arXiv subjects

Xiaoying Wang

Publications and source records attributed to Xiaoying Wang.

36 records · Page 2Linked to original sources

arXiv2024

An interpretable formula for lattice thermal conductivity of crystals

Lattice thermal conductivity (kL) is a crucial physical property of crystals with applications in thermal management, such as heat dissipation, insulation, and thermoelectric energy conversion. However, accurately and rapidly determining kL poses a considerable challenge. In this study, we introduce an formula that achieves high precision (mean relative error=8.97%) and provides fast predictions, taking less than one minute, for kL across a wide range of inorganic binary and ternary materials. Our interpretable, dimensionally aligned and physical grounded formula forecasts kL values for 4,601 binary and 6,995 ternary materials in the Materials Project database. Notably, we predict undiscovered high kL values for AlBN2 (kL=101 W/ m/ K) and the undetectedlow kL Cs2Se (kL=0.98 W/ m/ K) at room temperature. This method for determining kL streamlines the traditionally time-consuming process associated with complex phonon physics. It provides insights into microscopic heat transport and facilitates the design and screening of materials with targeted and extreme kL values through the application of phonon engineering. Our findings offer opportunities for controlling and optimizing macroscopic transport properties of materials by engineering their bulk modulus, shear modulus, and Gruneisen parameter.

cond-mat.mtrl-sci↗

arXiv2024

Bonding Hierarchy and Coordination Interaction Leading to High Thermoelectricity in Wide Bandgap TlAgI2

High thermoelectric properties are associated with the phonon-glass electron-crystal paradigm. Conventional wisdom suggests that the optimal bandgap of semiconductor to achieve the largest power factor should be between 6 and 10 kbT. To address challenges related to the bipolar effect and temperature limitations, we present findings on Zintl-type TlAgI2, which demonstrates an exceptionally low lattice thermal conductivity of 0.3 W m-1 K-1 at 300 K. The achieved figure of merit (ZT) for TlAgI2, featuring a 1.55 eV bandgap, reaches a value of 2.20 for p-type semiconductor. This remarkable ZT is attributed to the existence of extended antibonding states Ag-I in the valence band. Furthermore, the bonding hierarchy, influencing phonon anharmonicity, and coordination bonds, facilitating electron transfer between the ligand and the central metal ion, significantly contribute to electronic transport. This finding serves as a promising avenue for the development of high ZT materials with wide bandgaps at elevated temperatures.

cond-mat.mtrl-sci↗

arXiv2024

Machine learning for predicting ultralow thermal conductivity and high ZT in complex thermoelectric materials

Efficient and precise calculations of thermal transport properties and figure of merit, alongside a deep comprehension of thermal transport mechanisms, are essential for the practical utilization of advanced thermoelectric materials. In this study, we explore the microscopic processes governing thermal transport in the distinguished crystalline material Tl$_9$SbTe$_6$ by integrating a unified thermal transport theory with machine learning-assisted self-consistent phonon calculations. Leveraging machine learning potentials, we expedite the analysis of phonon energy shifts, higher-order scattering mechanisms, and thermal conductivity arising from various contributing factors like population and coherence channels. Our finding unveils an exceptionally low thermal conductivity of 0.31 W m$^{-1}$ K$^{-1}$ at room temperature, a result that closely correlates with experimental observations. Notably, we observe that the off-diagonal terms of heat flux operators play a significant role in shaping the overall lattice thermal conductivity of Tl$_9$SbTe$_6$, where the ultralow thermal conductivity resembles that of glass due to limited group velocities. Furthermore, we achieve a maximum $ZT$ value of 3.17 in the $c$-axis orientation for \textit{p}-type Tl$_9$SbTe$_6$ at 600 K, and an optimal $ZT$ value of 2.26 in the $a$-axis and $b$-axis direction for \textit{n}-type Tl$_9$SbTe$_6$ at 500 K. The crystalline Tl$_9$SbTe$_6$ not only showcases remarkable thermal insulation but also demonstrates impressive electrical properties owing to the dual-degeneracy phenomenon within its valence band. These results not only elucidate the underlying reasons for the exceptional thermoelectric performance of Tl$_9$SbTe$_6$ but also suggest potential avenues for further experimental exploration.

cond-mat.mtrl-sci↗

arXiv2024

Anomalous thermal conductivity in 2D silica nanocages of immobilizing noble gas atom

