arXiv subjects

Jingyu Li

Publications and source records attributed to Jingyu Li.

At least 19 recordsLinked to original sources

arXiv2026

Fourier Neural Operators for Composition-Driven Crystal Structure Discovery

Crystalline materials discovery is essential for energy, electronics, and catalysis, but the vast chemical and structural space makes exhaustive screening infeasible. Existing voxel-based methods are limited by the local receptive fields of three-dimensional convolutional neural networks and the posterior collapse of high-dimensional variational autoencoders. Here, we develop a Fourier Neural Operator (FNO)-based crystal-field solver that maps a prescribed chemical formula and lattice parameters to periodic number-density and electron-density fields. By operating on global Fourier modes, the solver captures long-range correlations in periodic crystal fields beyond conventional local convolutions. Building on this solver, we construct a coupled generation-solving framework in which a conditional variational autoencoder generates diverse candidate lattice parameters in a low-dimensional basis-coefficient space, followed by density-field prediction and atomic reconstruction through peak detection, position optimization, and weight optimization. The reconstructed structures are further screened using voxel-level filtering, machine-learning interatomic-potential relaxation, and first-principle calculations. The framework generates novel structures across 104 chemical formulas with competitive reconstruction accuracy, demonstrating high generative diversity and structural validity. By extending Fourier neural operators to periodic crystal fields and coupling them with composition-conditioned lattice generation, our approach provides a scalable route to crystal structure discovery from prescribed chemical compositions.

cond-mat.mtrl-sci↗

arXiv2026

FutureBridge: Token Selection Beyond Local Preference in Collaborative Decoding

Token-level collaboration allows a large language model (LLM) to assist a small language model (SLM) when their predictions diverge. Existing methods either use LLM-generated intervention tokens or rank candidates with the LLM's next-token probabilities. Both rely on the LLM's local preference, even though an LLM-selected token may be difficult for the SLM to build on. We present FutureBridge, which ranks joint LLM-SLM token candidates according to how well they support the SLM's subsequent reasoning. During training, an answer-verified LLM trajectory supplies a fixed shared future, and a frozen SLM evaluates every candidate under this common context. The resulting counterfactual scores supervise a lightweight token reranker that observes only the current state and candidate token. At inference, FutureBridge uses the LLM only to expand the candidate pool, selects one token, and returns generation to the SLM without generating or appending a future suffix. Across five mathematical reasoning benchmarks, FutureBridge improves the Qwen3-1.7B SLM's Math Avg. by 35.1% relative to greedy SLM decoding. These results indicate that token selection benefits from modeling whether the receiving SLM can use each candidate to continue reasoning, rather than relying on the LLM's local preference alone.

cs.CL↗

arXiv2026

Control-Anchored Residual Flow Matching Conditioned on Gene Geometry for Virtual Cell Perturbation Modeling

A central task in virtual cell modeling is predicting single-cell transcriptional responses to unseen genetic perturbations and drug combinations, and biological networks provide valuable priors on gene relationships. Existing graph-based models commonly use the same network to structure gene representations and mediate intergene interactions, thereby implicitly treating stable associations as perturbation-response pathways. Gene Ontology and control-derived coexpression networks encode relatively stable relationships rather than intervention-specific response directions or magnitudes. We therefore propose GeneGeoFlow, which conditions a control-anchored residual flow on gene-wise geometry derived from biological networks to learn intervention-specific transcriptional responses. GeneGeoFlow derives multi-scale spectral coordinates from Gene Ontology and control-derived coexpression networks. A perturbation-conditioned, gene-wise gating module selects relevant structural scales and network sources, yielding intervention-specific gene geometry. The resulting geometry conditions a control-anchored residual flow without explicitly propagating target-derived signals along the graph. Condition-wise optimal transport couples unpaired control and perturbed populations for training, while a Delta-correlation objective aligns the predicted and observed condition-level expression-shift directions. GeneGeoFlow achieves Pearson Delta scores of 0.8979 on the Norman additive benchmark and 0.9088 on five held-out drug combinations in the fixed ComboSciPlex test split. These results support perturbation-conditioned gene geometry as an effective structural prior for intervention-specific response prediction, without conflating stable gene relationships with response propagation.

