arXiv subjects

Yi Liu

Publications and source records attributed to Yi Liu.

At least 271 records · Page 15Linked to original sources

arXiv2025

Physical properties and first-principles calculations of an altermagnet candidate Cs$_{1-δ}$V$_2$Te$_2$O

We report the crystal growth, structure, physical properties, and first-principles calculations of a vanadium-based oxytelluride Cs$_{1-δ}$V$_2$Te$_2$O. The material possesses two-dimensional V$_2$O square nets sandwiched by tellurium layers, with local crystallographic symmetry satisfying the spin symmetry for a $d$-wave altermagnet. An antiferromagnetic transition at 293 K is unambiguously evidenced from the measurements of magnetic susceptibility and specific heat. In addition, a secondary transition at $\sim$70 K is also observed, possibly associated with a Lifshitz transition. The first-principles calculations indicate robust Néel-type collinear antiferromagnetism in the V$_2$O plane. Consequently, spin splittings show up in momentum space, in relation with the real-space mirror/rotation symmetry. Interestingly, the V-$d_{yz}/d_{xz}$ electrons, which primarily contribute the quasi-one-dimensional Fermi surface, turns out to be fully orbital- and spin-polarized, akin to the case of a half metal. Our work lays a solid foundation on the potential applications utilizing altermagnetic properties in vanadium-based oxychalcogenides.

cond-mat.mtrl-sci↗

arXiv2025

Forecasting When to Forecast: Accelerating Diffusion Models with Confidence-Gated Taylor

Diffusion Transformers (DiTs) have demonstrated remarkable performance in visual generation tasks. However, their low inference speed limits their deployment in low-resource applications. Recent training-free approaches exploit the redundancy of features across timesteps by caching and reusing past representations to accelerate inference. Building on this idea, TaylorSeer instead uses cached features to predict future ones via Taylor expansion. However, its module-level prediction across all transformer blocks (e.g., attention or feedforward modules) requires storing fine-grained intermediate features, leading to notable memory and computation overhead. Moreover, it adopts a fixed caching schedule without considering the varying accuracy of predictions across timesteps, which can lead to degraded outputs when prediction fails. To address these limitations, we propose a novel approach to better leverage Taylor-based acceleration. First, we shift the Taylor prediction target from the module level to the last block level, significantly reducing the number of cached features. Furthermore, observing strong sequential dependencies among Transformer blocks, we propose to use the error between the Taylor-estimated and actual outputs of the first block as an indicator of prediction reliability. If the error is small, we trust the Taylor prediction for the last block; otherwise, we fall back to full computation, thereby enabling a dynamic caching mechanism. Empirical results show that our method achieves a better balance between speed and quality, achieving a 3.17x acceleration on FLUX, 2.36x on DiT, and 4.14x on Wan Video with negligible quality drop. The Project Page is \href{https://cg-taylor-acce.github.io/CG-Taylor/}{here.}

cs.CV↗

arXiv2025

Revealing the structure-property relationships of copper alloys with FAGC

Cu-Cr-Zr alloys play a crucial role in electronic devices and the electric power industry, where their electrical conductivity and hardness are of great importance. However, due to the scarcity of available samples, there has been a lack of effective studies exploring the relationship between the microstructural images of Cu-Cr-Zr alloys and their key properties. In this paper, the FAGC feature augmentation method is employed to enhance the microstructural images of Cu-Cr-Zr alloys within a feature space known as the pre-shape space. Pseudo-labels are then constructed to expand the number of training samples. These features are then input into various machine learning models to construct performance prediction models for the alloy. Finally, we validate the impact of different machine learning methods and the number of augmented features on prediction accuracy through experiments. Experimental results demonstrate that our method achieves superior performance in predicting electrical conductivity ($R^2=0.978$) and hardness ($R^2=0.998$) when using the decision tree classifier with 100 augmented samples. Further analysis reveals that regions with reduced image noise, such as fewer grain or phase boundaries, exhibit higher contributions to electrical conductivity. These findings highlight the potential of the FAGC method in overcoming the challenges of limited image data in materials science, offering a powerful tool for establishing detailed and quantitative relationships between complex microstructures and material properties.

