arXiv subjects

Zhen Li

Publications and source records attributed to Zhen Li.

At least 451 records · Page 25Linked to original sources

arXiv2019

Note on Thompson sampling for large decision problems

There is increasing interest in using streaming data to inform decision making across a wide range of application domains including mobile health, food safety, security, and resource management. A decision support system formalizes online decision making as a map from up-to-date information to a recommended decision. Online estimation of an optimal decision strategy from streaming data requires simultaneous estimation of components of the underlying system dynamics as well as the optimal decision strategy given these dynamics; thus, there is an inherent trade-off between choosing decisions that lead to improved estimates and choosing decisions that appear to be optimal based on current estimates. Thompson (1933) was among the first to formalize this trade-off in the context of choosing between two treatments for a stream of patients; he proposed a simple heuristic wherein a treatment is selected randomly at each time point with selection probability proportional to the posterior probability that it is optimal. We consider a variant of Thompson sampling that is simple to implement and can be applied to large and complex decision problems. We show that the proposed Thompson sampling estimator is consistent for the optimal decision support system and provide rates of convergence and finite sample error bounds. The proposed algorithm is illustrated using an agent-based model of the spread of influenza on a network and management of mallard populations in the United States.

stat.ME↗

arXiv2019

Supervised parallel-in-time algorithm for long-time Lagrangian simulations of stochastic dynamics: Application to hydrodynamics

Lagrangian particle methods based on detailed atomic and molecular models are powerful computational tools for studying the dynamics of microscale and nanoscale systems. However, the maximum time step is limited by the smallest oscillation period of the fastest atomic motion, rendering long-time simulations very expensive. To resolve this bottleneck, we propose a supervised parallel-in-time algorithm for stochastic dynamics (SPASD) to accelerate long-time Lagrangian particle simulations. Our method is inspired by bottom-up coarse-graining projections that yield mean-field hydrodynamic behavior in the continuum limit. Here as an example, we use the dissipative particle dynamics (DPD) as the Lagrangian particle simulator that is supervised by its macroscopic counterpart, i.e., the Navier-Stokes simulator. The low-dimensional macroscopic system (here, the Navier-Stokes solver) serves as a predictor to supervise the high-dimensional Lagrangian simulator, in a predictor-corrector type algorithm. The results of the Lagrangian simulation then correct the mean-field prediction and provide the proper microscopic details (e.g., consistent fluctuations, correlations, etc.). The unique feature that sets SPASD apart from other multiscale methods is the use of a low-fidelity macroscopic model as a predictor. The macro-model can be approximate and even inconsistent with the microscale description, but SPASD anticipates the deviation and corrects it internally to recover the true dynamics.

physics.comp-ph↗

arXiv2019

A GPU-accelerated package for simulation of flow in nanoporous source rocks with many-body dissipative particle dynamics

Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and fluid-solid interactions in nano- to micro-scale shale pores, which are physically and chemically sophisticated, must be captured. To address those challenges, we present a GPU-accelerated package for simulation of flow in nano- to micro-pore networks with a many-body dissipative particle dynamics (mDPD) mesoscale model. Based on a fully distributed parallel paradigm, the code offloads all intensive workloads on GPUs. Other advancements, such as smart particle packing and no-slip boundary condition in complex pore geometries, are also implemented for the construction and the simulation of the realistic shale pores from 3D nanometer-resolution stack images. Our code is validated for accuracy and compared against the CPU counterpart for speedup. In our benchmark tests, the code delivers nearly perfect strong scaling and weak scaling (with up to 512 million particles) on up to 512 K20X GPUs on Oak Ridge National Laboratory's (ORNL) Titan supercomputer. Moreover, a single-GPU benchmark on ORNL's SummitDev and IBM's AC922 suggests that the host-to-device NVLink can boost performance over PCIe by a remarkable 40\%. Lastly, we demonstrate, through a flow simulation in realistic shale pores, that the CPU counterpart requires 840 Power9 cores to rival the performance delivered by our package with four V100 GPUs on ORNL's Summit architecture. This simulation package enables quick-turnaround and high-throughput mesoscopic numerical simulations for investigating complex flow phenomena in nano- to micro-porous rocks with realistic pore geometries.

