Questions tagged [optimization]

This tag is intended for questions on methods for the (constrained or unconstrained) minimization or maximization of functions.

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146 views

Gaussian geometry optimisation: molecule is getting dissociated into sub group?

I was trying to optimise CdSe (Cysteine) molecule using a semi-empirical method in Gaussian 09 (and gaussView) for a preliminary study of quantum dots. But it seems as the number of iterations ...
4
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2answers
877 views

Conjugate gradient method to minimize a function

I am having some serious difficulties trying to understand how to use (apply) CG to minimize a function. In all the textbooks and notes, the step size $\alpha$ is give by the following expression $$ \...
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1answer
2k views

scipy optimize fsolve or root

I have a function: delt=1 #trial def f(z): return ((1-2*z)*np.exp(-delt/z))/(((1-z)**(2+delt))*(z**(2-delt))) I also have a variable: ...
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1answer
4k views

Backtracking-Armijo Line Search Algorithm

EDIT based on comments below: I add the mathematical formulation of my problem below. I am trying to solve an equation of the form $$ \partial_t f(x,y,t)= (\partial^2_x +\partial^2_y) f(x,y,t) \equiv ...
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2answers
42 views

Optimisation of purely integer quantity with bound-constraints for a 1D expensive function whose analytical form is not available

I have a computationally expensive objective function, whose analytical form is not available. The only input argument to the objective function is an integer variable. The goal is to compute the ...
2
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0answers
79 views

Literature on numerical solving based on multiple meshes?

Consider solving a differential equation system for 1D, 2D, or 3D. It involves various input and output "field" variables, which, more often than not, correspond to various physical quantities ...
2
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1answer
123 views

Minimize the number of unique elements in a vector

I was wondering if there is a simple or known way to minimize the number of unique elements in a decision variable (vector). Note that I'm not asking for minimization of nonzero elements (rank ...
1
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2answers
142 views

Numerical optimization algorithm with approximated derivatives

Suppose I have a energy functional E depending on X, where X is a N-dimensional real value vector and N could be very large (~=2000). I assume that there exists (at least) a (local) minimizer for E. ...
0
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1answer
159 views

Obtaining extra output argument(s) from the objective function used by fsolve in MATLAB

I have a MATLAB code (see below) that employs 'fsolve' from the optimization toolbox for a root finding problem. The bottleneck is that, within the objective function calculation, there is a ...
2
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3answers
757 views

How to get multiple solutions for a optimization problem using any kind of software

I have a optimization problem in which the optimal objective value occurs at multiple point in the feasible space. If I run my problem in LINGO software then it gives me the optimal objective value at ...
4
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0answers
316 views

Optimisation of matrix exponential

I have a 7000x7000 sparse matrix (scipy), which I want to exponentiate. I've tried using scipy.sparse.linalg.expm, which works quite well for smaller matrices (takes a few seconds for a 1000x1000 ...
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1answer
29 views

constraint satisfaction via an LD solution

I'm going through the article in the following link lately and one point confuses me a lot. https://arxiv.org/pdf/1509.05001.pdf So, the goal of this paper is to solve the following constrained ...
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0answers
79 views

constrained quadratic binary problems and quantum adiabatic evolution

I'm going through an article with title "Solving constrained quadratic binary problems via quantum adiabatic evolution" (reference 1). And there are several points confusing me a lot. This article is ...
1
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0answers
14 views

Optimizing estimator of composed functions when function is known

Note: This was cross-posted from comp-sci, as I didn't know this community existed! I have a problem which I'm looking to see if there is literature on: Consider three types of actors, a Director, ...
1
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0answers
42 views

Unclear definition of objective function for MPM

While reading this paper on MPM (page 48), the definition of the objective function $E(\boldsymbol v_{\boldsymbol i})$ didn't make sense to me, although I completely understand the definition of (what ...
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1answer
151 views

lagrangian dual and linear programming

I'm going through an article lately and there is one point which is very confusing. So, we have the following original constrained binary quadratic problem as the following. The pre-assumption of ...
3
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0answers
74 views

linear relaxation of an optimization problem

I'm reading an article lately, and there is one point which confuses me. So, we have the following constrained binary quadratic problem. min $x^{T}Qx$ with the constraints that $Ax≤b$ and $x\in {0,...
3
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0answers
110 views