cs.CV↗

arXiv2025

Upgrades of the ATLAS Zero Degree Calorimeter System for Run 3 at the Large Hadron Collider

Experimental studies of ultra-relativistic heavy ion collisions at the Large Hadron Collider (LHC) depend crucially on Zero Degree Calorimeters (ZDCs) that measure neutrons produced at near-beam rapidity in nucleus-nucleus collisions. In hadronic nuclear collisions these neutrons are mainly spectator neutrons, those that do not scatter from opposing nucleons during the collision. As a result, the ZDCs provide a vital probe of heavy ion collision geometry. The ZDCs are also essential in the study of ultra-peripheral collisions that are initiated by photons associated with the electric fields of one or both nuclei. Coherent photon emission typically leaves the photon emitter intact, making the observation of no ZDC signal, on one or both sides, a tag of such processes. The ATLAS ZDCs, built prior to Run 1 were substantially upgraded for LHC Run 3. The primary upgrades included replacement of the quartz Cherenkov radiator with $\text{H}_2$-doped fused silica rods; installation of fast air-core signal cables between the ZDC and the ATLAS USA15 cavern; new LED-based calibration system; and new electronics implemented for readout and fully-digital triggering. The ZDCs were also augmented with new "Reaction Plane Detectors" (RPDs) designed to measure the transverse centroid of multi-neutron showers to allow event-by-event reconstruction of the directed-flow plane in nuclear collisions. The Run~3 ZDC detectors, including the RPDs, are described in detail with emphasis on aspects that are new for Run~3.

physics.ins-det↗

arXiv2025

On Non-KAM Invariant Circles for Area-Preserving Twist Maps

In this note, we investigate the dynamics of invariant circles in area-preserving twist maps. The invariant circles under consideration lie beyond the applicability of classical KAM theory, as the perturbations involved exceed the scope of standard KAM methods. By integrating both constructive and non-constructive techniques, we establish several results on the existence and breakdown of such non-KAM invariant circles. These findings provide new evidence in support of affirmative answers to two open questions posed by Mather in 1998.

math.DS↗

arXiv2025

Deforming abelian elliptic $\mathrm{SL}(2,\mathbb{R})$--representations of knot groups

The following criterion is proved in this paper. If the Alexander polynomial of a knot $K\subset S^3$ has a zero of odd order on the complex unit circle, then there exists a continuous family of irreducible representations $π_1(S^3\setminus K)\to \mathrm{SL}(2,\mathbb{R})$ converging to an abelian representation of noncentral elliptic type. As an application, the author shows that the Alexander polynomial of any nontrivial L-space knot satisfies the condition of the criterion. In particular, it follows that the fundamental group of any nontrivial L-space knot complement admits an irreducible $\mathrm{SL}(2,\mathbb{R})$--representation.

math.GT↗

arXiv2025

Unraveling Intertwined Orders in the Strongly Correlated Kagome Metal CsCr3Sb5

While correlated phenomena of flat bands have been extensively studied in twisted systems, the ordered states that emerge from interactions in the intrinsic flat bands of kagome lattice materials remain largely unexplored. The newly discovered kagome metal CsCr3Sb5 offers a unique and rich platform for this research, as its multi-orbital flat bands at the Fermi surface result in a complex interplay of pressurized superconductivity, antiferromagnetism, a structural phase transition, and density wave orders. Here, using ultrafast optical techniques, we provide strong spectroscopic evidence for a charge density wave transition in CsCr3Sb5, resolving previous ambiguities. Crucially, we identify rotational symmetry breaking that manifests as a three-state Potts-type nematicity. Our elastoresistance measurements directly demonstrate the electronic origin of this order, as the rotational-symmetry-breaking E2g component of the elastoresistance shows a divergent behaviour around the transition temperature. This exotic nematicity results from the lifting of degeneracy of the multi-orbital flat bands, akin to phenomena seen in certain iron-based superconductors. Our study pioneers the investigation of ultrafast dynamics in flat-band systems at the Fermi surface, offering new insights into the interactions between multiple elementary excitations in strongly correlated systems.

cond-mat.str-el↗

arXiv2025

COADVISE: Covariate Adjustment with Variable Selection in Randomized Controlled Trials