Noble gas atoms such as Kr and Xe are byproducts of nuclear fission in nuclear plants. How to trap and confine these volatile even radioactive gases is particularly challenging. Recent studies have shown that they can be trapped in nanocages of ultrathin silica. Here, we exhibit with self-consistent phonon theory and four-phonon (4ph) scattering where the adsorption of noble gases results in an anomalous increase in lattice thermal conductivity, while the presence of Cu atoms doping leads to a reduction in lattice thermal conductivity. We trace this behavior in host-guest 2D silica to an interplay of tensile strain, rattling phonon modes, and redistribution of electrons. We also find that 4ph scatterings play indispensable roles in the lattice thermal conductivity of 2D silica. Our work illustrates the microscopic heat transfer mechanism in 2D silica nanocages with the immobilization of noble gas atoms and inspires further exploring materials with the kagome and glasslike lattice thermal conductivity.

cond-mat.mtrl-sci↗

arXiv2024

ARFA: An Asymmetric Receptive Field Autoencoder Model for Spatiotemporal Prediction

Spatiotemporal prediction aims to generate future sequences by paradigms learned from historical contexts. It is essential in numerous domains, such as traffic flow prediction and weather forecasting. Recently, research in this field has been predominantly driven by deep neural networks based on autoencoder architectures. However, existing methods commonly adopt autoencoder architectures with identical receptive field sizes. To address this issue, we propose an Asymmetric Receptive Field Autoencoder (ARFA) model, which introduces corresponding sizes of receptive field modules tailored to the distinct functionalities of the encoder and decoder. In the encoder, we present a large kernel module for global spatiotemporal feature extraction. In the decoder, we develop a small kernel module for local spatiotemporal information reconstruction. Experimental results demonstrate that ARFA consistently achieves state-of-the-art performance on popular datasets. Additionally, we construct the RainBench, a large-scale radar echo dataset for precipitation prediction, to address the scarcity of meteorological data in the domain.

cs.CV↗

arXiv2023

Similarity Between Two Stochastic Differential Systems

The main focus of this paper is to explore how much similarity between two stochastic differential systems. Motivated by the conjugate theory of stochastic dynamic systems, we study the relationship between two systems by finding homeomorphic mappings $K$. Particularly, we use the minimizer $K^*$ to measure the degree of similarity. Under appropriate assumptions, we give sufficient and necessary conditions for the existence of the minimizer $K^*$. The former result can be regarded as a strong law of large numbers, while the latter is a stochastic maximum principle. Finally, we provide different examples of stochastic systems and an application to stochastic Hartman Grobman theorem. Thus, the results illustrate what is the similarity, extending the conjugacy in stochastic dynamical systems.

math.DS↗

arXiv2023

Similarity Between Two Dynamical Systems

The main focus of this paper is to explore how much similarity between two dynamical systems. Analogous to the classical Hartman-Grobman theorem, the relationship between two systems can be linked by a homeomorphic map $K$, and the core is to study the minimizer $K^*$ to measure the degree of similarity. We prove the sufficient conditions and necessary conditions (the maximum principle) for the existence of the minimizer $K^*$. Further, we establish similarity theorem based on the Takens embedding theorem. As applications, Lorenz system, Chua's circuit system and Chen's system are simulated and tested. The results illustrate what is the similarity, which extends the conjugacy in dynamical systems.

math.DS↗

arXiv2023

The role of high-order anharmonicity and off-diagonal terms in thermal conductivity: a case study of multi-phase CsPbBr3

We investigate the influence of three- and four-phonon scattering, perturbative anharmonic phonon renormalization, and off-diagonal terms of coherent phonons on the thermal conductivity of CsPbBr3 phase change perovskite, by using advanced implementations and first-principles simulations. Our study spans a wide temperature range covering the entire structural spectrum. Notably, we demonstrate that the interactions between acoustic and optical phonons result in contrasting trends of phonon frequency shifts for the high-lying optical phonons in orthorhombic and cubic CsPbBr3 as temperature varies. Our findings highlight the significance of wave-like tunneling of coherent phonons in ultralow and glass-like thermal conductivity in halide perovskites.

cond-mat.mtrl-sci↗

arXiv2023

Towards Simultaneous Segmentation of Liver Tumors and Intrahepatic Vessels via Cross-attention Mechanism

