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Published work

21 published item(s)

preprint2026arXiv

Multi-Pedestrian Safety Warning at Urban Intersections Use Case of Digital Twin

Digital twins (DTs) for urban transportation systems have gained increasing attention; however, their systematic evaluation in safety-critical scenarios remains limited. This paper presents a multi-pedestrian safety warning system at urban intersections enabled by a tightly coupled physical-digital twin framework. Built upon the COSMOS city-scale wireless testbed in New York City, the proposed system integrates camera and ultra-wideband (UWB), edge-cloud computing, predictive trajectory modeling, and MQTT-based communication to deliver real-time safety alerts to vulnerable road users (VRUs). The system is evaluated through both field deployment and virtual reality (VR) experiments. Results demonstrate high warning generation accuracy, localization accuracy, efficient end-to-end latency under different model configurations, and significant reductions in user response time when warnings are issued. The proposed DT framework provides a scalable, modular, and generalizable solution for real-time multi-pedestrian safety enhancement at complex urban intersections.

preprint2025arXiv

Ultrahigh-Energy Gamma-ray Emission Associated with Black Hole-Jet Systems

Black holes (BH), one of the most intriguing objects in the universe, can manifest themselves through electromagnetic radiation initiated by the accretion flow. Some stellar-mass BHs drive relativistic jets when accreting matter from their companion stars, forming microquasars. Non-thermal emission from the radio to tera-electronvolt (TeV) gamma-ray band has been observed from microquasars, indicating the acceleration of relativistic particles. Here we report detection of four microquasars (SS 433, V4641 Sgr, GRS 1915+105, MAXI J1820+070) of spectrum extending to the ultrahigh-energy (UHE; photon energy $E>100$ TeV) band and one microquasar (Cygnus X-1) of spectrum approaching 100 TeV, using the Large High Altitude Air Shower Observatory (LHAASO). Notably, the total emission associated with SS 433 cannot be interpreted with a single leptonic component. In the UHE band, its emission is in spatial coincidence with a giant atomic cloud, which is consistent with a hadronic origin. An elongated source is discovered from V4641 Sgr with the spectrum continuing up to 800 TeV. The detection of UHE gamma rays demonstrates that accreting BHs and their environments can operate as extremely efficient accelerators of particles out of 1 peta-electronvolt (PeV), suggesting microquasars to be important contributors to Galactic cosmic rays especially around the `knee' region.

preprint2022arXiv

Analytical energy gradient for state-averaged orbital-optimized variational quantum eigensolvers and its application to a photochemical reaction

Elucidating photochemical reactions is vital to understand various biochemical phenomena and develop functional materials such as artificial photosynthesis and organic solar cells, albeit its notorious difficulty by both experiments and theories. The best theoretical way so far to analyze photochemical reactions at the level of ab initio electronic structure is the state-averaged multi-configurational self-consistent field (SA-MCSCF) method. However, the exponential computational cost of classical computers with the increasing number of molecular orbitals hinders applications of SA-MCSCF for large systems we are interested in. Utilizing quantum computers was recently proposed as a promising approach to overcome such computational cost, dubbed as state-averaged orbital-optimized variational quantum eigensolver (SA-OO-VQE). Here we extend a theory of SA-OO-VQE so that analytical gradients of energy can be evaluated by standard techniques that are feasible with near-term quantum computers. The analytical gradients, known only for the state-specific OO-VQE in previous studies, allow us to determine various characteristics of photochemical reactions such as the conical intersection (CI) points. We perform a proof-of-principle calculation of our methods by applying it to the photochemical cis-trans isomerization of 1,3,3,3-tetrafluoropropene. Numerical simulations of quantum circuits and measurements can correctly capture the photochemical reaction pathway of this model system, including the CI points. Our results illustrate the possibility of leveraging quantum computers for studying photochemical reactions.

preprint2022arXiv

Approximation of Images via Generalized Higher Order Singular Value Decomposition over Finite-dimensional Commutative Semisimple Algebra