Adjusting for covariates in randomized controlled trials can enhance the credibility and efficiency of treatment effect estimation. However, handling numerous covariates and their complex (non-linear) transformations poses a challenge. Motivated by the case study of the Best Apnea Interventions for Research (BestAIR) trial data from the National Sleep Research Resource (NSRR), where the number of covariates (p=114) is comparable to the sample size (N=196), we propose a principled Covariate Adjustment with Variable Selection (COADVISE) framework. COADVISE enables variable selection for covariates most relevant to the outcome while accommodating both linear and nonlinear adjustments. This framework ensures consistent estimates with improved efficiency over unadjusted estimators and provides robust variance estimation, even under outcome model misspecification. We demonstrate efficiency gains through theoretical analysis, extensive simulations, and a re-analysis of the BestAIR trial data to compare alternative variable selection strategies, offering cautionary recommendations. A user-friendly R package, Coadvise, is available to facilitate practical implementation.

stat.ME↗

arXiv2025

Leveraging Robust Optimization for LLM Alignment under Distribution Shifts

Preference alignment methods are increasingly critical for steering large language models (LLMs) to generate outputs consistent with human values. While recent approaches often rely on synthetic data generated by LLMs for scalability and cost-efficiency reasons, this reliance can introduce distribution shifts that undermine the nuanced representation of human preferences needed for desirable outputs. In this paper, we propose a novel distribution-aware optimization framework that improves preference alignment despite such shifts. Our approach first leverages well-learned classifiers to assign a calibration value to each training sample, quantifying its alignment with the target human-preferred distribution. These values are then incorporated into a robust optimization objective that minimizes the worst-case loss over regions of the data space most relevant to human preferences. By explicitly focusing optimization on the target distribution, our approach mitigates the impact of distributional mismatch and improves the generation of responses that better reflect intended values.

cs.CL↗

arXiv2025

Symmetry-forbidden intraband transitions leading to ultralow Gilbert damping in van der Waals ferromagnets

Based upon first-principles calculations, we report ultralow Gilbert damping in two-dimensional (2D) van derWaals (vdW) ferromagnets. The low damping occurs at weak scattering because mirror symmetry prohibits intraband transitions. The monotonic dependence on the electronic scattering rate suggests the absent lower limit, in contrast to conventional ferromagnetic materials. Breaking mirror symmetry through magnetization rotation, layer stacking, or structural phase transition significantly increases damping by enabling intraband transitions. Topological nodal lines, also protected by mirror symmetry, contribute substantially to interband-transition-mediated damping, which can be tuned by adjusting the Fermi level. Our findings elucidate the unique characteristics of Gilbert damping in 2D vdW ferromagnets, providing valuable insights for designing low-dimensional spintronic devices with high energy efficiency.

cond-mat.mtrl-sci↗

arXiv2025

Topological Magnetic Phases and Magnon-Phonon Hybridization in the Presence of Strong Dzyaloshinskii-Moriya Interaction

In recent years, the interplay between quantum magnetism and topology has attracted growing interest, both for its fundamental importance and its technological potential. Topological magnons, quantized spin excitations with nontrivial band topology, hold particular promise for spintronics, offering routes to robust, low-dissipation devices for next-generation information processing and storage. While topological magnons in honeycomb ferromagnets with weak next-nearest-neighbor Dzyaloshinskii-Moriya interactions (DMI) have been extensively investigated, the strong-DMI regime remains largely unexplored. In this work, we examine topological magnetic phases and magnon-phonon hybridization in a two-dimensional magnetic system with strong DMI. We show that strong DMI drives a transition from a ferromagnetic ground state to a 120$^\circ$ noncollinear order. An additional Zeeman field further induces noncoplanar spin textures, giving rise to a diverse set of topological phases. We demonstrate that these topological phases can be directly probed through the anomalous thermal Hall effect. Finally, we find that the spin-spin interactions in the strong-$D$ phase enable magnon-phonon coupling that yields hybridized topological bands, whereas such coupling vanishes in the weak-$D$ phase.

cond-mat.mes-hall↗

arXiv2025

Evaluation of Statistical Consistency in Synthetic Turbulence under Wavenumber Bounds

