, which is the focus of this work. To assess model performance, we systematically benchmark invariant and equivariant architectures using a density functional theory dataset of more than 10,000 configurations spanning seven elements: Fe, Co, Ni, Al, Ti, Ta, and V. To understand the roles of pairwise and higher-order interactions, we decouple their contributions across chemical space using an explainable machine learning approach. We also examine the impact of lattice relaxation by comparing models trained on datasets with and without structural relaxation. Our results clarify how to choose ML surrogate models for Monte Carlo simulations, bridge the gap between theory and experiment, and lay a foundation for establishing ML-accelerated Monte Carlo as a computational microscope for chemical complexity.

cond-mat.mtrl-sci↗
arXiv2026

A Joint Graph-Cut Channel Estimation Method for Multi-user Holographic MIMO

To address the challenges of high-dimensional channel estimation and underutilized spatial correlations among users in holographic MIMO (HMIMO) systems, this paper proposes a joint graph-cut algorithm for multi-user channel estimation in the wavenumber domain. The size of the conventional angular domain channel matrix increases with the number of antennas in densely-spaced HMIMO. Therefore, user channels are projected into the wavenumber domain via a Fourier harmonic transform, revealing their inherent clustered sparsity and exploiting common scatterer clusters among users. Subsequently, a joint graph-cut channel estimation (JGC-CE) algorithm based on multi-user common supports is designed. In each iteration, the algorithm first partitions user clusters to extract shared supports. Then for each user, it performs users' individual graph update and channel estimation to reconstruct the channel matrix. Simulation results demonstrate that the proposed method outperforms independent estimation schemes for individual users in accuracy while reducing pilot length.

eess.SP↗
arXiv2026

PJB: A Reasoning-Aware Benchmark for Person-Job Retrieval

As retrieval models converge on generic benchmarks, the pressing question is no longer "who scores higher" but rather "where do systems fail, and why?" Person-job matching is a domain that urgently demands such diagnostic capability -- it requires systems not only to verify explicit constraints but also to perform skill-transfer inference and job-competency reasoning, yet existing benchmarks provide no systematic diagnostic support for this task. We introduce PJB (Person-Job Benchmark), a reasoning-aware retrieval evaluation dataset that uses complete job descriptions as queries and complete resumes as documents, defines relevance through job-competency judgment, is grounded in real-world recruitment data spanning six industry domains and nearly 200,000 resumes, and upgrades evaluation from "who scores higher" to "where do systems differ, and why" through domain-family and reasoning-type diagnostic labels. Diagnostic experiments using dense retrieval reveal that performance heterogeneity across industry domains far exceeds the gains from module upgrades for the same model, indicating that aggregate scores alone can severely mislead optimization decisions. At the module level, reranking yields stable improvements while query understanding not only fails to help but actually degrades overall performance when combined with reranking -- the two modules face fundamentally different improvement bottlenecks. The value of PJB lies not in yet another leaderboard of average scores, but in providing recruitment retrieval systems with a capability map that pinpoints where to invest.

cs.IR↗
arXiv2026

Refinements to the Solar Polar Magnetic Flux: Implications from Inversion Methodologies

The magnetic fields in the solar polar region are important to our understanding of the internal dynamo process, the global coronal structure, and the origin of the solar wind. The inference of polar fields based on spectropolarimetric observation is highly model-dependent and can suffer from various systematic effects. Here we analyze a raster map of the southern polar region taken by the Hinode Spectro-Polarimeter, utilizing the Stokes Inversion based on Response functions code. The inversions provide height-dependent vector magnetic field maps between optical depths $\log_{10}τ= -2$ and $0$. We examine the impact on the total magnetic flux estimate from adopting (1) 1- vs 2-component atmospheric models via a "filling factor" parameter and (2) different analysis schemes. At $\log_{10}τ= -1.5$, the polar magnetic flux is estimated to be $(1.84 \pm 0.03) \times 10^{21}$ Mx and $(1.38 \pm 0.02) \times 10^{21}$ Mx under the 1- and 2-component atmosphere assumption, respectively. The magnetic flux is approximately constant or increases slightly with height, respectively. We find that the 2-component (1-component) configuration is preferred for 58.3% (32.3%) of the pixels. Different initial guesses, including the input atmosphere model and the filling factor, as well as different inversion settings, can significantly affect the results, especially for locations with weaker polarization signals. Our work highlights the importance of including unresolved magnetic structures or stray light into consideration. Model degeneracy and the convergence to local minima limit the precision of the polar magnetic flux inference (no better than several tens of percent in this case). Higher-resolution observations and advanced inversion and disambiguation algorithms may alleviate these limitations.