Low-rank approximation of images via singular value decomposition is well-received in the era of big data. However, singular value decomposition (SVD) is only for order-two data, i.e., matrices. It is necessary to flatten a higher order input into a matrix or break it into a series of order-two slices to tackle higher order data such as multispectral images and videos with the SVD. Higher order singular value decomposition (HOSVD) extends the SVD and can approximate higher order data using sums of a few rank-one components. We consider the problem of generalizing HOSVD over a finite dimensional commutative algebra. This algebra, referred to as a t-algebra, generalizes the field of complex numbers. The elements of the algebra, called t-scalars, are fix-sized arrays of complex numbers. One can generalize matrices and tensors over t-scalars and then extend many canonical matrix and tensor algorithms, including HOSVD, to obtain higher-performance versions. The generalization of HOSVD is called THOSVD. Its performance of approximating multi-way data can be further improved by an alternating algorithm. THOSVD also unifies a wide range of principal component analysis algorithms. To exploit the potential of generalized algorithms using t-scalars for approximating images, we use a pixel neighborhood strategy to convert each pixel to "deeper-order" t-scalar. Experiments on publicly available images show that the generalized algorithm over t-scalars, namely THOSVD, compares favorably with its canonical counterparts.

preprint2022arXiv

Excited state calculations using variational quantum eigensolver with spin-restricted ansätze and automatically-adjusted constraints

The ground and excited state calculations at key geometries, such as the Frank-Condon (FC) and the conical intersection (CI) geometries, are essential for understanding photophysical properties. To compute these geometries on noisy intermediate-scale quantum devices, we proposed a strategy that combined a chemistry-inspired spin-restricted ansatz and a new excited state calculation method called the variational quantum eigensolver under automatically-adjusted constraints (VQE/AC). Unlike the conventional excited state calculation method, called the variational quantum deflation, the VQE/AC does not require the pre-determination of constraint weights and has the potential to describe smooth potential energy surfaces. To validate this strategy, we performed the excited state calculations at the FC and CI geometries of ethylene and phenol blue at the complete active space self-consistent field (CASSCF) level of theory, and found that the energy errors were at most 2 kcal mol$^{-1}$ even on the ibm_kawasaki device.

preprint2022arXiv

Li-rich Giants Identified from LAMOST DR8 Low-Resolution Survey

A small fraction of giants possess photospheric lithium(Li) abundance higher than the value predicted by the standard stellar evolution models, and the detailed mechanisms of Li enhancement are complicated and lack a definite conclusion. In order to better understand the Li enhancement behaviors, a large and homogeneous Li-rich giants sample is needed. In this study, we designed a modified convolutional neural network model called Coord-DenseNet to determine the A(Li) of Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) low-resolution survey (LRS) giant spectra. The precision is good on the test set: MAE=0.15 dex, and σ=0.21 dex. We used this model to predict the Li abundance of more than 900,000 LAMOST DR8 LRS giant spectra and identified 7,768 Li-rich giants with Li abundances ranging from 2.0 to 5.4 dex, accounting for about 1.02% of all giants. We compared the Li abundance estimated by our work with those derived from high-resolution spectra. We found that the consistency was good if the overall deviation of 0.27 dex between them was not considered. The analysis shows that the difference is mainly due to the high A(Li) from the medium-resolution spectra in the training set. This sample of Li-rich giants dramatically expands the existing sample size of Li-rich giants and provides us with more samples to further study the formation and evolution of Li-rich giants.

preprint2022arXiv

Natural quantum reservoir computing for temporal information processing

Reservoir computing is a temporal information processing system that exploits artificial or physical dissipative dynamics to learn a dynamical system and generate the target time-series. This paper proposes the use of real superconducting quantum computing devices as the reservoir, where the dissipative property is served by the natural noise added to the quantum bits. The performance of this natural quantum reservoir is demonstrated in a benchmark time-series regression problem and a practical problem classifying different objects based on temporal sensor data. In both cases the proposed reservoir computer shows a higher performance than a linear regression or classification model. The results indicate that a noisy quantum device potentially functions as a reservoir computer, and notably, the quantum noise, which is undesirable in the conventional quantum computation, can be used as a rich computation resource.