q-bio.MN↗

arXiv2026

Stress-testing large language model agents in a robotic chemistry laboratory

AI is evaluated through knowledge, reasoning and plan generation, yet scientific agency requires reliable physical action and adaptation to evidence. Here, we use a robotic chemistry laboratory as a physical-world testbed to make scientific agency measurable. Its 45 modular workstations exposed as machine-readable skills enabled 4,608 trials. Only 3.3% of trials produced expert-assessed executable workflows under laboratory constraints; even the best system achieved 28.1%. Long-horizon planning remained a challenge: only three executable workflows exceeded 30 operations, although the longest contained 44. Across five rounds, experimental feedback prompted local adjustments but no workflow-level replanning or analytical-method redesign. By making physical executability and evidence-driven replanning measurable, our study provides an evidence-based assessment of deployment readiness and a diagnostic framework to guide closed-loop improvements towards physically grounded autonomous research.

cs.AI↗

arXiv2026

Spin-orbit-enabled Fermi-surface splitting in noncollinear antiferromagnetic SmBi

Spin-split electronic structures in compensated antiferromagnets are commonly sought in the nonrelativistic limit, where magnetic order lifts spin degeneracy without spin-orbit coupling (SOC). Whether SOC can instead be the indispensable symmetry-breaking ingredient remains largely unexplored. Here we combine quantum oscillations detected by ultrahigh-sensitivity ac magnetostriction, magnetic-symmetry analysis and first-principles calculations to resolve the bulk Fermi-surface evolution of SmBi across two successive antiferromagnetic (AFM) transitions. New oscillation branches emerge below TN and undergo a further reconstruction below T*, whereas isostructural SmSb shows no comparable change. For the candidate noncollinear orders of SmBi, breaking global parity-time symmetry is insufficient in the nonrelativistic limit because residual spin-space symmetries protect twofold band degeneracy; conversely, SOC alone cannot lift the degeneracy of the centrosymmetric paramagnetic (PM) phase. Only the coexistence of noncollinear order and SOC locks spin to the lattice and removes the residual protection. SmBi therefore realizes a cooperative, relativistic route to spin-split Fermi surfaces, broadening unconventional magnetism beyond systems whose splitting is already present in the nonrelativistic limit.

cond-mat.mtrl-sci↗

arXiv2026

One-Step Token-to-Waveform Generation with MeanFlow in Latent Space

Neural audio codecs are central to modern LLM-based Text-to-Speech (TTS) and multimodal systems. As low-bitrate semantic codecs gain prominence, the Token-to-Waveform (Token2Wav) decoder becomes a bottleneck determining both perceptual quality and system efficiency. Conventional multi-step flow-matching decoders offer superior quality but suffer from high inference latency due to iterative sampling, creating a severe quality-speed trade-off. In this paper, we propose a novel Token2Wav architecture that overcomes this limitation by applying MeanFlow in a highly compressed latent space. By modeling the average velocity rather than the instantaneous velocity field, MeanFlow enables true one-step generation. Operating in the latent domain mitigates the memory and stability issues of waveform-level flows, yielding up to a 17$\times$ improvement in Real-Time Factor (RTF) compared to multi-step baselines with negligible quality degradation. Furthermore, we introduce refinement strategies that mitigate latent mismatch, including decoder-only fine-tuning with the MeanFlow generator frozen and end-to-end joint fine-tuning, improving fidelity without increasing inference-time cost. Code and demo are publicly available.

eess.AS↗

arXiv2026

Metis: A Generalizable and Efficient World-Action Model for Autonomous Driving and Urban Navigation

World action models~(WAMs) have shown great promise for autonomous driving and urban navigation. Built upon Vision-Language-Action models or video generation models, existing approaches suffer key limitations: (1) High inference latency due to future observation prediction at test time, and (2) tightly coupled video and action modeling leading to representational mismatch and degraded generalization. To address both issues, we propose Metis, an end-to-end WAM framework that decouples video generation and action prediction. Specifically, Metis employs a Mixture-of-Transformers architecture with dedicated experts for video generation and action prediction, preserving the intrinsic distributional properties of each task. To enhance efficiency, we introduce an asymmetric attention mask that enables joint training of both experts while allowing the action model to bypass explicit video generation during inference. This design ensures training-inference consistency and significantly reduces computational costs without compromising planning performance. Extensive experiments demonstrate state-of-the-art performance on the NAVSIM navhard and navtest benchmarks and the CityWalker navigation benchmark, validating both the generalizability and efficiency across diverse tasks. Real-robot deployments further confirm the practical feasibility of our approach.