physics.comp-ph↗

arXiv2019

Complementarity between micro-micro and micro-macro entanglement in a Bose-Einstein condensate with two Rydberg impurities

We theoretically study complementarity between micro-micro and micro-macro entanglement in a Bose-Einstein condensate with two Rydberg impurities. We investigate quantum dynamics of micro-micro and micro-macro entanglement in the micro-macro system. It is found that strong micro-macro entanglement between Rydberg impurities and the BEC can be generated by the use of initial micro-micro entanglement between two Rydberg impurities, which acts as the seed entanglement to create micro-macro entanglement. We demonstrate a curious complementarity relation between micro-micro and micro-macro entanglement, and find that the complementarity property can be sustained to some extend even though in the presence of the BEC decoherence.

quant-ph↗

arXiv2019

Graph-RISE: Graph-Regularized Image Semantic Embedding

Learning image representations to capture fine-grained semantics has been a challenging and important task enabling many applications such as image search and clustering. In this paper, we present Graph-Regularized Image Semantic Embedding (Graph-RISE), a large-scale neural graph learning framework that allows us to train embeddings to discriminate an unprecedented O(40M) ultra-fine-grained semantic labels. Graph-RISE outperforms state-of-the-art image embedding algorithms on several evaluation tasks, including image classification and triplet ranking. We provide case studies to demonstrate that, qualitatively, image retrieval based on Graph-RISE effectively captures semantics and, compared to the state-of-the-art, differentiates nuances at levels that are closer to human-perception.

cs.CV↗

arXiv2019

Cryogenic Characerization and Modeling of Standard CMOS down to Liquid Helium Temperature for Quantum Computing

Cryogenic characterization and modeling of 0.18um CMOS technology (1.8V and 5V) are presented in this paper. Several PMOS and NMOS transistors with different width to length ratios(W/L) were extensively characterized under various bias conditions at temperatures ranging from 300K down to 4.2K. We extracted their fundamental physical parameters and developed a compact model based on BSIM3V3. In addition to their I-V characteristics, threshold voltage(Vth) values, on/off current ratio, transconductance of the MOS transistors, and resistors on chips are measured at temperatures from 300K down to 4.2K. A simple subcircuit was built to correct the kink effect. This work provides experimental evidence for implementation of cryogenic CMOS technology, a valid industrial tape-out process model, and romotes the application of integrated circuits in cryogenic environments, including quantum measurement and control systems for quantum chips at very low temperatures.

physics.app-ph↗

arXiv2018

Characterization and Modeling of 0.18μm CMOS Technology at sub-Kelvin Temperature

Previous cryogenic electronics studies are most above 4.2K. In this paper we present the cryogenic characterization of a 0.18μm standard bulk CMOS technology(1.8V and 5V) at sub-kelvin temperature around 270mK. PMOS and NMOS devices with different width to length ratios(W/L) are tested and characterized under various bias conditions at temperatures from 300K to 270mK. It is shown that the 0.18μm standard bulk CMOS technology is still working at sub-kelvin temperature. The kink effect and current overshoot phenomenon are observed at sub-kelvin temperature. Especially, current overshoot phenomenon in PMOS devices at sub-kelvin temperature is shown for the first time. The transfer characteristics of large and thin-oxide devices at sub-kelvin temperature are modeled using the simplified EKV model. This work facilitates the CMOS circuits design and the integration of CMOS circuits with silicon-based quantum chips at extremely low temperatures.

physics.app-ph↗

arXiv2018

UFANS: U-shaped Fully-Parallel Acoustic Neural Structure For Statistical Parametric Speech Synthesis With 20X Faster

