arXiv subjects

Yan Sun

Publications and source records attributed to Yan Sun.

At least 109 records · Page 6Linked to original sources

arXiv2025

The orbital period of the long-period and colliding-wind binary WR 146 from radio interferometry of the shock cone

We report the first measurement of the orbital period of a long-period colliding-wind binary (CWB) system WR 146, derived by tracing the rotational morphology of its wind-colliding region (WCR) and the relative orientation of the two binary components. This result is based on our imaging observations using the Very Long Baseline Array (VLBA) and the European Very Long Baseline Interferometry (VLBI) Network (EVN), combined with archival data from VLBA, EVN, the Very Large Array (VLA), the enhanced Multi-Element Radio-Linked Interferometer Network (eMERLIN) arrays, and optical images from the Hubble Space Telescope (HST). We evaluated two methods for determining the binary's orbital period based on the images of the WCR: (I) fitting the shock cone of the WCR and (II) stacking images using the cross-correlation function. Using these techniques, we find orbital period estimates of 810+120-90 years from method I and 1120+540-270 years from method II, both of which support a long orbital period of approximately 1,000 years. Furthermore, we analyzed archival spectral data of WR 146 to estimate the stellar wind velocities of the binary components, finding no significant orbital phase lag between the binary orientation and the WCR rotation. We also estimate the range of the binary's mass using the currently measured parameters.

astro-ph.SR↗

arXiv2025

A Survey on Mechanistic Interpretability for Multi-Modal Foundation Models

The rise of foundation models has transformed machine learning research, prompting efforts to uncover their inner workings and develop more efficient and reliable applications for better control. While significant progress has been made in interpreting Large Language Models (LLMs), multimodal foundation models (MMFMs) - such as contrastive vision-language models, generative vision-language models, and text-to-image models - pose unique interpretability challenges beyond unimodal frameworks. Despite initial studies, a substantial gap remains between the interpretability of LLMs and MMFMs. This survey explores two key aspects: (1) the adaptation of LLM interpretability methods to multimodal models and (2) understanding the mechanistic differences between unimodal language models and crossmodal systems. By systematically reviewing current MMFM analysis techniques, we propose a structured taxonomy of interpretability methods, compare insights across unimodal and multimodal architectures, and highlight critical research gaps.

cs.LG↗

arXiv2025

Spin dependent fluorescence mediated by anti-symmetric exchange in triplet exciton pairs

Singlet fission and triplet-triplet annihilation (TTA) are spin-dependent phenomena critical to optoelectronics. The dynamics of spin populations during geminate triplet pair separation are crucial for controlling fission and TTA rates. We show that the Dzyaloshinskii-Moriya interaction (DMI) induces level crossings between spin manifolds, affecting spin populations and TTA rates in crystalline fission semiconductors. By investigating spin-dependent fluorescence in a triplet exciton pair with the magnetic field aligned along the fine structure tensor, we isolate the effect of DMI, as the triplet wavefunctions remain unaffected by the field. Our results reveal that DMI introduces additional TTA pathways that are forbidden by spin conservation, explaining the observed evolution of optically detected magnetic resonance signals with varying magnetic field. This study highlights the significant impact of DMI on the optical properties of triplet excitons, advancing our understanding of spin dynamics in these systems.

physics.chem-ph↗

arXiv2025

TeZO: Empowering the Low-Rankness on the Temporal Dimension in the Zeroth-Order Optimization for Fine-tuning LLMs

Zeroth-order optimization (ZO) has demonstrated remarkable promise in efficient fine-tuning tasks for Large Language Models (LLMs). In particular, recent advances incorporate the low-rankness of gradients, introducing low-rank ZO estimators to further reduce GPU memory consumption. However, most existing works focus solely on the low-rankness of each individual gradient, overlooking a broader property shared by all gradients throughout the training, i.e., all gradients approximately reside within a similar subspace. In this paper, we consider two factors together and propose a novel low-rank ZO estimator, TeZO, which captures the low-rankness across both the model and temporal dimension. Specifically, we represent ZO perturbations along the temporal dimension as a 3D tensor and employ Canonical Polyadic Decomposition (CPD) to extract each low-rank 2D matrix, significantly reducing the training cost. TeZO can also be easily extended to the Adam variant while consuming less memory than MeZO-SGD, and requiring about only 35% memory of MeZO-Adam. Both comprehensive theoretical analysis and extensive experimental research have validated its efficiency, achieving SOTA-comparable results with lower overhead of time and memory.

cs.LG↗

arXiv2025

MolGraph-xLSTM: A graph-based dual-level xLSTM framework with multi-head mixture-of-experts for enhanced molecular representation and interpretability

