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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.

43 questions with no upvoted or accepted answers
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453 views

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 ...
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180 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 $x_*$ ...
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1answer
235 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 ...
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29 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, ...
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66 views

Complex differentiation of linear solvers

I have a linear system $$Ax=b$$ which I'm solving approximately, and I need to take the frechet derivative of x with respect to z. Were I solving the problem exactly (either analytically or to machine ...
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72 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 ...
4
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201 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 ...
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334 views

Convergence rate of Picard iterations

Given a first order ODE $y'(x)=f(x,y)$ with the initial condition $y(x_0)=x_0$ such that it satisfies Picard thoerem of existence and uniquness, one can compute the solution by Picard iterations : $$ ...
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141 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 ...
4
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119 views

What causes periodic humps in residual plots?

When using many iterative methods, whether for solving linear systems, looking for steady-state convergence in CFD, etc., the semilog plot of the residual often shows "humps" as the residual decays. ...
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322 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 ...
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100 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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108 views

Unstable convergence of a Poisson equation

What could be the reason that the solution of a Poisson equation is smooth when obtained by an iterative solver, only if the maximum residual is set to a high value (e.g. 0.1)? When the maximum ...
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67 views

PETSc SNES for user defined state

How to use PETSc SNES (scalable nonlinear equation solver), when the solution is not a vector but a user defined state? I am implementing a non-linear mechanics problem (geometrically exact shell 5-...
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194 views

How to avoid the Broyden's jacobian approximation becoming poorer with the number of iterations?

I have to solve many times a nonlinear system of the form $$f(x) = b^{(n)}$$ inside a loop. The function $f$ is expensive to compute and I do not have its jacobian, so I have tried the good Broyden's ...
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413 views

full rank update to cholesky decomposition for multivariate normal distribution

This question is a specialization of full rank update to cholesky decomposition, to which I hope to get a more positive answer. When calculating the minus log of the multivariate normal distribution, ...
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83 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 $r$ ...
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38 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 ...
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75 views

Richardson's Iteration, Gradient Method and Spectral Radius

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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68 views

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 ...
2
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57 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 ...
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129 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 ...
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76 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 ...
2
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62 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 ...
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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? ...
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184 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....
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102 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 ...
2
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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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31 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 ...
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48 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 ...
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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 ...
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57 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 ...
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57 views

fourth order Poisson iterative solver --in Matlab

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 ...
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56 views

bound error for iterative method for solving linear system

$A$ is square and positive definite, and let $r_k = Ax_k - b$. Also let $M = \frac{1}{2}(A+A^T)$. I want to show that $$\frac{||r_{k+1}||_2}{||r_k||_2} \le \left(1-\frac{\lambda_\min(M)^2}{\lambda_\...
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32 views

Difference between Chebyshev first and second degree iterative methods

Consider linear equation $Au = f$. We want to solve it with iterative method (assuming $A$ is good). First order iterative method is: $$ u^{k+1} = u^k - \alpha_{k+1}(Au^k - f), $$ The second degree ...
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152 views

Search Direction in Conjugate Gradient

Could you help me with a Conjugate Gradient question? In using CG to solve Ax=b, why is the search direction $p_{k+1}$ in CG chosen as a linear combination of the residual $r_k$ and previous direction ...
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85 views

Increase convergence of non-linear equations resulting from ODEs

I am trying to solve a set of couple ODEs: $V_l(r) - r W_l(r) - f1(r) W_l' = 0\tag 1$ $r^2 h''_l(r) + f2 r h_l'(r) + f3 h_l(r) - f4 U_l(r) = 0 \tag 2$ $\kappa (U_l + h_l) + V_{l+1} + W_{l+1} = 0\...
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24 views

Divergence issues when using intrinsic cohesive elements approach

When I model the strain localisation of a microscopic sample (or say RVE ) with cohesive elements approach, the convergence performance looks very terrible. I have to use extremely time increments (...
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1answer
86 views

How to set an initial guess for the iterative solver in Comsol?

How to set the initial guess for the iterative solver GMRES or FGMRES for linear problems (Helmholtz equation of RF module) in Comsol?
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27 views

A preconditioner for self-consistent iteration

I tried to derive a preconditioner for self-consistent iteration similar to section IX in arXiv:0804.2583. For simplicity, consider here only one orbital (one or two electrons) systems. Suppose that ...
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85 views

Solving a non-convex optimization problem using fmincon

I am trying to solve a non-convex optimization problem using fmincon(). At each iteration, I am iteratively looking for the optimum value and when the termination ...
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30 views

Boundary Conditions involving exponential functions of nodal unknowns

I am fairly new to Computational Engineering and I have mainly been exposed to using the Finite Difference Method to produce Linear Systems and solve them using Iterative Methods. I am trying to ...
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1answer
231 views

Gauss-Seidel method convergence

I am currently programming a code to find the equilibrium function that satisfies the poisson equation in 2D. In order to do this I use finite difference methods and the discrete equation I want to ...