Neural networks with Auto-regressive structures, such as Recurrent Neural Networks (RNNs), have become the most appealing structures for acoustic modeling of parametric text to speech synthesis (TTS) in ecent studies. Despite the prominent capacity to capture long-term dependency, these models consist of massive sequential computations that cannot be fully parallel. In this paper, we propose a U-shaped Fully-parallel Acoustic Neural Structure (UFANS), which is a deconvolutional alternative of RNNs for Statistical Parametric Speech Synthesis (SPSS). The experiments verify that our proposed model is over 20 times faster than RNN based acoustic model, both training and inference on GPU with comparable speech quality. Furthermore, We also investigate that how long information dependence really matters to synthesized speech quality.

cs.SD↗

arXiv2018

MOSFET Characterization and Modeling at Cryogenic Temperatures

Cryogenic CMOS technology (cryo-CMOS) offers a scalable solution for quantum device interface fabrication. Several previous works have studied the characterization of CMOS technology at cryogenic temperatures for various process nodes. However, CMOS characteristics for various width/length (W/L) ratios and under different bias conditions still require further research. In addition, no previous works have produced an integrated modeling process for cryo-CMOS technology. In this paper, the results of characterization of Semiconductor Manufacturing International Corporation (SMIC) 0.18 μm CMOS technology at cryogenic temperatures (varying from 300 K to 4.2 K) are presented. Measurements of thin- and thick-oxide NMOS and PMOS devices with different W/L ratios are taken under four distinct bias conditions and at different temperatures. The temperature-dependent parameters are revised and an advanced CMOS model is proposed based on BSIM3v3 at the liquid nitrogen temperature (LNT). The proposed model ensures precision at the LNT and is valid for use in an industrial tape-out process. The proposed method presents a calibration approach for BSIM3v3 that is available at different temperature intervals.

physics.app-ph↗

arXiv2018

Thompson Sampling for Pursuit-Evasion Problems

Pursuit-evasion is a multi-agent sequential decision problem wherein a group of agents known as pursuers coordinate their traversal of a spatial domain to locate an agent trying to evade them. Pursuit evasion problems arise in a number of import application domains including defense and route planning. Learning to optimally coordinate pursuer behaviors so as to minimize time to capture of the evader is challenging because of a large action space and sparse noisy state information; consequently, previous approaches have relied primarily on heuristics. We propose a variant of Thompson Sampling for pursuit-evasion that allows for the application of existing model-based planning algorithms. This approach is general in that it allows for an arbitrary number of pursuers, a general spatial domain, and the integration of auxiliary information provided by informants. In a suite of simulation experiments, Thompson Sampling for pursuit evasion significantly reduces time-to-capture relative to competing algorithms.

cs.LG↗

arXiv2018

Self-cleaning of hydrophobic rough surfaces by coalescence-induced wetting transition

The superhydrophobic leaves of a lotus plant and other natural surfaces with self-cleaning function have been studied intensively for the development of artificial biomimetic surfaces. Surface roughness generated by hierarchical structures is a crucial property required for superhydrophobicity and self-cleaning. Here, we demonstrate a novel self-cleaning mechanism of textured surfaces attributed to a spontaneous coalescence-induced wetting transition. We focus on the wetting transition as it represents a new mechanism, which can explain why droplets on rough surfaces are able to change from the highly adhesive Wenzel state to the low-adhesion Cassie-Baxter state and achieve self-cleaning. In particular, we perform many-body dissipative particle dynamics simulations of liquid droplets sitting on mechanically textured substrates. We quantitatively investigate the wetting behavior of an isolated droplet as well as coalescence of droplets for both Cassie-Baxter and Wenzel states. Our simulation results reveal that droplets in the Cassie-Baxter state have much lower contact angle hysteresis and smaller hydrodynamic resistance than droplets in the Wenzel state. When small neighboring droplets coalesce into bigger ones on textured hydrophobic substrates, we observe a spontaneous wetting transition from a Wenzel state to a Cassie-Baxter state, which is powered by the surface energy released upon coalescence of the droplets. For superhydrophobic surfaces, the released surface energy may be sufficient to cause a jumping motion of droplets off the surface, in which case adding one more droplet to coalescence may increase the jumping velocity by one order of magnitude. When multiple droplets are involved, we find that the spatial distribution of liquid components in the coalesced droplet can be controlled by properly designing the overall arrangement of droplets and the distance between them.

