Questions tagged [iterative-method]

A method which produces a sequence of numerical approximations which converges (provided technical conditions are satisfied) to the solution of a problem, generally through repeated applications of some procedure. Examples include Newton's method for root finding, and Jacobi iteration for matrix-vector solves.

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DIIS method to accelerate SCF convergence for stretched geometries

I am implementing from scratch an Hartree-Fock calculation in the STO-3G basis set to perform Born-Oppenheimer molecular dynamics. I have a Restricted Hartree-Fock procedure that can reproduce very ...
192 views

Implementation of Lanczos method that returns tridiagonal matrix

The Lanczos method can be used to obtain extremal eigenpairs of sparse symmetric or hermitian matrices. I know there are several implementations of the Lanczos method (as well as Arnoldi, Davidson, ...
92 views

Trying to understand splitting-based iterative method for 2D Laplace problem

I am trying to understand the theory behind a splitting based iterative method which uses the incomplete Cholesky factorization. Before giving the specific details, let me first give the problem ...
79 views

Improving convergence of Jacobi iteration to Schur form

I'm using SIMD processor arrays to compute the eigen-decomposition for large numbers of small (up to $32\times 32$) matrices. For assorted technical reasons, Jacobi iteration maps well to the SIMD ...
531 views

Solving a PDE implicitly by iteration in python

Connected to this question here on Computational Science, I've posted a follow-up question on how to solve a PDE using an implicit scheme like Crank-Nicholson in general in this question on SO. But I ...
198 views

Preconditioning technique for large sparse non-hermitian matrix

I am attempting to solve a computational acoustics problem that involves solving an underlying sparse matrix. The size of the problem varies with grid size (3D) and fill-in's obviously make direct ...
794 views

Can Gauss-Seidel/SOR (preconditioned?) be applied to a non-diagonally dominant matrix?

After applying finite difference method to a Laplace/Poisson problem always arises a diagonal dominant system of equations that can be solved with Gauss-Seidel or SOR methods. If the original PDE does ...
214 views

Conjugate residual/gradient convergence checking in practice

Let's say we want to solve $Ax=b$ ($A$ symmetric positive /semi/definite) with the conjugate residual/gradient method. $A$ comes from FEM where the mesh is being refined. The exact solution is $x_*$ ...
366 views

Understanding the meaning of Computational Order of Convergence

I am a postgraduate student with interest in numerical methods for solving nonlinear systems of equations. I have read some papers that discussed about 'computational order of convergence' for some ...
245 views

Robust smoothers for geometric multigrid

I'm searching for robust smoothers for geometric multigrids. By robust I mean: Effective for high order approximations (say spectral element, spectral Discontinuous Galerkin), Parallel (suitable for ...
273 views

Nonlinear least squares and regularization

Consider the nonlinear least-squares minimization of a vector of $n$ residuals $\mathbf{f}$ in $p$ parameters $\mathbf{x}$: $$\min_{\mathbf{x}} || \mathbf{f}(\mathbf{x}) ||^2$$ This can be done with ...
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Residual of Poisson equation with periodic boundaries

I am trying to write a multigrid solver for Poisson's equation, $-\Delta u=f$, on the unit square, $\Omega=(0,1)^2$ with periodic boundaries. My primary source has been Multigrid by Trottenberg, ...
120 views

How to reproduce the numerical examples in Prof. Saad's Book about Krylov subspace methods?

After reading Prof. Saad' Book, "Iterative methods for Sparse Linear Systems, 2nd version", I want to do the numerical examples about the Krylov subspace methods not only to reproduce the results in ...
105 views

Small residual but wrong results

When I use BiCGStab to solve a linear matrix system, I use the relative residual to exit the iteration and output the results. For calculating the relative residual I divide the norm of vector $r$ ...
267 views

Understanding MP-PIC implementation in OpenFOAM

The multiphase particle-in-cell (MP-PIC) method is characterized by mapping particle properties from the Lagrangian coordinates to the Eulerian grid. However, the implementation of this method in ...
180 views

Richardson's iteration introduce a scalar $\alpha$ to the update formula: $$\textbf{x}^{(k+1)} = \textbf{x}^{(k)} + \alpha \textbf{r}^{(k)}$$ And compute $\alpha$ by minimizing the spectral radius:...
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Simultaneous update to barycenters

Suppose a tiling is given in 2D (an embedding of a planar triangulated graph), with all faces convex. Now suppose one moves each point, one by one, to the barycenter of its neighbors. I think that ...
73 views

How can I numerically solve a saddle point problem with repeated constraints?