preprint2022arXiv

Stellar Atmospheric Parameters of M-type Stars from LAMOST DR8

The Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) Low Resolution Spectroscopic Survey (LRS) provides massive spectroscopic data of M-type stars, and the derived stellar parameters could bring vital help to various studies. We adopt the ULySS package to perform $χ^2$ minimization with model spectra generated from the MILES interpolator, and determine the stellar atmospheric parameters for the M-type stars from LAMOST LRS Data Release (DR) 8. Comparison with the stellar parameters from APOGEE Stellar Parameter and Chemical Abundance Pipeline (ASPCAP) suggests that most of our results have good consistency. For M dwarfs, we achieve dispersions better than 74 K, 0.19 dex and 0.16 dex for $T_{\rm eff}$, $\log{g}$ and [Fe/H], while for M giants, the internal uncertainties are 58 K, 0.32 dex and 0.26 dex, respectively. Compared to ASPCAP we also find a systematic underestimation of $Δ{T_{\rm eff}} =$ $-$176 K for M dwarfs, and a systematic overestimation of $Δ{\log{g}} =$ 0.30 dex for M giants. However, such differences are less significant when we make comparison with common stars from other literature, which indicates that systematic biases exist in the difference of ASPCAP and other measurements. A catalog of 763,136 spectra corresponding to 616,314 M-type stars with derived stellar parameters is presented. We determine the stellar parameters for stars with $T_{\rm eff}$ higher than 2,900 K, with $\log{g}$ from -0.24 dex to 5.9 dex. The typical precisions are 45 K, 0.25 dex and 0.22 dex, for $T_{\rm eff}$, $\log{g}$ and [Fe/H], respectively, which are estimated from the duplicate observations of the same stars.

preprint2022arXiv

Thermodynamic constraints on the nonequilibrium response of one-dimensional diffusions

We analyze the static response to perturbations of nonequilibrium steady states that can be modeled as one-dimensional diffusions on the circle. We demonstrate that an arbitrary perturbation can be broken up into a combination of three specific classes of perturbations that can be fruitfully addressed individually. For each class, we derive a simple formula that quantitatively characterizes the response in terms of the strength of nonequilibrium driving valid arbitrarily far from equilibrium.

preprint2021arXiv

A robust single-pixel particle image velocimetry based on fully convolutional networks with cross-correlation embedded

Particle image velocimetry (PIV) is essential in experimental fluid dynamics. In the current work, we propose a new velocity field estimation paradigm, which achieves a synergetic combination of the deep learning method and the traditional cross-correlation method. Specifically, the deep learning method is used to optimize and correct a coarse velocity guess to achieve a super-resolution calculation. And the cross-correlation method provides the initial velocity field based on a coarse correlation with a large interrogation window. As a reference, the coarse velocity guess helps with improving the robustness of the proposed algorithm. This fully convolutional network with embedded cross-correlation is named as CC-FCN. CC-FCN has two types of input layers, one is for the particle images, and the other is for the initial velocity field calculated using cross-correlation with a coarse resolution. Firstly, two pyramidal modules extract features of particle images and initial velocity field respectively. Then the fusion module appropriately fuses these features. Finally, CC-FCN achieves the super-resolution calculation through a series of deconvolution layers to obtain the single-pixel velocity field. As the supervised learning strategy is considered, synthetic data sets including ground-truth fluid motions are generated to train the network parameters. Synthetic and real experimental PIV data sets are used to test the trained neural network in terms of accuracy, precision, spatial resolution and robustness. The test results show that these attributes of CC-FCN are further improved compared with those of other tested PIV algorithms. The proposed model could therefore provide competitive and robust estimations for PIV experiments.

