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Jian-Guo Liu

Publications and source records attributed to Jian-Guo Liu.

At least 55 records · Page 3Linked to original sources

A Random Batch Method for Efficient Ensemble Forecasts of Multiscale Turbulent Systems

A new efficient ensemble prediction strategy is developed for a general turbulent model framework with emphasis on the nonlinear interactions between large and small scale variables. The high computational cost in running large ensemble simulations of high dimensional equations is effectively avoided by adopting a random batch decomposition of the wide spectrum of the fluctuation states which is a characteristic feature of the multiscale turbulent systems. The time update of each ensemble sample is then only subject to a small portion of the small-scale fluctuation modes in one batch, while the true model dynamics with multiscale coupling is respected by frequent random resampling of the batches at each time updating step. We investigate both theoretical and numerical properties of the proposed method. First, the convergence of statistical errors in the random batch model approximation is shown rigorously independent of the sample size and full dimension of the system. Then, the forecast skill of the computational algorithm is tested on two representative models of turbulent flows exhibiting many key statistical phenomena with direct link to realistic turbulent systems. The random batch method displays robust performance in capturing a series of crucial statistical features of general interests including highly non-Gaussian fat-tailed probability distributions and intermittent bursts of instability, while requires a much lower computational cost than the direct ensemble approach. The efficient random batch method also facilitates the development of new strategies in uncertainty quantification and data assimilation for a wide variety of complex turbulent systems in science and engineering.

physics.flu-dyn↗

Data-driven Efficient Solvers for Langevin Dynamics on Manifold in High Dimensions

We study the Langevin dynamics of a physical system with manifold structure $\mathcal{M}\subset\mathbb{R}^p$ based on collected sample points $\{\mathsf{x}_i\}_{i=1}^n \subset \mathcal{M}$ that probe the unknown manifold $\mathcal{M}$. Through the diffusion map, we first learn the reaction coordinates $\{\mathsf{y}_i\}_{i=1}^n\subset \mathcal{N}$ corresponding to $\{\mathsf{x}_i\}_{i=1}^n$, where $\mathcal{N}$ is a manifold diffeomorphic to $\mathcal{M}$ and isometrically embedded in $\mathbb{R}^\ell$ with $\ell \ll p$. The induced Langevin dynamics on $\mathcal{N}$ in terms of the reaction coordinates captures the slow time scale dynamics such as conformational changes in biochemical reactions. To construct an efficient and stable approximation for the Langevin dynamics on $\mathcal{N}$, we leverage the corresponding Fokker-Planck equation on the manifold $\mathcal{N}$ in terms of the reaction coordinates $\mathsf{y}$. We propose an implementable, unconditionally stable, data-driven finite volume scheme for this Fokker-Planck equation, which automatically incorporates the manifold structure of $\mathcal{N}$. Furthermore, we provide a weighted $L^2$ convergence analysis of the finite volume scheme to the Fokker-Planck equation on $\mathcal{N}$. The proposed finite volume scheme leads to a Markov chain on $\{\mathsf{y}_i\}_{i=1}^n$ with an approximated transition probability and jump rate between the nearest neighbor points. After an unconditionally stable explicit time discretization, the data-driven finite volume scheme gives an approximated Markov process for the Langevin dynamics on $\mathcal{N}$ and the approximated Markov process enjoys detailed balance, ergodicity, and other good properties.

math.NA↗

Revisit of macroscopic dynamics for some non-equilibrium chemical reactions from a Hamiltonian viewpoint

Most biochemical reactions in living cells are open systems interacting with environment through chemostats to exchange both energy and materials. At a mesoscopic scale, the number of each species in those biochemical reactions can be modeled by a random time-changed Poisson processes. To characterize macroscopic behaviors in the large volume limit, the law of large numbers in the path space determines a mean-field limit nonlinear reaction rate equation describing the dynamics of the concentration of species, while the WKB expansion for the chemical master equation yields a Hamilton-Jacobi equation (HJE) and the Lagrangian gives the good rate function in the large deviation principle. We decompose a general macroscopic reaction rate equation into a conservative part and a dissipative part in terms of the stationary solution to HJE. This stationary solution is used to determine the energy landscape and thermodynamics for general chemical reactions, which particularly maintains a positive entropy production rate at a non-equilibrium steady state. The associated energy dissipation law is proved together with the passage from the mesoscopic to macroscopic one. Furthermore, we use a reversible Hamiltonian to study a class of non-equilibrium enzyme reactions, which identifies a new concept of balance within the same reaction vector due to flux grouping degeneracy. This macroscopic reversibility, brought by the reversibility of the chemical reaction jumping process, gives an Onsager-type strong gradient flow. The reversible Hamiltonian also yields a time reversal symmetry for the corresponding Lagrangian. Thus a modified time reversed least action path serves as the transition paths with associated path affinities and energy barriers.

