Dye experimentation is a widely used method in experimental fluid mechanics for flow analysis or for the study of the transport of particles within a fluid. This technique is particularly useful in biomedical diagnostic applications ranging from hemodynamic analysis of cardiovascular systems to ocular circulation. However, simulating dyes governed by convection-diffusion partial differential equations (PDEs) can also be a useful post-processing analysis approach for computational fluid dynamics (CFD) applications. Such simulations can be used to identify the relative significance of different spatial subregions in particular time intervals of interest in an unsteady flow field. Additionally, dye evolution is closely related to non-discrete particle residence time (PRT) calculations that are governed by similar PDEs. PRT is a widely used metric for various fluid dynamics applications (e.g., environmental fluids, biological flows) and is a well-accepted biomarker for cardiovascular diseases since it is linked to thrombus formation. This contribution introduces a pseudo-spectral method based on Fourier continuation (FC) for conducting dye simulations and non-discrete particle residence time calculations without numerical diffusion errors. Convergence and error analyses are performed with both manufactured and analytical solutions. The methodology is applied to three distinct physical/physiological cases: 1) flow over a two-dimensional (2D) cavity; 2) pulsatile flow in a simplified partially-grafted aortic dissection model; and 3) non-Newtonian blood flow in a Fontan graft. Although velocity data is provided in this work by numerical simulation, the proposed approach can also be applied to velocity data collected through experimental techniques such as from particle image velocimetry.
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Fast and accurate predictions of uncertainties in the computed dose are crucial for the determination of robust treatment plans in radiation therapy. This requires the solution of particle transport problems with uncertain parameters or initial conditions. Monte Carlo methods are often used to solve transport problems especially for applications which require high accuracy. In these cases, common non-intrusive solution strategies that involve repeated simulations of the problem at different points in the parameter space quickly become infeasible due to their long run-times. Intrusive methods however limit the usability in combination with proprietary simulation engines. In our previous paper [51], we demonstrated the application of a new non-intrusive uncertainty quantification approach for Monte Carlo simulations in proton dose calculations with normally distributed errors on realistic patient data. In this paper, we introduce a generalized formulation and focus on a more in-depth theoretical analysis of this method concerning bias, error and convergence of the estimates. The multivariate input model of the proposed approach further supports almost arbitrary error correlation models. We demonstrate how this framework can be used to model and efficiently quantify complex auto-correlated and time-dependent errors.
We present a novel energy-based numerical analysis of semilinear diffusion-reaction boundary value problems. Based on a suitable variational setting, the proposed computational scheme can be seen as an energy minimisation approach. More specifically, this procedure aims to generate a sequence of numerical approximations, which results from the iterative solution of related (stabilised) linearised discrete problems, and tends to a local minimum of the underlying energy functional. Simultaneously, the finite-dimensional approximation spaces are adaptively refined; this is implemented in terms of a new mesh refinement strategy in the context of finite element discretisations, which again relies on the energy structure of the problem under consideration, and does not involve any a posteriori error indicators. In combination, the resulting adaptive algorithm consists of an iterative linearisation procedure on a sequence of hierarchically refined discrete spaces, which we prove to converge towards a solution of the continuous problem in an appropriate sense. Numerical experiments demonstrate the robustness and reliability of our approach for a series of examples.
Most research on preconditioners for time-dependent PDEs has focused on implicit multi-step or diagonally-implicit multi-stage temporal discretizations. In this paper, we consider monolithic multigrid preconditioners for fully-implicit multi-stage Runge-Kutta (RK) time integration methods. These temporal discretizations have very attractive accuracy and stability properties, but they couple the spatial degrees of freedom across multiple time levels, requiring the solution of very large linear systems. We extend the classical Vanka relaxation scheme to implicit RK discretizations of saddle point problems. We present numerical results for the incompressible Stokes, Navier-Stokes, and resistive magnetohydrodynamics equations, in two and three dimensions, confirming that these relaxation schemes lead to robust and scalable monolithic multigrid methods for a challenging range of incompressible fluid-flow models.