Predicting molecular properties is essential for drug discovery, and computational methods can greatly enhance this process. Molecular graphs have become a focus for representation learning, with Graph Neural Networks (GNNs) widely used. However, GNNs often struggle with capturing long-range dependencies. To address this, we propose MolGraph-xLSTM, a novel graph-based xLSTM model that enhances feature extraction and effectively models molecule long-range interactions. Our approach processes molecular graphs at two scales: atom-level and motif-level. For atom-level graphs, a GNN-based xLSTM framework with jumping knowledge extracts local features and aggregates multilayer information to capture both local and global patterns effectively. Motif-level graphs provide complementary structural information for a broader molecular view. Embeddings from both scales are refined via a multi-head mixture of experts (MHMoE), further enhancing expressiveness and performance. We validate MolGraph-xLSTM on 10 molecular property prediction datasets, covering both classification and regression tasks. Our model demonstrates consistent performance across all datasets, with improvements of up to 7.03% on the BBBP dataset for classification and 7.54% on the ESOL dataset for regression compared to baselines. On average, MolGraph-xLSTM achieves an AUROC improvement of 3.18\% for classification tasks and an RMSE reduction of 3.83\% across regression datasets compared to the baseline methods. These results confirm the effectiveness of our model, offering a promising solution for molecular representation learning for drug discovery.

cs.LG↗

arXiv2025

A-FedPD: Aligning Dual-Drift is All Federated Primal-Dual Learning Needs

As a popular paradigm for juggling data privacy and collaborative training, federated learning (FL) is flourishing to distributively process the large scale of heterogeneous datasets on edged clients. Due to bandwidth limitations and security considerations, it ingeniously splits the original problem into multiple subproblems to be solved in parallel, which empowers primal dual solutions to great application values in FL. In this paper, we review the recent development of classical federated primal dual methods and point out a serious common defect of such methods in non-convex scenarios, which we say is a "dual drift" caused by dual hysteresis of those longstanding inactive clients under partial participation training. To further address this problem, we propose a novel Aligned Federated Primal Dual (A-FedPD) method, which constructs virtual dual updates to align global consensus and local dual variables for those protracted unparticipated local clients. Meanwhile, we provide a comprehensive analysis of the optimization and generalization efficiency for the A-FedPD method on smooth non-convex objectives, which confirms its high efficiency and practicality. Extensive experiments are conducted on several classical FL setups to validate the effectiveness of our proposed method.

cs.LG↗

arXiv2025

Examining Turbulence in Galactic Molecular Clouds -- I: A Statistical Analysis of Velocity Structures

We present a systematic analysis of the velocity structure functions (VSFs) of 167 molecular clouds with angular sizes greater than $\sim$176 arcmin$^2$ in three sectors of the Galactic mid-plane. We calculated the 1st- to 3rd-order VSFs and found that 60\% of the VSFs exhibit power-law distributions. The relative power-law exponents are consistent with predictions from intermittent turbulence models. Column density weighting reduces the proportion of power-law VSFs and steepens the VSF slopes, implying a reduction of turbulent energy in high-density regions. All clouds show small-scale intermittency, with slightly stronger intermittency in those molecular clouds showing none power-law VSFs. Negative VSF exponents that may indicate gravitational collapse are not observed in our sample. The scaling exponents of the observed VSFs do not correlate with the virial parameters of the molecular clouds. These two observations suggest that gravity-dominated scales in molecular clouds still need further investigation. Consistent VSF scaling exponents for the molecular clouds with significant power-law VSFs suggest large-scale external driving of turbulence in these molecular clouds. However, the driving mechanisms are likely not universal, as the power-law scaling coefficients in our results show relatively large scatter. The fact that nearly 40\% of the VSFs deviate to some extent from power-law distributions suggests that the influence of local environments on the internal turbulence of molecular clouds may not be negligible.