cs.CV↗

arXiv2026

Asymptotic stability of strong rarefaction waves to a parabolic-hyperbolic system arising from chemotaxis

We are interested in the asymptotic behavior of solutions toward strong rarefaction waves for a parabolic-hyperbolic system arising from chemotaxis. Suppose that the Riemann problem to the corresponding inviscid system admits rarefaction waves. We show that if the initial data is a small perturbation of an approximate rarefaction wave, then the Cauchy problem has a unique global solution that converges to the rarefaction wave asymptotically in time. The waves can be either a single rarefaction wave or a superposition of two rarefaction waves. Furthermore, the stability results hold regardless of the wave strengths. The proofs are based on the energy method, where the key observations are the monotonicity of the approximate rarefaction waves with respect to both space and time, and the appropriate replacement of spatial derivative of the hyperbolic component with the parabolic component in proper forms.

math.AP↗

arXiv2026

When Hard Negatives Hurt: Bridging the Generative-Discriminative Gap in Hard Negative Synthesis for Retrieval

Hard negative mining has become the dominant strategy for training retrievers, yet it faces intrinsic limitations: negatives are bounded by corpus availability, selected by retriever score rather than diagnostic value, and increasingly contaminated by false positives as the retriever improves. LLM-based synthesis offers a principled alternative, where negatives that are unconstrained, targeted, and free from false positive risk. But we show that naively incorporating generated negatives into contrastive learning often degrades retrieval performance. We identify and formalize the root cause as a generative-discriminative gap: LLM generation optimizes for fluent, plausible text, while contrastive learning demands strategic violations of relevance at the decision boundary. Our analysis reveals two compounding failure modes: discriminative-agnostic generation, where the LLM lacks an explicit model of query information needs and defaults to generic or topic-drifted text that provides no contrastive signal; and source-dependent shortcuts, where distributional artifacts enable the model to distinguish negatives by origin rather than relevance, causing gradient drift that actively corrupts optimization. To close this gap, we propose CausalNeg consisting of two main modules: (1) CoT-guided counterfactual perturbation for data construction: decomposes why a document satisfies a query into explicit information requirements, then surgically violates individual requirements to construct negatives with controlled, interpretable hardness. (2) Query-view entropy maximization during training: disperses generated negatives across the similarity spectrum, minimizing the mutual information between source identity and similarity scores to suppress shortcut exploitation. We make our code publicly available at https://github.com/mzhangzhicheng/CausalNeg.

cs.LG↗

arXiv2026

Saturated and Anisotropic Magnetostriction in an Altermagnet

Magnetostriction, a fundamental phenomenon bridging magnetism and mechanics, has enabled a broad spectrum of applications. For almost two centuries, it has been mainly investigated for ferromagnets. Regarding the magnetostriction of antiferromagnets (AFMs), limitedly known examples for both conventional collinear AFMs and noncollinear AFMs predominantly exhibit non-saturating magnetic-field dependence. Herein, we report an easily saturated magnetostriction effect in a prototypical altermagnet - MnTe, which is an emerging class of collinear AFMs with special crystal symmetries. For high-quality MnTe single crystals, the magnetostriction saturates under a moderate field of ~0.7 T with an intriguing two-fold-symmetry anisotropy. First-principles calculations reveal that the saturated and anisotropic magnetostriction originates from symmetry-allowed coupling between elastic strain and its N\'eel order parameter. These findings break the traditional wisdom on antiferromagnetic magnetostriction.