Group equivariant convolutional neural networks (G-CNNs) are generalizations of convolutional neural networks (CNNs) which excel in a wide range of scientific and technical applications by explicitly encoding group symmetries, such as rotations and permutations, in their architectures. Although the success of G-CNNs is driven by the explicit symmetry bias of their convolutional architecture, a recent line of work has proposed that the implicit bias of training algorithms on a particular parameterization (or architecture) is key to understanding generalization for overparameterized neural nets. In this context, we show that $L$-layer full-width linear G-CNNs trained via gradient descent in a binary classification task converge to solutions with low-rank Fourier matrix coefficients, regularized by the $2/L$-Schatten matrix norm. Our work strictly generalizes previous analysis on the implicit bias of linear CNNs to linear G-CNNs over all finite groups, including the challenging setting of non-commutative symmetry groups (such as permutations). We validate our theorems via experiments on a variety of groups and empirically explore more realistic nonlinear networks, which locally capture similar regularization patterns. Finally, we provide intuitive interpretations of our Fourier space implicit regularization results in real space via uncertainty principles.
Propagating patterns are used to transfer and process information in chemical and physical prototypes of unconventional computing devices. Logical values are represented by fronts of traveling diffusive, trigger or phase waves. We apply this concept of pattern based computation to develop experimental prototypes of computing circuits implemented in small modular robots. In the experimental prototypes the modular robots Cubelets are concatenated into channels and junction. The structures developed by Cubelets propagate signals in parallel and asynchronously. The approach is illustrated with a working circuit of a one-bit full adder. Complementarily a formalization of these constructions are developed across Sleptsov nets. Finally, a perspective to swarm dynamics is discussed.
We propose a collocation method based on multivariate polynomial splines over triangulation or tetrahedralization for the numerical solution of partial differential equations. We start with a detailed explanation of the method for the Poisson equation and then extend the study to the second-order elliptic PDE in non-divergence form. We shall show that the numerical solution can approximate the exact PDE solution very well. Then we present a large amount of numerical experimental results to demonstrate the performance of the method over the 2D and 3D settings. In addition, we present a comparison with the existing multivariate spline methods in \cite{ALW06} and \cite{LW17} to show that the new method produces a similar and sometimes more accurate approximation in a more efficient fashion.
Two nonconforming finite element Stokes complexes starting from the conforming Lagrange element and ending with the nonconforming $P_1$-$P_0$ element for the Stokes equation in three dimensions are constructed. And commutative diagrams are also shown by combining nonconforming finite element Stokes complexes and interpolation operators. The lower order $\boldsymbol H(\textrm{grad}\textrm{curl})$-nonconforming finite element only has $14$ degrees of freedom, whose basis functions are explicitly given in terms of the barycentric coordinates. The $\boldsymbol H(\textrm{grad}\textrm{curl})$-nonconforming elements are applied to solve the quad-curl problem, and optimal convergence is derived. By the nonconforming finite element Stokes complexes, the mixed finite element methods of the quad-curl problem are decoupled into two mixed methods of the Maxwell equation and the nonconforming $P_1$-$P_0$ element method for the Stokes equation, based on which a fast solver is discussed. Numerical results are provided to verify the theoretical convergence rates.
The problem of nonprehensile manipulation of a stick in three-dimensional space using intermittent impulsive forces is considered. The objective is to juggle the stick between a sequence of configurations that are rotationally symmetric about the vertical axis. The dynamics of the stick is described by five generalized coordinates and three control inputs. Between two consecutive rotationally symmetric configurations, the dynamics is conveniently represented by a Poincar\'e map in the reference frame of the juggler. Stabilization of the orbit associated with a desired juggling motion is accomplished by stabilizing a fixed point on the Poincar\'e map. The Impulse Controlled Poincar\'e Map approach is used to stabilize the orbit, and numerical simulations are used demonstrate convergence to the desired juggling motion from an arbitrary initial configuration. In the limiting case, where consecutive rotationally symmetric configurations are chosen arbitrarily close, it is shown that the dynamics reduces to that of steady precession of the stick on a hoop.
Backward Stochastic Differential Equations (BSDEs) have been widely employed in various areas of social and natural sciences, such as the pricing and hedging of financial derivatives, stochastic optimal control problems, optimal stopping problems and gene expression. Most BSDEs cannot be solved analytically and thus numerical methods must be applied in order to approximate their solutions. There have been a variety of numerical methods proposed over the past few decades as well as many more currently being developed. For the most part, they exist in a complex and scattered manner with each requiring different and similar assumptions and conditions. The aim of the present work is thus to systematically survey various numerical methods for BSDEs, and in particular, compare and categorize them, for further developments and improvements. To achieve this goal, we focus primarily on the core features of each method on the basis of an exhaustive collection of 289 references: the main assumptions, the numerical algorithm itself, key convergence properties and advantages and disadvantages, in order to provide a full up-to-date coverage of numerical methods for BSDEs, with insightful summaries of each and a useful comparison and categorization.
The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.
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