math.OC↗

Homogenization of the Landau-Lifshitz-Gilbert equation with natural boundary condition

The full Landau-Lifshitz-Gilbert equation with periodic material coefficients and natural boundary condition is employed to model the magnetization dynamics in composite ferromagnets. In this work, we establish the convergence between the homogenized solution and the original solution via a Lax equivalence theorem kind of argument. There are a few technical difficulties, including: 1) it is proven the classic choice of corrector to homogenization cannot provide the convergence result in the $H^1$ norm; 2) a boundary layer is induced due to the natural boundary condition; 3) the presence of stray field give rise to a multiscale potential problem. To keep the convergence rates near the boundary, we introduce the Neumann corrector with a high-order modification. Estimates on singular integral for disturbed functions and boundary layer are deduced, to conduct consistency analysis of stray field. Furthermore, inspired by length conservation of magnetization, we choose proper correctors in specific geometric space. These, together with a uniform $W^{1,6}$ estimate on original solution, provide the convergence rates in the $H^1$ sense.

math.AP↗

Rank the spreading influence of nodes using dynamic Markov process

Ranking the spreading influence of nodes is of great importance in practice and research. The key to ranking a node's spreading ability is to evaluate the fraction of susceptible nodes been infected by the target node during the outbreak, i.e., the outbreak size. In this paper, we present a dynamic Markov process (DMP) method by integrating the Markov chain and the spreading process to evaluate the outbreak size of the initial spreader. Following the idea of the Markov process, this method solves the problem of nonlinear coupling by adjusting the state transition matrix and evaluating the probability of the susceptible node being infected by its infected neighbours. We have employed the susceptible-infected-recovered (SIR) and susceptible-infected-susceptible (SIS) models to test this method on real-world static and temporal networks. Our results indicate that the DMP method could evaluate the nodes' outbreak sizes more accurately than previous methods for both single and multi-spreaders. Besides, it can also be employed to rank the influence of nodes accurately during the spreading process.

physics.soc-ph↗

Some random batch particle methods for the Poisson-Nernst-Planck and Poisson-Boltzmann equations

We consider in this paper random batch interacting particle methods for solving the Poisson-Nernst-Planck (PNP) equations, and thus the Poisson-Boltzmann (PB) equation as the equilibrium, in the external unbounded domain. To justify the simulation in a truncated domain, an error estimate of the truncation is proved in the symmetric cases for the PB equation. Then, the random batch interacting particle methods are introduced which are $O(N)$ per time step. The particle methods can not only be considered as a numerical method for solving the PNP and PB equations, but also can be used as a direct simulation approach for the dynamics of the charged particles in solution. The particle methods are preferable due to their simplicity and adaptivity to complicated geometry, and may be interesting in describing the dynamics of the physical process. Moreover, it is feasible to incorporate more physical effects and interactions in the particle methods and to describe phenomena beyond the scope of the mean-field equations.

math.NA↗

Convergence of Oja's online principal component flow

Online principal component analysis (PCA) has been an efficient tool in practice to reduce dimension. However, convergence properties of the corresponding ODE are still unknown, including global convergence, stable manifolds, and convergence rate. In this paper, we focus on the stochastic gradient ascent (SGA) method proposed by Oja. By regarding the corresponding ODE as a Landau-Lifshitz-Gilbert (LLG) equation on the Stiefel manifold, we proved global convergence of the ODE. Moreover, we developed a new technique to determine stable manifolds. This technique analyzes the rank of the initial datum. Using this technique, we derived the explicit expression of the stable manifolds. As a consequence, exponential convergence to stable equilibrium points was also proved. The success of this new technique should be attributed to the semi-decoupling property of the SGA method: iteration of previous components does not depend on that of later ones. As far as we know, our result is the first complete one on the convergence of an online PCA flow, providing global convergence, explicit characterization of stable manifolds, and closed formula of exponential convergence depending on the spectrum gap.

math.CA↗

On the equilibrium of the Poisson-Nernst-Planck-Bikermann model equipping with the steric and correlation effects

The Poisson-Nernst-Planck-Bikermann (PNPB) model, in which the ions and water molecules are treated as different species with non-uniform sizes and valences with interstitial voids, can describe the steric and correlation effects in ionic solution neglected by the Poisson-Nernst-Planck and Poisson-Boltzmann theories with point charge assumption. In the PNPB model, the electric potential is governed by the fourth-order Poisson-Bikermann (4PBik) equation instead of the Poisson equation so that it can describe the correlation effect. What's more, the steric potential is included in the ionic and water fluxes as well as the equilibrium Fermi-like distributions which characterizes the steric effect quantitatively. In this work, after doing a nondimensionalization step, we analyze the self-adjointness and the kernel of the fourth-order operator of the 4PBik equation. Also, we show the positivity of the void volume function and the convexity of the free energy. Following these properties, the well-posedness of the PNPB model in equilibrium is given. Furthermore, because the PNPB model has an energy dissipated structure, we adopt a finite volume scheme which preserves the energy dissipated property at the semi-discrete level. After that, various numerical investigations are given to show the parameter dependence of the steric effect to the steady state.