physics.comp-ph↗

arXiv2018

Nonlocal flocking dynamics: Learning the fractional order of PDEs from particle simulations

Flocking refers to collective behavior of a large number of interacting entities, where the interactions between discrete individuals produce collective motion on the large scale. We employ an agent-based model to describe the microscopic dynamics of each individual in a flock, and use a fractional PDE to model the evolution of macroscopic quantities of interest. The macroscopic models with phenomenological interaction functions are derived by applying the continuum hypothesis to the microscopic model. Instead of specifying the fPDEs with an ad hoc fractional order for nonlocal flocking dynamics, we learn the effective nonlocal influence function in fPDEs directly from particle trajectories generated by the agent-based simulations. We demonstrate how the learning framework is used to connect the discrete agent-based model to the continuum fPDEs in 1D and 2D nonlocal flocking dynamics. In particular, a Cucker-Smale particle model is employed to describe the microscale dynamics of each individual, while Euler equations with nonlocal interaction terms are used to compute the evolution of macroscale quantities. The trajectories generated by the particle simulations mimic the field data of tracking logs that can be obtained experimentally. They can be used to learn the fractional order of the influence function using a Gaussian process regression model implemented with the Bayesian optimization. We show that the numerical solution of the learned Euler equations solved by the finite volume scheme can yield correct density distributions consistent with the collective behavior of the agent-based system. The proposed method offers new insights on how to scale the discrete agent-based models to the continuum-based PDE models, and could serve as a paradigm on extracting effective governing equations for nonlocal flocking dynamics directly from particle trajectories.

math.NA↗

arXiv2018

Concurrent coupling of atomistic simulation and mesoscopic hydrodynamics for flows over soft multi-functional surfaces

We develop an efficient parallel multiscale method that bridges the atomistic and mesoscale regimes, from nanometer to micron and beyond, via concurrent coupling of atomistic simulation and mesoscopic dynamics. In particular, we combine an all-atom molecular dynamics (MD) description for specific atomistic details in the vicinity of the functional surface, with a dissipative particle dynamics (DPD) approach that captures mesoscopic hydrodynamics in the domain away from the functional surface. In order to achieve a seamless transition in dynamic properties we endow the MD simulation with a DPD thermostat, which is validated against experimental results by modeling water at different temperatures. We then validate the MD-DPD coupling method for transient Couette and Poiseuille flows, demonstrating that the concurrent MD-DPD coupling can resolve accurately the continuum-based analytical solutions. Subsequently, we simulate shear flows over polydimethylsiloxane (PDMS)-grafted surfaces (polymer brushes) for various grafting densities, and investigate the slip flow as a function of the shear stress. We verify that a "universal" power law exists for the sliplength, in agreement with published results. Having validated the MD-DPD coupling method, we simulate time-dependent flows past an endothelial glycocalyx layer (EGL) in a microchannel. Coupled simulation results elucidate the dynamics of EGL changing from an equilibrium state to a compressed state under shear by aligning the molecular structures along the shear direction. MD-DPD simulation results agree well with results of a single MD simulation, but with the former more than two orders of magnitude faster than the latter for system sizes above one micron.

physics.comp-ph↗

arXiv2018

Multivariate Density Estimation with Missing Data

Multivariate density estimation is a popular technique in statistics with wide applications including regression models allowing for heteroskedasticity in conditional variances. The estimation problems become more challenging when observations are missing in one or more variables of the multivariate vector. A flexible class of mixture of tensor products of kernel densities is proposed which allows for easy implementation of imputation methods using Gibbs sampling and shown to have superior performance compared to some of the exisiting imputation methods currently available in literature. Numerical illustrations are provided using several simulated data scenarios and applications to couple of case studies are also presented.