preprint2021arXiv

Calculating transition amplitudes by variational quantum deflation

Variational quantum eigensolver (VQE) is an appealing candidate for the application of near-term quantum computers. A technique introduced in [Higgot et al., Quantum 3, 156 (2019)], which is named variational quantum deflation (VQD), has extended the ability of the VQE framework for finding excited states of a Hamiltonian. However, no method to evaluate transition amplitudes between the eigenstates found by the VQD without using any costly Hadamard-test-like circuit has been proposed despite its importance for computing properties of the system such as oscillator strengths of molecules. Here we propose a method to evaluate transition amplitudes between the eigenstates obtained by the VQD avoiding any Hadamard-test-like circuit. Our method relies only on the ability to estimate overlap between two states, so it does not restrict to the VQD eigenstates and applies for general situations. To support the significance of our method, we provide a comprehensive comparison of three previously proposed methods to find excited states with numerical simulation of three molecules (lithium hydride, diazene, and azobenzene) in a noiseless situation and find that the VQD method exhibits the best performance among the three methods. Finally, we demonstrate the validity of our method by calculating the oscillator strength of lithium hydride, comparing results from numerical simulations and real-hardware experiments on the cloud enabled quantum computer IBMQ Rome. Our results illustrate the superiority of the VQD to find excited states and widen its applicability to various quantum systems.

preprint2021arXiv

Chemical abundances of three new Ba stars from the Keck/HIRES spectra

Based on high resolution, high signal-to-noise (S/N) ratio spectra from Keck/HIRES, we have determined abundances of 20 elements for 18 Ba candidates. The parameter space of these stars are in the range of 4880 $\leq$ $\rm{T_{eff}}$ $\leq$ 6050 K, 2.56 $\leq$ log $g$ $\leq$ 4.53 dex and -0.27 $\leq$ [Fe/H] $\leq$ 0.09 dex. It is found that four of them can be identified as Ba stars with [s/Fe] $>$ 0.25 dex (s: Sr, Y, Zr, Ba, La, Ce and Nd), and three of them are newly discovered, which includes two Ba giants (HD 16178 and HD 22233) and one Ba subgiant (HD 2946). Our results show that the abundances of $α$, odd and iron-peak elements (O, Na, Mg, Al, Si, Ca, Sc, Ti, Mn, Ni and Cu) for our program stars are similar to those of the thin disk, while the distribution of [hs/ls] (hs: Ba, La, Ce and Nd, ls: Sr, Y and Zr) ratios of our Ba stars is similar to those of the known Ba objects. None of the four Ba stars show clear enhancement in carbon including the known CH subgiant HD 4395. It is found that three of the Ba stars present clear evidences of hosting stellar or sub-stellar companions from the radial velocity data.

preprint2021arXiv

Protein-protein interactions enhance the thermal resilience of SpyRing enzymes: a molecular dynamic simulation study

Recently a technique based on the interaction between adhesion proteins extracted from Streptococcus pyogenes, known as SpyRing, has been widely used to improve the thermal resilience of enzymes, the assembly of biostructures, cancer cell recognition and other fields. In SpyRing, the two termini of the target enzyme are respectively linked to the peptide SpyTag and its protein partner SpyCatcher. SpyTag spontaneously reacts with SpyCatcher to form an isopeptide bond, with which the target enzyme forms a close ring structure. It was believed that the covalent cyclization of protein skeleton caused by SpyRing reduces the conformational entropy of biological structure and improves its rigidity, thus improving the thermal resilience of the target enzyme. However, the effects of SpyTag/ SpyCatcher interaction with this enzyme are poorly understood, and their regulation of enzyme properties remains unclear. Here, for simplicity, we took the single domain enzyme lichenase from Bacillus subtilis 168 as an example, studied the interface interactions in the SpyRing system by molecular dynamics simulations, and examined the effects of the changes of electrostatic interaction and van der Waals interaction on the thermal resilience of target enzyme. The simulations showed that the interface between SpyTag/SpyCatcher and lichenase is different from that found by geometric matching method and highlighted key mutations that affect the intensity of interactions at the interface and might have effect on the thermal resilience of the enzyme. Our calculations provided new insights into the rational designs in the SpyRing.

preprint2020arXiv

Analysis and synthesis of feature map for kernel-based quantum classifier

A method for analyzing the feature map for the kernel-based quantum classifier is developed; that is, we give a general formula for computing a lower bound of the exact training accuracy, which helps us to see whether the selected feature map is suitable for linearly separating the dataset. We show a proof of concept demonstration of this method for a class of 2-qubit classifier, with several 2-dimensional dataset. Also, a synthesis method, that combines different kernels to construct a better-performing feature map in a lager feature space, is presented.