math-ph↗

Investigating the integrate and fire model as the limit of a random discharge model: a stochastic analysis perspective

In the mean field integrate-and-fire model, the dynamics of a typical neuron within a large network is modeled as a diffusion-jump stochastic process whose jump takes place once the voltage reaches a threshold. In this work, the main goal is to establish the convergence relationship between the regularized process and the original one where in the regularized process, the jump mechanism is replaced by a Poisson dynamic, and jump intensity within the classically forbidden domain goes to infinity as the regularization parameter vanishes. On the macroscopic level, the Fokker-Planck equation for the process with random discharges (i.e. Poisson jumps) are defined on the whole space, while the equation for the limit process is on the half space. However, with the iteration scheme, the difficulty due to the domain differences has been greatly mitigated and the convergence for the stochastic process and the firing rates can be established. Moreover, we find a polynomial-order convergence for the distribution by a re-normalization argument in probability theory. Finally, by numerical experiments, we quantitatively explore the rate and the asymptotic behavior of the convergence for both linear and nonlinear models.

math.PR↗

Surfactant-dependent contact line dynamics and droplet spreading on textured substrates: derivations and computations

We study spreading of a droplet, with insoluble surfactant covering its capillary surface, on a textured substrate. In this process, the surfactant-dependent surface tension dominates the behaviors of the whole dynamics, particularly the moving contact lines. This allows us to derive the full dynamics of the droplets laid by the insoluble surfactant: (i) the moving contact lines, (ii) the evolution of the capillary surface, (iii) the surfactant dynamics on this moving surface with a boundary condition at the contact lines and (iv) the incompressible viscous fluids inside the droplet. Our derivations base on Onsager's principle with Rayleigh dissipation functionals for either the viscous flow inside droplets or the motion by mean curvature of the capillary surface. We also prove the Rayleigh dissipation functional for viscous flow case is stronger than the one for the motion by mean curvature. After incorporating the textured substrate profile, we design a numerical scheme based on unconditionally stable explicit boundary updates and moving grids, which enable efficient computations for many challenging examples showing significant impacts of the surfactant to the deformation of droplets.

physics.flu-dyn↗

Existence and rigidity of the Peierls-Nabarro model for dislocations in high dimensions

We focus on existence and rigidity problems of the vectorial Peierls-Nabarro (PN) model for dislocations. Under the assumption that the misfit potential on the slip plane only depends on the shear displacement along the Burgers vector, a reduced non-local scalar Ginzburg-Landau equation with an anisotropic positive (if Poisson ratio belongs to $(-1/2,1/3)$) singular kernel is derived on the slip plane. We first prove that minimizers of the PN energy for this reduced scalar problem exist. Starting from $H^{1/2}$ regularity, we prove that these minimizers are smooth 1D profiles only depending on the shear direction, monotonically and uniformly converge to two stable states at far fields in the direction of the Burgers vector. Then a De Giorgi-type conjecture of single-variable symmetry for both minimizers and layer solutions is established. As a direct corollary, minimizers and layer solutions are unique up to translations. The proof of this De Giorgi-type conjecture relies on a delicate spectral analysis which is especially powerful for nonlocal pseudo-differential operators with strong maximal principle. All these results hold in any dimension since we work on the domain periodic in the transverse directions of the slip plane. The physical interpretation of this rigidity result is that the equilibrium dislocation on the slip plane only admits shear displacements and is a strictly monotonic 1D profile provided exclusive dependence of the misfit potential on the shear displacement.

math.AP↗

A tumor growth model with autophagy: the reaction-(cross-)diffusion system and its free boundary limit

In this paper, we propose a tumor growth model to incorporate and investigate the spatial effects of autophagy. The cells are classified into two phases: normal cells and autophagic cells, whose dynamics are also coupled with the nutrients. First, we construct a reaction-(cross-)diffusion system describing the evolution of cell densities, where the drift is determined by the negative gradient of the joint pressure, and the reaction terms manifest the unique mechanism of autophagy. Next, in the incompressible limit, such a cell density model naturally connects to a free boundary system, describing the geometric motion of the tumor region. Analyzing the free boundary model in a special case, we show that the ratio of the two phases of cells exponentially converges to a ``well-mixed" limit. Within this ``well-mixed" limit, we obtain an analytical solution of the free boundary system which indicates the exponential growth of the tumor size in the presence of autophagy in contrast to the linear growth without it. Numerical simulations are also provided to illustrate the analytical properties and to explore more scenarios.