astro-ph.GA↗

arXiv2025

Inadequate turbulent support in low-metallicity molecular clouds

The dynamic properties of molecular clouds are set by the interplay of their self-gravity, turbulence, external pressure and magnetic fields. Extended surveys of Galactic molecular clouds typically find that their kinetic energy ($E_{\rm k}$) counterbalances their self-gravitational energy ($E_{\rm g}$), setting their virial parameter $α_{\rm vir}=2E_{\rm k}/|E_{\rm g}|\approx1$. However, past studies either have been biased by the use of optically-thick lines or have been limited within the solar neighborhood and the inner Galaxy (Galactocentric radius $R_{\rm gc}<R_{\rm gc,\odot} \approx 8$ kpc). Here we present sensitive mapping observations of optically thin $^{13}$CO lines towards molecular clouds in the low-metallicity Galactic outer disk ($R_{\rm gc}\sim9-24$ kpc). By combining archival data from the inner Galaxy and four nearby metal-poor dwarf galaxies, we reveal a systematic trend of $α_{\rm vir}$, which declines from supervirial dynamic states in metal-rich clouds to extremely subvirial dynamic states in metal-poor clouds. In these metal-poor environments, turbulence alone is insufficient to counterbalance the self-gravity of a cloud. A cloud-volumetric magnetic field may replace turbulence as the dominant cloud-supporting mechanism in low-metallicity conditions, for example, the outermost galactic disks, dwarf galaxies and galaxies in the early Universe, which would then inevitably impact the initial conditions for star formation in such environments.

astro-ph.GA↗

arXiv2024

Magnetism and weak electronic correlations in Kagome metal ScV$_6$Sn$_6$

As one class of typical quantum materials, Kagome metals in $A$V$_3$Sb$_5$($A$ = K, Rb, Cs) have attracted extensive attentions due to their interesting physical properties and different quantum phases of charge density wave (CDW), superconductivity and nontrivial topology. Recently, a new CDW phase in ScV$_6$Sn$_6$ was experimentally observed and inspired a wide study of the mechanism of driving force. To have a clear understanding of the correlation effect in the CDW phase in ScV$_6$Sn$_6$, we performed a systematic density functional theory plus dynamical mean field theory (DFT + DMFT) calculations. The resulting static local spin susceptibility is nearly independent of temperature, indicating the absence of local moment on atom V, in full agreement with experimental measurements. The mass enhancements of quasiparticles and bandwidth renormalizations near the Fermi level show a weak correlation strength in ScV$_6$Sn$_6$. In addition, the comparable mass enhancements of quasiparticles in ScV$_6$Sn$_6$ with CDW order and YV$_6$Sn$_6$ without CDW phase suggests that electronic correlations corresponding to Fermi surface nesting do not play the dominant role in the formation of CDW order in ScV$_6$Sn$_6$.

cond-mat.str-el↗

arXiv2024

The Fe-N system: crystal structure prediction, phase stability, and mechanical properties

Nitriding introduces nitrides into the surface of steels, significantly enhancing the surface me-chanical properties. By combining the variable composition evolutionary algorithm and first-principles calculations based on density functional theory, 50 thermodynamically stable or metastable Fe-N compounds with various stoichiometric ratios were identified, exhibiting also dynamic and mechanical stability. The mechanical properties of these structures were systemati-cally studied, including the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, Pugh's ratio, Cauchy pressure, Klemen parameters, universal elastic anisotropy, Debye tempera-ture, and Vickers hardness. All identified stable and metastable Fe-N compounds were found in the ductile region, with most exhibiting homogeneous elastic properties and isotropic metallic bonding. As the nitrogen concentration increases, their bulk moduli generally increase as well. The Vickers hardness values of Fe-N compounds range from 3.5 to 10.5 GPa, which are signifi-cantly higher than that of pure Fe (2.0 GPa), due to the stronger Fe-N bonds strength. This study provides insights into optimizing and designing Fe-N alloys with tailored mechanical properties.

cond-mat.mtrl-sci↗

arXiv2024

WaveRoRA: Wavelet Rotary Route Attention for Multivariate Time Series Forecasting

In recent years, Transformer-based models (Transformers) have achieved significant success in multivariate time series forecasting (MTSF). However, previous works focus on extracting features either from the time domain or the frequency domain, which inadequately captures the trends and periodic characteristics. To address this issue, we propose a wavelet learning framework to model complex temporal dependencies of the time series data. The wavelet domain integrates both time and frequency information, allowing for the analysis of local characteristics of signals at different scales. Additionally, the Softmax self-attention mechanism used by Transformers has quadratic complexity, which leads to excessive computational costs when capturing long-term dependencies. Therefore, we propose a novel attention mechanism: Rotary Route Attention (RoRA). Unlike Softmax attention, RoRA utilizes rotary position embeddings to inject relative positional information to sequence tokens and introduces a small number of routing tokens $r$ to aggregate information from the $KV$ matrices and redistribute it to the $Q$ matrix, offering linear complexity. We further propose WaveRoRA, which leverages RoRA to capture inter-series dependencies in the wavelet domain. We conduct extensive experiments on eight real-world datasets. The results indicate that WaveRoRA outperforms existing state-of-the-art models while maintaining lower computational costs. Our code is available at https://github.com/Leopold2333/WaveRoRA.