preprint2020arXiv

Applications of Quantum Computing for Investigations of Electronic Transitions in Phenylsulfonyl-carbazole TADF Emitters

A quantum chemistry study of the first singlet (S1) and triplet (T1) excited states of phenylsulfonyl-carbazole compounds, proposed as useful thermally activated delayed fluorescence (TADF) emitters for organic light emitting diode (OLED) applications, was performed with the quantum Equation-Of-Motion Variational Quantum Eigensolver (qEOM-VQE) and Variational Quantum Deflation (VQD) algorithms on quantum simulators and devices. These quantum simulations were performed with double zeta quality basis sets on an active space comprising the highest occupied and lowest unoccupied molecular orbitals (HOMO, LUMO) of the TADF molecules. The differences in energy separations between S1 and T1 ($ΔE_{st}$) predicted by calculations on quantum simulators were found to be in excellent agreement with experimental data. Differences of 16 and 88 mHa with respect to exact energies were found for excited states by using the qEOM-VQE and VQD algorithms, respectively, to perform simulations on quantum devices without error mitigation. By utilizing error mitigation by state tomography to purify the quantum states and correct energy values, the large errors found for unmitigated results could be improved to differences of, at most, 3 mHa with respect to exact values. Consequently, excellent agreement could be found between values of $ΔE_{st}$ predicted by quantum simulations and those found in experiments.

preprint2020arXiv

LAMOST/HRS Spectroscopic Analysis of Two New Li-rich Giants

Two Li-rich candidates, TYC 1338-1410-1 and TYC 2825-596-1, were observed with the new high-resolution echelle spectrograph, LAMOST/HRS. Based on the high-resolution and high-signal-to-noise ratio (SNR) spectra, we derived stellar parameters and abundances of 14 important elements for the two candidates. The stellar parameters and lithium abundances indicate that they are Li-rich K-type giants, and they have A(Li)$_\mathrm{NLTE}$ of 1.77 and 2.91 dex, respectively. Our analysis suggests that TYC 1338-1410-1 is likely a red giant branch (RGB) star at the bump stage, while TYC 2825-596-1 is most likely a core helium-burning red clump (RC) star. The line profiles of both spectra indicate that the two Li-rich giants are slow rotators and do not show infrared (IR) excess. We conclude that engulfment is not the lithium enrichment mechanism for either star. The enriched lithium of TYC 1338-1410-1 could be created via Cameron-Fowler mechanism, while the lithium excess in TYC 2825-596-1 could be associated with either non-canonical mixing processes or He-flash.

preprint2020arXiv

On the Chemical and Kinematic Consistency Between N-rich Metal-poor Field Stars and Enriched Populations in Globular Clusters

Interesting chemically peculiar field stars may reflect their stellar evolution history and their possible origin in a different environment from where they are found now, which is one of the most important research fields in Galactic archaeology. To explore this further, we have used the CN-CH bands around 4000 A to identify N-rich metal-poor field stars in LAMOST DR3. Here we expand our N-rich metal-poor field star sample to ~100 stars in LAMOST DR5, where 53 of them are newly found in this work. We investigate light elements of the common stars between our sample and APOGEE DR14. While Mg, Al, and Si abundances generally agree with the hypothesis that N-rich metal-poor field stars come from enriched populations in globular clusters, it is still inconclusive for C, N, and O. After integrating the orbits of our N-rich field stars and a control sample of normal metal-poor field stars, we find that N-rich field stars have different orbital parameter distributions compared to the control sample, specifically, apocentric distances, maximum vertical amplitude (Zmax), orbital energy, and z direction angular momentum (Lz). The orbital parameters of N-rich field stars indicate that most of them are inner-halo stars. The kinematics of N-rich field stars support their possible GC origin. The spatial and velocity distributions of our bona fide N-rich field star sample are important observational evidence to constrain simulations of the origin of these interesting objects.