The random Fourier method (RFM) is widely employed for synthetic turbulence due to its mathematical clarity and simplicity. However, deviations remain between prescribed inputs and synthetic results, and the origin of these errors has not been fully evaluated. This study aims to systematically evaluate the effects of spectral coefficient calibration, grid constraints, and wavenumber bounds on the accuracy of RFM-generated turbulence. The results show that the recalibration of spectral coefficients is essential to ensure consistency in turbulent kinetic energy. The upper wavenumber bound, determined by grid resolution, controls the overall turbulent kinetic energy level, whereas the lower bound, set by computational domain size, governs the fidelity of the energy spectrum in the low-wavenumber range. Moreover, extending wavenumber bounds that exceed the grid-constrained bounds may improve turbulent kinetic energy accuracy but simultaneously amplifies spectral deviations. These findings clarify the distinct roles of coefficient calibration and wavenumber bounds in ensuring the statistical consistency of synthetic turbulence, providing practical guidance for selecting parameters in computational fluid dynamics and computational aeroacoustics applications.

physics.flu-dyn↗

arXiv2025

PubSub-VFL: Towards Efficient Two-Party Split Learning in Heterogeneous Environments via Publisher/Subscriber Architecture

With the rapid advancement of the digital economy, data collaboration between organizations has become a well-established business model, driving the growth of various industries. However, privacy concerns make direct data sharing impractical. To address this, Two-Party Split Learning (a.k.a. Vertical Federated Learning (VFL)) has emerged as a promising solution for secure collaborative learning. Despite its advantages, this architecture still suffers from low computational resource utilization and training efficiency. Specifically, its synchronous dependency design increases training latency, while resource and data heterogeneity among participants further hinder efficient computation. To overcome these challenges, we propose PubSub-VFL, a novel VFL paradigm with a Publisher/Subscriber architecture optimized for two-party collaborative learning with high computational efficiency. PubSub-VFL leverages the decoupling capabilities of the Pub/Sub architecture and the data parallelism of the parameter server architecture to design a hierarchical asynchronous mechanism, reducing training latency and improving system efficiency. Additionally, to mitigate the training imbalance caused by resource and data heterogeneity, we formalize an optimization problem based on participants' system profiles, enabling the selection of optimal hyperparameters while preserving privacy. We conduct a theoretical analysis to demonstrate that PubSub-VFL achieves stable convergence and is compatible with security protocols such as differential privacy. Extensive case studies on five benchmark datasets further validate its effectiveness, showing that, compared to state-of-the-art baselines, PubSub-VFL not only accelerates training by $2 \sim 7\times$ without compromising accuracy, but also achieves a computational resource utilization rate of up to 91.07%.

cs.LG↗

arXiv2025

Frieze charge-stripes in a correlated kagome superconductor CsCr$_3$Sb$_5$

Kagome metals have developed into a vibrant playground for materials physics, where geometric frustration, electronic correlations and band topology come together to create a variety of exotic phenomena. Recently synthesized CsCr$_3$Sb$_5$ has provided a rare opportunity to explore unconventional superconductivity in a strongly correlated kagome system with hints of frustrated magnetism and quantum criticality. Using spectroscopic imaging scanning tunneling microscopy, we reveal a cascade of density wave transitions with different symmetries in bulk single crystals of CsCr$_3$Sb$_5$. In particular, we discover a new electronic state $-$ a unidirectional density wave that breaks all mirror symmetries akin to a chiral density wave, but in contrast retains a mirror-glide symmetry. We term this state a frieze charge-stripe order phase, because its symmetry properties agree with one of the fundamental frieze symmetry groups. A combination of high-resolution imaging, Fourier analysis and theoretical simulations uncovers the crucial role of sublattice degrees of freedom in forming this phase, with internal chiral textures of opposite handedness. Our experiments reveal that superconductivity in CsCr$_3$Sb$_5$ develops from a new type of a unidirectional density wave, and set the foundation for exploring electronic states with frieze symmetry groups in quantum materials.