cs.LG↗

arXiv2024

A Unified Analysis for Finite Weight Averaging

Averaging iterations of Stochastic Gradient Descent (SGD) have achieved empirical success in training deep learning models, such as Stochastic Weight Averaging (SWA), Exponential Moving Average (EMA), and LAtest Weight Averaging (LAWA). Especially, with a finite weight averaging method, LAWA can attain faster convergence and better generalization. However, its theoretical explanation is still less explored since there are fundamental differences between finite and infinite settings. In this work, we first generalize SGD and LAWA as Finite Weight Averaging (FWA) and explain their advantages compared to SGD from the perspective of optimization and generalization. A key challenge is the inapplicability of traditional methods in the sense of expectation or optimal values for infinite-dimensional settings in analyzing FWA's convergence. Second, the cumulative gradients introduced by FWA introduce additional confusion to the generalization analysis, especially making it more difficult to discuss them under different assumptions. Extending the final iteration convergence analysis to the FWA, this paper, under a convexity assumption, establishes a convergence bound $\mathcal{O}(\log\left(\frac{T}{k}\right)/\sqrt{T})$, where $k\in[1, T/2]$ is a constant representing the last $k$ iterations. Compared to SGD with $\mathcal{O}(\log(T)/\sqrt{T})$, we prove theoretically that FWA has a faster convergence rate and explain the effect of the number of average points. In the generalization analysis, we find a recursive representation for bounding the cumulative gradient using mathematical induction. We provide bounds for constant and decay learning rates and the convex and non-convex cases to show the good generalization performance of FWA. Finally, experimental results on several benchmarks verify our theoretical results.

cs.LG↗

arXiv2024

O-MAGIC: Online Change-Point Detection for Dynamic Systems

The capture of changes in dynamic systems, especially ordinary differential equations (ODEs), is an important and challenging task, with multiple applications in biomedical research and other scientific areas. This article proposes a fast and mathematically rigorous online method, called ODE-informed MAnifold-constrained Gaussian process Inference for Change point detection(O-MAGIC), to detect changes of parameters in the ODE system using noisy and sparse observation data. O-MAGIC imposes a Gaussian process prior to the time series of system components with a latent manifold constraint, induced by restricting the derivative process to satisfy ODE conditions. To detect the parameter changes from the observation, we propose a procedure based on a two-sample generalized likelihood ratio (GLR) test that can detect multiple change points in the dynamic system automatically. O-MAGIC bypasses conventional numerical integration and achieves substantial savings in computation time. By incorporating the ODE structures through manifold constraints, O-MAGIC enjoys a significant advantage in detection delay, while following principled statistical construction under the Bayesian paradigm, which further enables it to handle systems with missing data or unobserved components. O-MAGIC can also be applied to general nonlinear systems. Simulation studies on three challenging examples: SEIRD model, Lotka-Volterra model and Lorenz model are provided to illustrate the robustness and efficiency of O-MAGIC, compared with numerical integration and other popular time-series-based change point detection benchmark methods.

stat.AP↗

arXiv2024

A new view of the Spiral Structure of the Northern Outer Milky Way in Carbon Monoxide

Based on 32162 molecular clouds from the Milky Way Imaging Scroll Painting project, we obtain new face-on molecular gas maps of the northern outer Galaxy. The total molecular gas surface density map reveals three segments of spirals, extending 16-43 kiloparsecs in length. The Perseus and Outer arms stand out prominently, appearing as quasi-continuous structures along most of their length. At the Galactic outskirts, about 1306 clouds connect the two segments of the new spiral arm discovered by Dame & Thaddeus (2011) in the first quadrant and Sun et al. (2015) in the second quadrant, possibly extending the arm into the outer third quadrant. Logarithmic spirals can be fitted to the CO arm segments with pitch angles ranging from 4 to 12 degree. These CO arms extend beyond previous CO studies and the optical radius, reaching a galactic radius of about 22 kiloparsecs, comparable to the HI radial range.