preprint2020arXiv

On the effectiveness of local vortex identification criteria in the compressed representation of wall-bounded turbulence

Compressing complex flows into a tangle of vortex filaments is the basic implication of the classical notion of the vortex representation. Various vortex identification criteria have been proposed to extract the vortex filaments from available velocity fields, which is an essential procedure in the practice of the vortex representation. This work focuses on the effectiveness of those identification criteria in the compressed representation of wall-bounded turbulence. Five local identification criteria regarding the vortex strength and three criteria for the vortex axis are considered. To facilitate the comparisons, this work first non-dimensionalize the criteria of the vortex strength based on their dimensions and root mean squares, with corresponding equivalent thresholds prescribed. The optimal definition for the vortex vector is discussed by trialling all the possible combinations of the identification criteria for the vortex strength and the vortex axis. The effectiveness of those criteria in the compressed representation is evaluated based on two principles: (1) efficient compression, which implies the less information required, the better for the representation; (2) accurate decompression, which stresses that the original velocity fields could be reconstructed based on the vortex representation in high accuracy. In practice, the alignment of the identified vortex axis and vortex isosurface, and the accuracy for decompressed velocity fields based on those criteria are quantitatively compared. The alignment degree is described by using the differential geometry method, and the decompressing process is implemented via the two-dimensional field-based linear stochastic estimation. The results of this work provide some reference for the applications of vortex identification criteria in wall-bounded turbulence.

preprint2020arXiv

Vortex-to-velocity reconstruction for wall-bounded turbulence via a data-driven model

Modelling the vortex structures and then translating them into the corresponding velocity fields are two essential aspects for the vortex-based modelling works in wall-bounded turbulence. This work develops a datadriven method, which allows an effective reconstruction for the velocity field based on a given vortex field. The vortex field is defined as a vector field by combining the swirl strength and the real eigenvector of the velocity gradient tensor. The distinctive properties for the vortex field are investigated, with the relationship between the vortex magnitude and orientation revealed by the differential geometry. The vortex-to-velocity reconstruction method incorporates the vortex-vortex and vortex-velocity correlation information and derives the inducing model functions under the framework of the linear stochastic estimation. Fast Fourier transformation is employed to improve the computation efficiency in implementation. The reconstruction accuracy is accessed and compared with the widely-used Biot-Savart law. Results show that the method can effectively recover the turbulent motions in a large scale range, which is very promising for the turbulence modelling. The method is also employed to investigate the inducing effects of vortices at different heights, and some revealing results are discussed and linked to the hot research topics in wall-bounded turbulence.

preprint2019arXiv

Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices

Currently available noisy intermediate-scale quantum (NISQ) devices are limited by the number of qubits that can be used for quantum chemistry calculations on molecules. We show herein that the number of qubits required for simulations on a quantum computer can be reduced by limiting the number of orbitals in the active space. Thus, we have utilized ansätze that approximate exact classical matrix eigenvalue decomposition methods (Full Configuration Interaction). Such methods are appropriate for computations with the Variational Quantum Eigensolver algorithm to perform computational investigations on the rearrangement of the lithium superoxide dimer with both quantum simulators and quantum devices. These results demonstrate that, even with a limited orbital active space, quantum simulators are capable of obtaining energy values that are similar to the exact ones. However, calculations on quantum hardware underestimate energies even after the application of readout error mitigation.

preprint2019arXiv

Lithium-rich Giants in LAMOST Survey. I. The Catalog

Standard stellar evolution model predicts a severe depletion of lithium (Li) abundance during the first dredge up process (FDU). Yet a small fraction of giant stars are still found to preserve a considerable amount of Li in their atmospheres after the FDU. Those giants are usually identified as Li-rich by a widely used criterion, A(Li) > 1.5 dex. A large number of works dedicated to searching for investigating this minority of the giant family, and the amount of Li-rich giants, has been largely expanded on, especially in the era of big data. In this paper, we present a catalog of Li-rich giants found from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) survey with Li abundances derived from a template-matching method developed for LAMOST low-resolution spectra.