astro-ph.SR↗
arXiv2026

The uniqueness of the ground state and the dynamics of nonlinear Schrödinger equation with inverse square potential

In this paper, we first provide an alternative proof of the uniqueness of the ground state solution for NLS with inverse square potential and power nonlinearity $|u|^pu$ for all $0<p<\frac 4{d-2}$ in dimensions $d\ge 3$. While the uniqueness result was previously obtained by Mukherjee-Nam-Nguyen using a functional analytic approach, our method successfully adapts the classical ``shooting method'' to the case with the singular potential, accompanied by a more detailed analysis on the ground state equation. Based upon this result and a comprehensive spectral analysis, we construct the stable/unstable manifolds of the ground state standing wave solutions and classify solutions on the mass-energy level surface of the ground state in dimensions $d=3, 4, 5$.

math.AP↗
arXiv2026

Suppressing Acoustomigration and Temperature Rise for High-power Robust Acoustics

High-frequency acoustic wave transducers, vibrating at gigahertz (GHz), favored for their compact size, are not only dominating the front-end of mobile handsets but are also expanding into various interdisciplinary fields, including quantum acoustics, acoustic-optics, acoustic-fluids, acoustoelectric, and sustainable power conversion systems. However, like strong vibration can "shake off" substances and produce heat, a long-standing bottleneck has been the ability to harness acoustics under high-power vibration loads, while simultaneously suppressing temperature rise, especially for IDT-based surface acoustic wave (SAW) systems. Here, we proposed a layered acoustic wave (LAW) platform, utilizing a quasi-infinite multifunctional top layer, that redefines mechanical and thermal boundary conditions to overcome three fundamental challenges in high-power acoustic wave vibration: self-heating, thermal instability, and acoustomigration. By simply leveraging a simplified, thick single-material overlayer to achieve electro-thermo-mechanical co-design, this acoustic platform moves beyond prior substrate-focused thermal management in SAW technology. It demonstrates, for the first time from the top boundary, simultaneous redistribution of the von Mises stress field and the creation of an efficient vertical thermal dissipation path. The LAW transducer, vibrating at over 2 GHz, achieves a 70% reduction in temperature rise under identical power loads, a first-order temperature coefficient of frequency (TCF) of -13 ppm/C with minimal dispersion, and an unprecedented threshold power density of 45.61 dBm/mm2 - over one order-of-magnitude higher than that of state-of-the-art thin-film surface acoustic wave (TF-SAW) counterparts at the same wavelength.

eess.SP↗
arXiv2026

On the gap property of a linearized NLS operator

We consider a pair of linear operators corresponding to the linearization around the ground state soliton of the cubic nonlinear Schrödinger equation in dimension three. We introduce a new comparison-based approach and rigorously prove that the interval $(0, 1]$ does not contain any eigenvalues of these operators. Furthermore we show the absence of resonances at the bottom of the essential spectrum. All the obtained results are for the fully non-radial case. The method can be adapted to many other spectral problems.

math.AP↗
arXiv2026

LLM-Driven Multi-Turn Task-Oriented Dialogue Synthesis for Realistic Reasoning

The reasoning capability of large language models (LLMs), defined as their ability to analyze, infer, and make decisions based on input information, is essential for building intelligent task-oriented dialogue systems. However, existing benchmarks do not sufficiently reflect the complexity of real-world scenarios, which limits their effectiveness in evaluating and enhancing LLM reasoning in practical contexts. Many current reasoning datasets are overly simplistic and abstract, often disconnected from realistic task flows, domain constraints, and operational rules, making it difficult to effectively evaluate LLMs' logical reasoning ability. In addition, data contamination from pretraining corpora undermines the reliability of evaluation results, and traditional crowdsourcing methods for dataset construction are labor-intensive and difficult to scale. To address these challenges, we propose a LLM-driven framework for synthesizing multi-turn, task-oriented dialogues grounded in realistic reasoning scenarios, leveraging trilevel optimization to enhance dialogue quality. Our method generates dialogues grounded in authentic task scenarios, enriched with real-world information, and exhibiting strong contextual coherence. Corresponding reasoning tasks are carefully designed around these dialogues and iteratively refined to continuously improve the tasks' quality and challenge. The resulting dataset serves as a valuable benchmark for assessing and advancing the realistic logical reasoning capabilities of LLMs. Experimental results show that our synthetic data-based reasoning tasks introduce non-trivial reasoning challenges and provide meaningful support for improving the reasoning capabilities of LLMs.