astro-ph.GA↗

arXiv2024

Stability and Generalization for Distributed SGDA

Minimax optimization is gaining increasing attention in modern machine learning applications. Driven by large-scale models and massive volumes of data collected from edge devices, as well as the concern to preserve client privacy, communication-efficient distributed minimax optimization algorithms become popular, such as Local Stochastic Gradient Descent Ascent (Local-SGDA), and Local Decentralized SGDA (Local-DSGDA). While most existing research on distributed minimax algorithms focuses on convergence rates, computation complexity, and communication efficiency, the generalization performance remains underdeveloped, whereas generalization ability is a pivotal indicator for evaluating the holistic performance of a model when fed with unknown data. In this paper, we propose the stability-based generalization analytical framework for Distributed-SGDA, which unifies two popular distributed minimax algorithms including Local-SGDA and Local-DSGDA, and conduct a comprehensive analysis of stability error, generalization gap, and population risk across different metrics under various settings, e.g., (S)C-(S)C, PL-SC, and NC-NC cases. Our theoretical results reveal the trade-off between the generalization gap and optimization error and suggest hyperparameters choice to obtain the optimal population risk. Numerical experiments for Local-SGDA and Local-DSGDA validate the theoretical results.

cs.LG↗

arXiv2024

Absence of altermagnetic spin splitting character in rutile oxide RuO$_2$

Rutile RuO$_2$ has been posited as a potential $d$-wave altermagnetism candidate, with a predicted significant spin splitting up to 1.4 eV. Despite accumulating theoretical predictions and transport measurements, direct spectroscopic observation of spin splitting has remained elusive. Here, we employ spin- and angle-resolved photoemission spectroscopy to investigate the band structures and spin polarization of thin-film and single-crystal RuO$_2$. Contrary to expectations of altermagnetism, our analysis indicates that RuO$_2$'s electronic structure aligns with those predicted under non-magnetic conditions, exhibiting no evidence of the hypothesized spin splitting. Additionally, we observe significant in-plane spin polarization of the low-lying bulk bands, which is antisymmetric about the high-symmetry plane and contrary to the $d$-wave spin texture due to time-reversal symmetry breaking in altermagnetism. These findings definitively challenge the altermagnetic order previously proposed for rutile RuO$_2$, prompting a reevaluation of its magnetic properties.

cond-mat.mtrl-sci↗

arXiv2024

Magnitude Pruning of Large Pretrained Transformer Models with a Mixture Gaussian Prior

Large pretrained transformer models have revolutionized modern AI applications with their state-of-the-art performance in natural language processing (NLP). However, their substantial parameter count poses challenges for real-world deployment. To address this, researchers often reduce model size by pruning parameters based on their magnitude or sensitivity. Previous research has demonstrated the limitations of magnitude pruning, especially in the context of transfer learning for modern NLP tasks. In this paper, we introduce a new magnitude-based pruning algorithm called mixture Gaussian prior pruning (MGPP), which employs a mixture Gaussian prior for regularization. MGPP prunes non-expressive weights under the guidance of the mixture Gaussian prior, aiming to retain the model's expressive capability. Extensive evaluations across various NLP tasks, including natural language understanding, question answering, and natural language generation, demonstrate the superiority of MGPP over existing pruning methods, particularly in high sparsity settings. Additionally, we provide a theoretical justification for the consistency of the sparse transformer, shedding light on the effectiveness of the proposed pruning method.

stat.ML↗

arXiv2024

Origin of the charge density wave state in BaFe$_2$Al$_9$

Recently, a first-order phase transition associated with charge density wave (CDW) has been observed at low temperatures in intermetallic compound BaFe$_2$Al$_9$. However, this transition is absent in its isostructural sister compound BaCo$_2$Al$_9$. Consequently, an intriguing question arises as to the underlying factors that differentiate BaFe$_2$Al$_9$ from BaCo$_2$Al$_9$ and drive the CDW transition in BaFe$_2$Al$_9$. Here, we set out to address this question by conducting a comparative \emph{ab initio} study of the electronic structures, lattice dynamics, \textcolor{black}{and electron-phonon interactions} of their high-temperature phases. We find that both compounds are dynamically stable with similar phonon dispersions. The electronic structure calculations reveal that both compounds are nonmagnetic metals; however, they exhibit distinct band structures around the Fermi level. In particular, BaFe$_2$Al$_9$ exhibits a higher density of states at the Fermi level with dominant partially filled Fe-$3d$ states and a more intricate Fermi surface. This leads to an electronic instability of BaFe$_2$Al$_9$ toward the CDW transition, which is manifested by the diverged electronic susceptibility at the CDW wave vector $\mathbf{q}_{\rm CDW}$=(0.5, 0, 0.3), observable in both the real and imaginary parts. Conversely, BaCo$_2$Al$_9$ does not display such behavior, aligning well with experimental observations. Although the electron-phonon interactions in BaFe$_2$Al$_9$ surpass those in BaCo$_2$Al$_9$ by two orders of magnitude, the strength is relatively weak at the CDW wave vector, suggesting that the CDW in BaFe$_2$Al$_9$ is primarily driven by electronic factors.

cond-mat.mtrl-sci↗