Accurate visualization of liver tumors and their surrounding blood vessels is essential for noninvasive diagnosis and prognosis prediction of tumors. In medical image segmentation, there is still a lack of in-depth research on the simultaneous segmentation of liver tumors and peritumoral blood vessels. To this end, we collect the first liver tumor, and vessel segmentation benchmark datasets containing 52 portal vein phase computed tomography images with liver, liver tumor, and vessel annotations. In this case, we propose a 3D U-shaped Cross-Attention Network (UCA-Net) that utilizes a tailored cross-attention mechanism instead of the traditional skip connection to effectively model the encoder and decoder feature. Specifically, the UCA-Net uses a channel-wise cross-attention module to reduce the semantic gap between encoder and decoder and a slice-wise cross-attention module to enhance the contextual semantic learning ability among distinct slices. Experimental results show that the proposed UCA-Net can accurately segment 3D medical images and achieve state-of-the-art performance on the liver tumor and intrahepatic vessel segmentation task.

eess.IV↗

arXiv2022

Studying the mixed transmission in a community with age heterogeneity: COVID-19 as a case study

COVID-19 has been prevalent worldwide for about 2 years now and has brought unprecedented challenges to our society. Before vaccines were available, the main disease intervention strategies were non-pharmaceutical. Starting December 2020, in Ontario, Canada, vaccines were approved for administering to vulnerable individuals and gradually expanded to all individuals above the age of 12. As the vaccine coverage reached a satisfactory level among the eligible population, normal social activities resumed and schools reopened starting September 2021. However, when schools reopen for in-person learning, children under the age of 12 are unvaccinated and are at higher risks of contracting the virus. We propose an age-stratified model based on the age and vaccine eligibility of the individuals. We fit our model to the data in Ontario, Canada and obtain a good fitting result. The results show that a relaxed between-group contact rate may trigger future epidemic waves more easily than an increased within-group contact rate. An increasing mixed contact rate of the older group quickly amplifies the daily incidence numbers for both groups whereas an increasing mixed contact rate of the younger group mainly leads to future waves in the younger group alone. The results indicate the importance of accelerating vaccine rollout for younger individuals in mitigating disease spread.

math.DS↗

arXiv2021

Are We Ready For Learned Cardinality Estimation?

Cardinality estimation is a fundamental but long unresolved problem in query optimization. Recently, multiple papers from different research groups consistently report that learned models have the potential to replace existing cardinality estimators. In this paper, we ask a forward-thinking question: Are we ready to deploy these learned cardinality models in production? Our study consists of three main parts. Firstly, we focus on the static environment (i.e., no data updates) and compare five new learned methods with eight traditional methods on four real-world datasets under a unified workload setting. The results show that learned models are indeed more accurate than traditional methods, but they often suffer from high training and inference costs. Secondly, we explore whether these learned models are ready for dynamic environments (i.e., frequent data updates). We find that they cannot catch up with fast data up-dates and return large errors for different reasons. For less frequent updates, they can perform better but there is no clear winner among themselves. Thirdly, we take a deeper look into learned models and explore when they may go wrong. Our results show that the performance of learned methods can be greatly affected by the changes in correlation, skewness, or domain size. More importantly, their behaviors are much harder to interpret and often unpredictable. Based on these findings, we identify two promising research directions (control the cost of learned models and make learned models trustworthy) and suggest a number of research opportunities. We hope that our study can guide researchers and practitioners to work together to eventually push learned cardinality estimators into real database systems.

cs.DB↗

arXiv2018

Griffiths phase and symmetry breaking in the hidden-order phase of URu2Si2

The heavy-fermion compound URu2Si2 exhibits a hidden-order phase below the temperature, ~ 17.5 K. In spite of intense research for past three decades, no consensus on the order parameter exists and the nature has posed a long-standing mystery. Here we report the discovery of a Griffiths phase within the hidden-order phase, characterized by residual short-range correlations on the collapse of long-range orders due to the dilution effects. In the Griffiths phase scenario, strong evidence are provided for those cluster-like spins, such as the unique power-law behavior of magnetic susceptibility and specific heat as well as the frequency dispersion of AC susceptibility. In this way, the existence of an order parameter is excluded, and the hidden order has a significant kinship with the long-range large-moment antiferromagnetism which is accessible by tuning the hydrostatic pressure or the chemical pressure (i.e., isoelectronic Fe doping). Moreover, an unidirectional anisotropy of resistivity measurements in rotating magnetic fields is observed in the hidden-order phase. The anisotropic magnetoresistance and the associated broken symmetries directly reflect the freezing behavior of at least part of magnetic clusters. Thus, the demonstrations of the Griffiths phase as an alternative proposal for the hidden-order phase of URu2Si2 are very promising, challenging the understanding of exotic electronic states in correlated matter and quantum materials.