cond-mat.str-el↗

arXiv2025

Controlling an altermagnetic spin density wave in the kagome magnet CsCr3Sb5

The interplay of charge and spin orders lies at the heart of correlated electron physics and plays a critical role in the emergence of unconventional quantum phases. Kagome magnets provide a particularly promising platform to investigate these phenomena, owing to their geometrically frustrated lattice structure. However, resolving spin and charge orders microscopically and establishing ways to control them remain fundamental challenges. Here, we demonstrate magnetic field control of an altermagnetic spin density wave order intertwined with charge density wave order in kagome magnet CsCr3Sb5. Scanning tunneling microscopy down to deep cryogenic temperature of 50 mK reveals two previously unreported charge density wave orders in the Sb surface. Density functional theory confirms that one of them is coupled to a spin density wave with an altermagnetic ground state. The charge density waves can be tuned in both amplitude and phase by an external magnetic field, reflected in domain switching and stripe sliding of the charge density wave. Our findings deepen the understanding of symmetry-breaking in kagome systems, providing a tunable platform to explore the interplay of electronic correlation with emergent quantum magnetism.

cond-mat.str-el↗

arXiv2025

Can Data-Driven Dynamics Reveal Hidden Physics? There Is A Need for Interpretable Neural Operators

Recently, neural operators have emerged as powerful tools for learning mappings between function spaces, enabling data-driven simulations of complex dynamics. Despite their successes, a deeper understanding of their learning mechanisms remains underexplored. In this work, we classify neural operators into two types: (1) Spatial domain models that learn on grids and (2) Functional domain models that learn with function bases. We present several viewpoints based on this classification and focus on learning data-driven dynamics adhering to physical principles. Specifically, we provide a way to explain the prediction-making process of neural operators and show that neural operator can learn hidden physical patterns from data. However, this explanation method is limited to specific situations, highlighting the urgent need for generalizable explanation methods. Next, we show that a simple dual-space multi-scale model can achieve SOTA performance and we believe that dual-space multi-spatio-scale models hold significant potential to learn complex physics and require further investigation. Lastly, we discuss the critical need for principled frameworks to incorporate known physics into neural operators, enabling better generalization and uncovering more hidden physical phenomena.

cs.LG↗

arXiv2025

Material Synthesis 2025 (MatSyn25) Dataset for 2D Materials

Two-dimensional (2D) materials have shown broad application prospects in fields such as energy, environment, and aerospace owing to their unique electrical, mechanical, thermal and other properties. With the development of artificial intelligence (AI), the discovery and design of novel 2D materials have been significantly accelerated. However, due to the lack of basic theories of material synthesis, identifying reliable synthesis processes for theoretically designed materials is a challenge. The emergence of large language model offers new approaches for the reliability prediction of material synthesis processes. However, its development is limited by the lack of publicly available datasets of material synthesis processes. To address this, we present the Material Synthesis 2025 (MatSyn25), a large-scale open dataset of 2D material synthesis processes. MatSyn25 contains 163,240 pieces of synthesis process information extracted from 85,160 high-quality research articles, each including basic material information and detailed synthesis process steps. Based on MatSyn25, we developed MatSyn AI which specializes in material synthesis, and provided an interactive web platform that enables multifaceted exploration of the dataset (https://matsynai.stpaper.cn/). MatSyn25 is publicly available, allowing the research community to build upon our work and further advance AI-assisted materials science.

cond-mat.mtrl-sci↗

arXiv2025

Mitigating Biases in Language Models via Bias Unlearning

Many studies have shown various biases targeting different demographic groups in language models, amplifying discrimination and harming fairness. Recent parameter modification debiasing approaches significantly degrade core capabilities such as text coherence and task accuracy. And Prompt-based debiasing methods, only effective for predefined trigger words, fail to address deeply embedded stereotypical associations in model parameters. In this paper, we propose BiasUnlearn, a novel model debiasing framework which achieves targeted debiasing via dual-pathway unlearning mechanisms coordinating stereotype forgetting with anti-stereotype retention, while preventing bias polarity reversal through adversarial forget set and dynamic dataset swapping. We conducted extensive experiments with multiple language models across various evaluation benchmarks. The results show that BiasUnlearn outperforms existing methods in mitigating bias in language models while retaining language modeling capabilities. Further experiments reveal that debiasing weights are transferable across model variants, confirming that bias representations become entrenched during pre-training and persist through fine-tuning phases.

cs.CL↗