Stochastic gradient descent for large deterministic optimization problems

The Wikipedia page for SGD describes optimizing a function $f = \sum f_i(\theta;x_i)$ by successively approximating gradients from random subsets of the data, while most literature poses the problem ...
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0answers
174 views

First approximation to the TSP in a non-complete Graph

I'm trying to solve the Travelling Salesman Problem in a non-complete graph $(G,E)$ using genetic algorithms. My problem is that I can't find a good first approximation by the usual greedy algorithms,...
1
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1answer
120 views

GAMS Optimization

I am writing a GAMS program where I am interested in using the value of a variable as a condition inside an another equation. Let's say I have two equations with two variables, $g_1(t)$ and $g_2(t)$, ...
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0answers
147 views

How to test for convergence (smoothness of Pareto front) in DEAP

In the DEAP algorithms (see documentation here), I notice that we need to specify the the number of generations (NGEN). I was advised that convergence has been achieved if the Pareto curve is smooth. ...
4
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1answer
152 views

Optimization of non-smooth, non-convex, locally Lipschitz functions of type exp(-abs(x))

What would be the numerical method of choice to find minima in a non-smooth, non-convex, locally Lipschitz function $f: \mathbb{R}^n\rightarrow \mathbb{R}$. The function $f$ is mostly smooth but ...
2
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0answers
59 views

Comparing the solutions to a multi-objective optimization problem

Suppose I have a multi-objective optimization problem, and I wish to find solutions using two different methods/algorithms. The result of each algorithms is a Pareto front. Comparing two different ...
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0answers
75 views

How does this Constrained Minimization algorithm work?

I don't fully understand the subsection 3.2 Constrained minimization of this paper. In particular, I don't understand the first step "Register active set" and the definition of projection $P(x)$. ...
2
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0answers
94 views

Optimization based integration for MPM

I'm considering implementing (just for simplicity) the unconstrained implicit optimization based integration for Material Point Method as described in Chenfanfu Jiang's thesis on MPM (the minimization ...
0
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1answer
208 views

What penalty function produces optimization-based Gaussian smoothing?

I have just read yet another introduction to image processing, which describes Gaussian smoothing from a convolution perspective and least-squares smoothing from an optimization perspective. It would ...
1
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2answers
640 views

LU decomposition of large dense matrices

I wanted to generate LU decomposition of large size dense matrices ($N>10^7$), the LU decomposition I'm currently using is based on Adaptive Cross Approximation and is taking very long time to ...
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0answers
183 views

Variable elimination in linear programming

I have a linear program of the form $$\underset{P,\;g}{\text{Minimize}}\hspace{3mm}c^Tg$$ \begin{align} \hspace{17mm}\text{Subject to}\hspace{3mm}AP_{\cdot,j}&=\begin{bmatrix} -g\\ d \end{...
2
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0answers
93 views

A least square problem with a fixed mean constraint and a subspace constraint

Let $V_1,\ldots,V_n$ be $n$ vector subspaces of a Hilbert space, $y_i\in V_i$ for each $i$ and $\overline{x}$ be a fixed vector. I want to solve the optimization problem: \begin{equation*} \begin{...
3
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0answers
62 views

Relaxing a variable in MIP

I have this MIP optimization problem, with couple of binary variables; however when I relax one of the binary variables the optimal solution of the objective does not change. But the solving time ...
3
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0answers
1k views

Understanding MATLAB's `fmincg` optimization function

I'm researching numerical optimization. Recently I've come across a variant of a conjugate gradient method named fmincg. The function is written in MATLAB and is ...
2
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0answers
62 views

Global optimization with known distributions of some variables

I'm solving simple single-objective multidimensional global optimization problem using various stochastic algorithms like Monte-Carlo, GA and other evolutionary approaches. The task is formulated as ...
2
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2answers
200 views