cs.CL↗
arXiv2026

TableNet A Large-Scale Table Dataset with LLM-Powered Autonomous

Table Structure Recognition (TSR) requires the logical reasoning ability of large language models (LLMs) to handle complex table layouts, but current datasets are limited in scale and quality, hindering effective use of this reasoning capacity. We thus present TableNet dataset, a new table structure recognition dataset collected and generated through multiple sources. Central to our approach is the first LLM-powered autonomous table generation and recognition multi-agent system that we developed. The generation part of our system integrates controllable visual, structural, and semantic parameters into the synthesis of table images. It facilitates the creation of a wide array of semantically coherent tables, adaptable to user-defined configurations along with annotations, thereby supporting large-scale and detailed dataset construction. This capability enables a comprehensive and nuanced table image annotation taxonomy, potentially advancing research in table-related domains. In contrast to traditional data collection methods, This approach facilitates the theoretically infinite, domain-agnostic, and style-flexible generation of table images, ensuring both efficiency and precision. The recognition part of our system is a diversity-based active learning paradigm that utilizes tables from multiple sources and selectively samples most informative data to finetune a model, achieving a competitive performance on TableNet test set while reducing training samples by a large margin compared with baselines, and a much higher performance on web-crawled real-world tables compared with models trained on predominant table datasets. To the best of our knowledge, this is the first work which employs active learning into the structure recognition of tables which is diverse in numbers of rows or columns, merged cells, cell contents, etc, which fits better for diversity-based active learning.

cs.DB↗
arXiv2026

Learning beyond Teacher: Generalized On-Policy Distillation with Reward Extrapolation

On-policy distillation (OPD), which aligns the student with the teacher's logit distribution on student-generated trajectories, has demonstrated strong empirical gains in improving student performance and often outperforms off-policy distillation and reinforcement learning (RL) paradigms. In this work, we first theoretically show that OPD is a special case of dense KL-constrained RL where the reward function and the KL regularization are always weighted equally and the reference model can by any model. Then, we propose the Generalized On-Policy Distillation (G-OPD) framework, which extends the standard OPD objective by introducing a flexible reference model and a reward scaling factor that controls the relative weight of the reward term against the KL regularization. Through comprehensive experiments on math reasoning and code generation tasks, we derive two novel insights: (1) Setting the reward scaling factor to be greater than 1 (i.e., reward extrapolation), which we term ExOPD, consistently improves over standard OPD across a range of teacher-student size pairings. In particular, in the setting where we merge the knowledge from different domain experts, obtained by applying domain-specific RL to the same student model, back into the original student, ExOPD enables the student to even surpass the teacher's performance boundary and outperform the domain teachers. (2) Building on ExOPD, we further find that in the strong-to-weak distillation setting (i.e., distilling a smaller student from a larger teacher), performing reward correction by choosing the reference model as the teacher's base model before RL yields a more accurate reward signal and further improves distillation performance. However, this choice assumes access to the teacher's pre-RL variant and incurs more computational overhead. We hope our work offers new insights for future research on OPD.

cs.LG↗
arXiv2026

HELP: HyperNode Expansion and Logical Path-Guided Evidence Localization for Accurate and Efficient GraphRAG

Large Language Models (LLMs) often struggle with inherent knowledge boundaries and hallucinations, limiting their reliability in knowledge-intensive tasks. While Retrieval-Augmented Generation (RAG) mitigates these issues, it frequently overlooks structural interdependencies essential for multi-hop reasoning. Graph-based RAG approaches attempt to bridge this gap, yet they typically face trade-offs between accuracy and efficiency due to challenges such as costly graph traversals and semantic noise in LLM-generated summaries. In this paper, we propose HyperNode Expansion and Logical Path-Guided Evidence Localization strategies for GraphRAG (HELP), a novel framework designed to balance accuracy with practical efficiency through two core strategies: 1) HyperNode Expansion, which iteratively chains knowledge triplets into coherent reasoning paths abstracted as HyperNodes to capture complex structural dependencies and ensure retrieval accuracy; and 2) Logical Path-Guided Evidence Localization, which leverages precomputed graph-text correlations to map these paths directly to the corpus for superior efficiency. HELP avoids expensive random walks and semantic distortion, preserving knowledge integrity while drastically reducing retrieval latency. Extensive experiments demonstrate that HELP achieves competitive performance across multiple simple and multi-hop QA benchmarks and up to a 28.8$\times$ speedup over leading Graph-based RAG baselines.