math.AP↗

Multiple rogue wave solutions for the generalized (2+1)-dimensional Camassa-Holm-Kadomtsev-Petviashvili equation

Based on the symbolic computation approach, multiple rogue wave solutions of the generalized (2+1)-dimensional Camassa-Holm-Kadomtsev-Petviashvili equation are studied. As an example, we present the 1-rogue wave solutions, 3-rogue wave solutions and 6-rogue wave solutions. Furthermore, some dynamics features of the obtained multiple rogue wave solutions are shown by 3D, contour and density graphics.

nlin.PS↗

Holographic Anomalous Current at a Finite Temperature

Weyl anomaly leads to novel anomalous currents in a spacetime with boundaries. Recently it is found that the anomalous current can be significantly enhanced by the high temperature for free theories, which could make the experimental measurement easier. In this paper, we investigate holographic anomalous currents at a finite temperature. It is found that the holographic current is still enhanced by the high temperature in dimensions higher than three. However, the temperature dependence is quite different from that of free theories. This may be due to the fact that the holographic CFT is strongly coupled and there is non-zero resistance in the holographic model. Remarkably, the temperature dependence of holographic anomalous currents is universal in the high temperature limit, which is independent of the choices of background magnetic fields.

hep-th↗

In search of local singularities in ideal potential flows with free surface

For ideal fluid flow with zero surface tension and gravity, it remains unknown whether local singularities on the free surface can develop in well-posed initial value problems with smooth initial data. This is so despite great advances over the last 25 years in the mathematical analysis of the Euler equations for water waves. Here we expand our earlier work (Chin. Ann. Math. Ser. B 40 (2019) 925) and review the mathematical literature and some of the history concerning Dirichlet's ellipsoids and related hyperboloids associated with jet formation and "flip-through," "splash singularities," and recent constructions of singular free surfaces that however violate the Taylor sign condition for linear well-posedness. We illustrate some of these phenomena with numerical computations of 2D flow based upon a conformal mapping formulation (whose derivation is detailed and discussed in an appendix). Additional numerical evidence strongly suggests that corner singularities may form in an unstable self-similar way from specially prepared initial data.

math.AP↗

Transition path theory for Langevin dynamics on manifold: optimal control and data-driven solver

We present a data-driven point of view for rare events, which represent conformational transitions in biochemical reactions modeled by over-damped Langevin dynamics on manifolds in high dimensions. We first reinterpret the transition state theory and the transition path theory from the optimal control viewpoint. Given point clouds sampled from a reaction dynamics, we construct a discrete Markov process based on an approximated Voronoi tesselation. We use the constructed Markov process to compute a discrete committor function whose level set automatically orders the point clouds. Then based on the committor function, an optimally controlled random walk on point clouds is constructed and utilized to efficiently sample transition paths, which become an almost sure event in $O(1)$ time instead of a rare event in the original reaction dynamics. To compute the mean transition path efficiently, a local averaging algorithm based on the optimally controlled random walk is developed, which adapts the finite temperature string method to the controlled Monte Carlo samples. Numerical examples on sphere/torus including a conformational transition for the alanine dipeptide in vacuum are conducted to illustrate the data-driven solver for the transition path theory on point clouds. The mean transition path obtained via the controlled Monte Carlo simulations highly coincides with the computed dominant transition path in the transition path theory.

math.OC↗

From kinetic to fluid models of liquid crystals by the moment method

This paper deals with the convergence of the Doi-Navier-Stokes model of liquid crystals to the Ericksen-Leslie model in the limit of the Deborah number tending to zero. While the literature has investigated this problem by means of the Hilbert expansion method, we develop the moment method, i.e. a method that exploits conservation relations obeyed by the collision operator. These are non-classical conservation relations which are associated with a new concept, that of Generalized Collision Invariant (GCI). In this paper, we develop the GCI concept and relate it to geometrical and analytical structures of the collision operator. Then, the derivation of the limit model using the GCI is performed in an arbitrary number of spatial dimensions and with non-constant and non-uniform polymer density. This non-uniformity generates new terms in the Ericksen-Leslie model.

math-ph↗

Existence and incompressible limit of a tissue growth model with autophagy

In this paper we study a cross-diffusion system whose coefficient matrix is non-symmetric and degenerate. The system arises in the study of tissue growth with autophagy. The existence of a weak solution is established. We also investigate the limiting behavior of solutions as the pressure gets stiff. The so-called incompressible limit is a free boundary problem of Hele-Shaw type. Our key new discovery is that the usual energy estimate still holds as long as the time variable stays away from $0$.

math.AP↗