cond-mat.mtrl-sci↗

arXiv2026

MCNav: Memory-Aware Dynamic Cognitive Map for Zero-shot Goal-oriented Navigation

Navigating to instance-level targets in complex environments is a challenging problem. Many existing zero-shot methods achieve strong performance by modeling the entire environment and leveraging large language models for scene understanding. However, such strategies primarily focus on exploring new regions while lacking a deeper exploitation of information from previously explored areas. Consequently, when targets are missed or misidentified within previously visited regions, navigation failures occur frequently. To address these limitations, we propose MCNav, a memory-aware navigation framework with a dynamic cognitive map. This map stores efficiently queryable information about relevant objects in explored areas. Building on this memory structure, MCNav introduces two memory-aware exploration strategies: goal re-validation, which re-assesses previously seen objects to correct matching failures, and missed goal re-exploration, which estimates the likelihood that a target is present in an explored region from contextual cues. These strategies are further stabilized by a blacklist mechanism to prevent repeated errors and a double-check mechanism for high-confidence confirmation. We evaluate MCNav on the HM3Dv1 and HM3Dv2 datasets across three different tasks, where it achieves state-of-the-art performance, particularly on the instance-level goal navigation task.

cs.RO↗

arXiv2026

AccLock: Unlocking Identity with Heartbeat Using In-Ear Accelerometers

The widespread use of earphones has enabled various sensing applications, including activity recognition, health monitoring, and context-aware computing. Among these, earphone-based user authentication has become a key technique by leveraging unique biometric features. However, existing earphone-based authentication systems face key limitations: they either require explicit user interaction or active speaker output, or suffer from poor accessibility and vulnerability to environmental noise, which hinders large-scale deployment. In this paper, we propose a passive authentication system, called AccLock, which leverages distinctive features extracted from in-ear BCG signals to enable secure and unobtrusive user verification. Our system offers several advantages over previous systems, including zero-involvement for both the device and the user, ubiquitous, and resilient to environmental noise. To realize this, we first design a two-stage denoising scheme to suppress both inherent and sporadic interference. To extract user-specific features, we then propose a disentanglement-based deep learning model, HIDNet, which explicitly separates user-specific features from shared nuisance components. Lastly, we develop a scalable authentication framework based on a Siamese network that eliminates the need for per-user classifier training. We conduct extensive experiments with 33 participants, achieving an average FAR of 3.13% and FRR of 2.99%, which demonstrates the practical feasibility of AccLock.

cs.CR↗

arXiv2026

Giant Room-Temperature Third-Order Electrical Transport in a Thin-Film Altermagnet Candidate

Quantum geometry, a quantum mechanical quantity comprised of Berry curvature and quantum metric, describes the geometric structure of the electronic bands in solids. The correlation between nontrivial quantum geometry and quantum materials leads to new findings in condensed matter systems. Here we demonstrate that altermagnets, with spontaneously broken time-reversal (T)- half-lattice-translation and parity-time symmetry, host both T-odd and T-even quantum geometric quantities that simultaneously manifest themselves despite the vanishing net magnetization. Consequently, giant room-temperature third-order electrical transport responses with sizable quantum geometric contributions are observed in (101)-oriented RuO2 thin films, an altermagnetic candidate; in particular, the third-order Hall effect is intimately correlated with altermagnetic order and can serve as a promising tool for detecting the Neel vector. Our work not only supports the existence of altermagnetism in 8-nm-thick RuO2 thin films, but also shows altermagnets as a versatile platform for exploring quantum geometry and constructing quantum electronic and spintronic devices.

cond-mat.mes-hall↗

arXiv2026

A Role-Based LLM Framework for Structured Information Extraction from Healthy Food Policies

Current Large Language Model (LLM) approaches for information extraction (IE) in the healthy food policy domain are often hindered by various factors, including misinformation, specifically hallucinations, misclassifications, and omissions that result from the structural diversity and inconsistency of policy documents. To address these limitations, this study proposes a role-based LLM framework that automates the IE from unstructured policy data by assigning specialized roles: an LLM policy analyst for metadata and mechanism classification, an LLM legal strategy specialist for identifying complex legal approaches, and an LLM food system expert for categorizing food system stages. This framework mimics expert analysis workflows by incorporating structured domain knowledge, including explicit definitions of legal mechanisms and classification criteria, into role-specific prompts. We evaluate the framework using 608 healthy food policies from the Healthy Food Policy Project (HFPP) database, comparing its performance against zero-shot, few-shot, and chain-of-thought (CoT) baselines using Llama-3.3-70B. Our proposed framework demonstrates superior performance in complex reasoning tasks, offering a reliable and transparent methodology for automating IE from health policies.