stat.ME↗

arXiv2018

Enhancing the magnetoelectric coupling of Co4Nb2O9[100] by substitution of Mg for Co

We report experimental studies on enhancing the magnetoelectric (ME) coupling of Co$_4$Nb$_2$O$_9$ by substitution of non-magnetic metal Mg for Co. A series of single crystal Co$_{4-x}$Mg$_x$Nb$_2$O$_9$ (x=0, 1, 2, 3) with a single-phase corundum-type structure are synthesized by the optical floating zone method, and the good quality and crystallographic orientations of the synthesized samples are confirmed by Laue spots and sharp XRD peaks. Although the Neel temperature ($T_N$) of the Mg substituted crystals are slightly decreased from 27 K for pure Co$_4$Nb$_2$O$_9$ to 19 K and 11 K for Co$_3$MgNb$_2$O$_9$ and Co$_2$Mg$_2$Nb$_2$O$_9$, respectively, the ME coupling is double enhanced by Mg substitution when x=1. For the magnetic field (electric field) control of electric polarization (magnetization), the ME coefficient $α_{ME}$ of Co$_3$MgNb$_2$O$_9$ is measured to be 12.8 ps/m (13.7 ps/m). These results indicate that the Mg substituted Co$_{4-x}$Mg$_x$Nb$_2$O$_9$ (x=1) could serve as a potential material candidate for applications in future logic spintronics and logic devices.

cond-mat.mtrl-sci↗

arXiv2018

Nature of Intrinsic Uncertainties in Equilibrium Molecular Dynamics Estimation of Shear Viscosity for Simple and Complex Fluids

We study two types of intrinsic uncertainties, statistical errors and system size effects, in estimating shear viscosity via equilibrium molecular dynamics simulations and compare them with the corresponding uncertainties in evaluating the self-diffusion coefficient. Uncertainty quantification formulas for the statistical errors in the shear-stress autocorrelation function and shear viscosity are obtained under the assumption that shear stress follows a Gaussian process. Analyses of simulation results for simple and complex fluids reveal that the Gaussianity is more pronounced in the shear-stress process (related to shear viscosity estimation) compared with the velocity process of an individual molecule (related to self-diffusion coefficient). At relatively high densities corresponding to a liquid state, we observe that the shear viscosity exhibits complex size-dependent behavior unless the system is larger than a certain length scale, beyond which reliable shear viscosity values are obtained without any noticeable scaling behavior with respect to the system size. We verify that this size-dependent behavior is configurational and relate the characteristic length scale to the shear-stress correlation length.

physics.chem-ph↗

arXiv2018

Deep Neural Nets with Interpolating Function as Output Activation

We replace the output layer of deep neural nets, typically the softmax function, by a novel interpolating function. And we propose end-to-end training and testing algorithms for this new architecture. Compared to classical neural nets with softmax function as output activation, the surrogate with interpolating function as output activation combines advantages of both deep and manifold learning. The new framework demonstrates the following major advantages: First, it is better applicable to the case with insufficient training data. Second, it significantly improves the generalization accuracy on a wide variety of networks. The algorithm is implemented in PyTorch, and code will be made publicly available.

cs.LG↗

arXiv2018

Exploring the Accuracy of MIRT Scale Linking Procedures for Mixed-format Tests

This study investigates the accuracy of Stocking-Lord scale linking procedures for UIRT and MIRT models with common-item nonequivalent-group design for mixed-format tests under two anchor conditions: MC-Only and MC-CR across three different levels of format effects (FEs). Results provide recommendations on the appropriateness of UIRT and two MIRT models when FEs present under each anchor scenario.

stat.ME↗