cond-mat.str-el↗

arXiv2017

Cloud Computing - Architecture and Applications

In the era of Internet of Things and with the explosive worldwide growth of electronic data volume, and associated need of processing, analysis, and storage of such humongous volume of data, it has now become mandatory to exploit the power of massively parallel architecture for fast computation. Cloud computing provides a cheap source of such computing framework for large volume of data for real-time applications. It is, therefore, not surprising to see that cloud computing has become a buzzword in the computing fraternity over the last decade. This book presents some critical applications in cloud frameworks along with some innovation design of algorithms and architecture for deployment in cloud environment. It is a valuable source of knowledge for researchers, engineers, practitioners, and graduate and doctoral students working in the field of cloud computing. It will also be useful for faculty members of graduate schools and universities.

cs.DC↗

arXiv2017

Statistical Information Fusion for Multiple-View Sensor Data in Multi-Object Tracking

This paper presents a novel statistical information fusion method to integrate multiple-view sensor data in multi-object tracking applications. The proposed method overcomes the drawbacks of the commonly used Generalized Covariance Intersection method, which considers constant weights allocated for sensors. Our method is based on enhancing the Generalized Covariance Intersection with adaptive weights that are automatically tuned based on the amount of information carried by the measurements from each sensor. To quantify information content, Cauchy-Schwarz divergence is used. Another distinguished characteristic of our method lies in the usage of the Labeled Multi-Bernoulli filter for multi-object tracking, in which the weight of each sensor can be separately adapted for each Bernoulli component of the filter. The results of numerical experiments show that our proposed method can successfully integrate information provided by multiple sensors with different fields of view. In such scenarios, our method significantly outperforms the state of art in terms of inclusion of all existing objects and tracking accuracy.

eess.SY↗

arXiv2017

Multi-Sensor Control for Multi-Object Bayes Filters

Sensor management in multi-object stochastic systems is a theoretically and computationally challenging problem. This paper presents a novel approach to the multi-target multi-sensor control problem within the partially observed Markov decision process (POMDP) framework. We model the multi-object state as a labeled multi-Bernoulli random finite set (RFS), and use the labeled multi-Bernoulli filter in conjunction with minimizing a task-driven control objective function: posterior expected error of cardinality and state (PEECS). A major contribution is a guided search for multi-dimensional optimization in the multi-sensor control command space, using coordinate descent method. In conjunction with the Generalized Covariance Intersection method for multi-sensor fusion, a fast multi-sensor algorithm is achieved. Numerical studies are presented in several scenarios where numerous controllable (mobile) sensors track multiple moving targets with different levels of observability. The results show that our method works significantly faster than the approach taken by a state of art method, with similar tracking errors.

eess.SY↗

arXiv2010

Functional CLT for sample covariance matrices

Using Bernstein polynomial approximations, we prove the central limit theorem for linear spectral statistics of sample covariance matrices, indexed by a set of functions with continuous fourth order derivatives on an open interval including $[(1-\sqrt{y})^2,(1+\sqrt{y})^2]$, the support of the Marucenko--Pastur law. We also derive the explicit expressions for asymptotic mean and covariance functions.

math.ST↗

arXiv2010

Bivariate Quasi-Tower Sets and Their Associated Lagrange Interpolation Bases

As we all known, there is still a long way for us to solve arbitrary multivariate Lagrange interpolation in theory. Nevertheless, it is well accepted that theories about Lagrange interpolation on special point sets should cast important lights on the general solution. In this paper, we propose a new type of bivariate point sets, quasi-tower sets, whose geometry is more natural than some known point sets such as cartesian sets and tower sets. For bivariate Lagrange interpolation on quasi-tower sets, we construct the associated degree reducing interpolation monomial and Newton bases w.r.t. common monomial orderings theoretically. Moreover, by inputting these bases into Buchberger-Möller algorithm, we obtain the reduced Gröbner bases for vanishing ideals of quasi-tower sets much more efficiently than before.

math.AC↗

arXiv2010

A Bivariate Preprocessing Paradigm for Buchberger-Möller Algorithm

For the last almost three decades, since the famous Buchberger-Möller(BM) algorithm emerged, there has been wide interest in vanishing ideals of points and associated interpolation polynomials. Our paradigm is based on the theory of bivariate polynomial interpolation on cartesian point sets that gives us related degree reducing interpolation monomial and Newton bases directly. Since the bases are involved in the computation process as well as contained in the final output of BM algorithm, our paradigm obviously simplifies the computation and accelerates the BM process. The experiments show that the paradigm is best suited for the computation over finite prime fields that have many applications.

math.AC↗