I am interested in numerically solving the following constrained minimization problem; Find the value of $x\in \mathbb{R}^n$ that minimizes $f$ where $f\colon \mathbb{R}^n\to \mathbb{R}$ is defined ...
162 views

Generalized eigenvalue with null space

Define $S\in\mathbb{R}^{n\times n}$ as $$S:=H+Q^\top V^{-1} Q.$$ $H,V$ are positive semidefinite. Here, $H$, $Q$, and $V$ are large, dense matrices but they are structured: I can write code for ...
83 views

Numerical error in implementation of iterative algorithm

I am trying to implement (in Python for now) low thrust orbit propagation for spacecraft using universal variables. For a given central body with the gravitational parameter $\mu$ and an orbit with ...
69 views

Dynamic Successive Over/under Relaxation (SOR) with several variables

I am solving a partial differential algebraic equation (PDAE) system which has the following dependent variables: $f=f(X,T)$ and $g=g(T)$, along with a few others My current method for coupling is ...
52 views

SPECT reconstrction using MLEM

In Single-Photon Emission Computerized Tomography (SPECT) parallel beam reconstruction using Maximum-Likelihood Expectation–Maximization(MLEM), is it sufficient to scan the object around 180 degree? ...
256 views

Does Conjugate Residual really have convergence properties similar to that of Conjugate Gradient?

I have coded up a toy implementation of Conjugate Residual and have been testing it. Both wikipedia and the Saad claim that Conjugate Residual and Conjugate Gradient have similar convergence behavior....
108 views

Modal analysis of structure with aerodynamic damping

I'm using modal decomposition to predict the steady state response of a beam structure to harmonic loading. The structure itself is very lightly damped, but we know from experiments that the ...
71 views

What are Implications of Commutative Diagrams?

This question may be too broad. But I really want to know some concrete explanations. I often find various commutations appear here and there, which concerns the application order of two operators. ...
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Can the standard multigrid performance be used for time-dependent PDEs?

Consider a time dependent pde(i.e u(x,t)).I know when only space-coarsening is used the standard multigrid performance can be applied but what if instead we use only time-coarsening?Can we apply the ...
53 views

BicgStab is not able to solve while Jacobi or GaussSeidel Methods can

I am trying to solve the 2D laplace equation, $\frac{\partial^2 T}{\partial x^2} + \frac{\partial^2 T}{\partial y^2} = 0; \qquad 0 \lt x \lt 1, \quad0 \lt y \lt 1$ Subjected to the boundary ...
62 views

Kinetic preconditioning

Publication arXiv:0804.2583 describes a method for doing self-consistent iteration without having to diagonalize the Hamiltonian operator at every step. IX. PRECONDITIONING As already mentioned, ...
34 views

Logging vs outputs in iterative optimisation

I'm coding an iterative algorithm of constrained continuous optimisation. An augmented Lagrangian algorithm (outer) calls a bound-constrained L-BFGS-B algorithm (inner), which calls a line search ...
61 views

Fixed point iteration reduction factor

In a book for solving a nonlinear differential equation with $N+1$ points, $u_{xx} = e^{u}, u(-1)=u(1) = 0$, in $[-1,1]$ with homogeneous Dirichlet boundary conditions, the fixed point iteration is ...
I want to calculate the stream function $\psi$ starting from a velocity field $(u,v)$ (such that $u=-\frac{\partial\psi}{\partial y}$ and $v=\frac{\partial\psi}{\partial x}$). I thus calculate the ...