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 ...
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35 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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713 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 ...
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182 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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82 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 ...
4
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73 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 ...
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254 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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367 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 : $$ ...
4
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154 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 ...
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127 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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325 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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42 views

Subspaces for Iterative methods

In the original paper of Conjugate Gradients, the authors mention that if we pick the canonical basis $\{e_1,e_2,\ldots,e_n\}$, to obtain A-orthonormal vectors, we end up with the Gaussian elimination ...
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122 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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120 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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72 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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209 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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435 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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55 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 ...
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84 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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55 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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86 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 ...
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60 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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136 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 ...
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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 ...
2
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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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195 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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104 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 ...
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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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56 views

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 ...
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35 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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51 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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58 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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61 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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36 views

Why does the initial guess for linear system usually choose by zero vector?

For solving linear system $$ Ax=b, $$ using iterative mehods, we often use the terminate criterion as follows: $$ \frac{\|r_k\|}{\|r_0\|}=\frac{\|b-Ax_k\|}{\|b-Ax_0\|}<eps. $$where $x_0$ is the ...
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34 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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30 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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118 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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1answer
246 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 ...