cs.AI↗
arXiv2026

ABot-N0: Technical Report on the VLA Foundation Model for Versatile Embodied Navigation

Embodied navigation has long been fragmented by task-specific architectures. We introduce ABot-N0, a unified Vision-Language-Action (VLA) foundation model that achieves a ``Grand Unification'' across 5 core tasks: Point-Goal, Object-Goal, Instruction-Following, POI-Goal, and Person-Following. ABot-N0 utilizes a hierarchical ``Brain-Action'' architecture, pairing an LLM-based Cognitive Brain for semantic reasoning with a Flow Matching-based Action Expert for precise, continuous trajectory generation. To support large-scale learning, we developed the ABot-N0 Data Engine, curating 16.9M expert trajectories and 5.0M reasoning samples across 7,802 high-fidelity 3D scenes (10.7 $\text{km}^2$). ABot-N0 achieves new SOTA performance across 7 benchmarks, significantly outperforming specialized models. Furthermore, our Agentic Navigation System integrates a planner with hierarchical topological memory, enabling robust, long-horizon missions in dynamic real-world environments.

cs.RO↗
arXiv2026

EntroPIC: Towards Stable Long-Term Training of LLMs via Entropy Stabilization with Proportional-Integral Control

Long-term training of large language models (LLMs) requires maintaining stable exploration to prevent the model from collapsing into sub-optimal behaviors. Entropy is crucial in this context, as it controls exploration and helps avoid premature convergence to sub-optimal solutions. However, existing reinforcement learning methods struggle to maintain an appropriate level of entropy, as the training process involves a mix of positive and negative samples, each affecting entropy in different ways across steps. To address this, we propose Entropy stabilization via Proportional-Integral Control (EntroPIC), a novel method that adaptively adjusts the influence of positive and negative samples by dynamically tuning their loss coefficients. This approach stabilizes entropy throughout training, ensuring efficient exploration and steady progress. We provide a comprehensive theoretical analysis for both on-policy and off-policy learning settings, demonstrating that EntroPIC is effective at controlling entropy in large-scale LLM training. Experimental results show that our method successfully maintains desired entropy levels, enabling stable and optimal RL training for LLMs.

cs.LG↗
arXiv2026

VMask: Tunable Label Privacy Protection for Vertical Federated Learning via Layer Masking

Though vertical federated learning (VFL) is generally considered to be privacy-preserving, recent studies have shown that VFL system is vulnerable to label inference attacks originating from various attack surfaces. Among these attacks, the model completion (MC) attack is currently the most powerful one. Existing defense methods against it either sacrifice model accuracy or incur impractical computational overhead. In this paper, we propose VMask, a novel label privacy protection framework designed to defend against MC attack from the perspective of layer masking. Our key insight is to disrupt the strong correlation between input data and intermediate outputs by applying the secret sharing (SS) technique to mask layer parameters in the attacker's model. We devise a strategy for selecting critical layers to mask, reducing the overhead that would arise from naively applying SS to the entire model. Moreover, VMask is the first framework to offer a tunable privacy budget to defenders, allowing for flexible control over the levels of label privacy according to actual requirements. We built a VFL system, implemented VMask on it, and extensively evaluated it using five model architectures and 13 datasets with different modalities, comparing it to 12 other defense methods. The results demonstrate that VMask achieves the best privacy-utility trade-off, successfully thwarting the MC attack (reducing the label inference accuracy to a random guessing level) while preserving model performance (e.g., in Transformer-based model, the averaged drop of VFL model accuracy is only 0.09%). VMask's runtime is up to 60,846 times faster than cryptography-based methods, and it only marginally exceeds that of standard VFL by 1.8 times in a large Transformer-based model, which is generally acceptable.

cs.CR↗