cs.AI↗

arXiv2026

Uni-World VLA: Interleaved World Modeling and Planning for Autonomous Driving

Autonomous driving requires reasoning about how the environment evolves and planning actions accordingly. Existing world-model-based approaches typically predict future scenes first and plan afterwards, resulting in open-loop imagination that may drift from the actual decision process. In this paper, we present Uni-World VLA, a unified vision-language-action (VLA) model that tightly interleaves future frame prediction and trajectory planning. Instead of generating a full world rollout before planning, our model alternates between predicting future frames and ego actions step by step, allowing planning decisions to be continuously conditioned on the imagined future observations. This interleaved generation forms a closed-loop interaction between world modeling and control, enabling more adaptive decision-making in dynamic traffic scenarios. In addition, we incorporate monocular depth information into frames to provide stronger geometric cues for world modeling, improving long-horizon scene prediction. Experiments on the NAVSIM benchmark show that our approach achieves competitive closed-loop planning performance while producing high-fidelity future frame predictions. These results demonstrate that tightly coupling world prediction and planning is a promising direction for scalable VLA driving systems.

cs.RO↗

arXiv2026

On the origin of non-Arrhenius behavior of grain growth

Non-Arrhenius grain growth has been observed in a range of polycrystalline materials; however, its fundamental mechanisms, particularly whether the process is thermally activated or exhibits anti-thermally activation, remain controversial. In this study, SrTiO3 was employed as a model system to systematically investigate non-Arrhenius grain growth behavior through combined experimental and theoretical approaches, utilizing a newly developed grain growth model. The results reveal that non-Arrhenius grain growth is a thermally activated process without a definitive characteristic temperature, which is primarily controlled by the interplay between temperature-dependent factors and the temperature-independent parameters such as grain size and its distribution. Moreover, during abnormal grain growth (AGG), the non-Arrhenius behavior of grain growth primarily occurs at lower temperatures and gradually transitions to Arrhenius-type behavior as the temperature increases.

cond-mat.mtrl-sci↗

arXiv2026

Bulk OsO2 Single Crystals: Superior Catalysts for Water Oxidation

Although rutile RuO2 has been a well-known and almost the best oxygen evolution reaction (OER) catalyst, the OER properties for the similar rutile oxide OsO2 with the same group element with Ru have been unknown, mainly due to long-standing synthesis difficulties. In this work, we report the successful synthesis of high-quality OsO2 single crystals, and the ground micrometer-size single crystals are chemically stable in alkaline solutions and exhibit robust OER performance. In sharp contrast, OsO2 nanopowder reacts quickly with KOH solutions and cannot work for OER. Compared with commercial RuO2 nanopowder, the OsO2 single crystals show comparable catalytic current densities, remarkably lower overpotentials at high current densities and better stability. These findings question the universal applicability of nanoscaling and highlight crystal integrity as a key descriptor for achieving stable and efficient OER electrocatalysis.

cond-mat.mtrl-sci↗

arXiv2026

Pressure-Induced Metal-Insulator and Paramagnet-Altermagnet Transitions in Rutile OsO2 Single Crystals

Altermagnets with compensated spin structures and nonrelativistic spin splitting have emerged as a new class of magnetic materials. Rutile OsO2 has been theoretically predicted to be altermagnetic, but experimental studies have been limited by synthesis challenges. We have succeeded in synthesizing high-quality single crystals of rutile OsO2. Electrical transport studies reveal that OsO2 is highly conductive and exhibits clear Fermi liquid behavior, indicating strong electron-electron scattering. Magnetic measurements show that the crystals are isotropically paramagnetic. Density-functional theory calculations indicate that bulk OsO2 is semimetallic with coexisting electron and hole pockets, with its magnetic ground state strongly dependent on the on-site Coulomb correlation U. Angle-resolved photoemission spectroscopy studies unveil that the bulk bands do not yet show altermagnetic spin splitting. Interestingly, resistivity is rather pressure sensitive: at 44 GPa, a clear metal-insulator transition occurs. Hybrid functional calculations reveal that applying pressure significantly increases the Hubbard U value, driving a phase transition from a paramagnetic metal to an altermagnetic metal, and eventually to an altermagnetic insulator. These findings suggest that tuning external pressure effectively modulates the magnetic ground state of OsO2, providing a pathway to realize altermagnetism in this material.

cond-mat.mes-hall↗