Approach to handle a quadratic constraint xy <= z

I have non-linear constraints like $ x_1x_2\leq x_3 $ where $ x_1,x_2,x_3\geq 0 $. The objective is linear, and all other constraints are linear, too. I know that I can transform the product as $ ...
3
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0answers
96 views

Finite difference method for coupled PDEs: optimizing performance (time step, iterations per step)

I'm solving coupled PDEs using finite difference method: Incompressible Navier-Stokes and the divergence-free induction equation (Maxwell's equations) with non-uniform electrical conductivity. The ...
5
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0answers
142 views

How to optimally choose points for multivariable Hermite interpolation?

I have a multi-variate, continuous function $f$ from $R^n$ to $R$, which I can query for its output for any input. I would like to create interpolation polynomial for it. In one-dimensional case ...
1
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0answers
116 views

preconditioning LBFGS?

I want to minimize an energy of the form $$V_1(\mathbf{x}) + V_2(\mathbf{x})$$ where $V_1$ is much stiffer than $V_2$. When I try to use LBFGS, convergence is extremely slow, as the solution ...
3
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3answers
241 views

How to debug a constrained optimization algorithm?

I have implemented a saddle point optimization problem based on the algorithm by Prof. Nesterov, primal-dual[1]. Unfortunately, it doesn't work. It seems it is converging. But unfortunately, not to ...
7
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1answer
119 views

reformulating inverse problem as multi-objective optimization

I'm working on an inverse problem for my Ph.D. research, for which I'll write the objective functional as $J(\theta) = E(G(\theta) - u^o)$, where $\theta$ are the parameters, $G$ is the forward map ...
1
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1answer
22 views

Break a set of numbers to minimum groups with each having a common divider

I have a set of numbers, all positive, integers obviously, and what I want to do is divide them in the least possible groups with each group having a GCD bigger than 1. The biggest possible number is ...
3
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2answers
172 views

Optimization of known function with respect to two unknown function arguments

I have a data set, composed of points $(x_i, y_i)$ for $i=1,N$. I also have a known function $F$, which maps these points $x_i$ to $y_i$ as such $F(x_i, a(x_i),b(x_i)) = y_i$, where $a(x_i)$ and $b(...
0
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2answers
444 views

Optimization using Python/MATLAB

Given the following optimization problem: Given positive integers $n_1, n_2, \dots, n_m$ and real numbers $P_1, P_2, \dots P_m$. Besides these, given positive real numbers $a_{i,j,l}$ for $1 \leq i \...
1
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1answer
105 views

SOCP: Recovering primal from dual

Consider the following second-order cone program (SOCP): $$ \begin{array}{rl} \min_x & c^\top x\\ \mathrm{s.t.} & \|A_ix+b_i\|_2 \leq c_i^\top x+d_i \ \forall i \end{array} $$ Suppose I solve ...
2
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1answer
197 views

Minimizing linear objective on intersection of convex sets

Suppose I wish to solve the following optimization problem: $$ \begin{array}{rl} \min_{\mu\in\mathbb{R}^n} &\mu^\top c\\ \textrm{subject to} & \mu\in C_1\cap C_2\cap\cdots\cap C_k, \end{array} ...
2
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2answers
92 views

Question concerning accumulation point

Suppose that we have to find an optimal solution $x^*$ to an optimization problem involving some function $f$, such that $0\in\partial f(x^*)$ where $\partial$ denotes the subdifferential. Let $(x_n)...
3
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1answer
143 views

Why are Hamiltonian dynamics used in MCMC?

In Hamiltonian Monte Carlo, Hamiltonian dynamics are used to generate new proposals from the current state. I understand why these dynamics are used as opposed to random walk behavior to generate ...
0
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1answer
291 views

Nonlinear integer program with linear constraints

I'm trying to perform inference over a subset of the latent variables of a hierarchical hidden Markov model I built. I've derived the relevant optimization problem, but it's a pretty nasty piece of ...
0
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1answer
140 views

Optimization with Yalmip [closed]

I would like to solve in Matlab the following optimization problem $$\begin{array}{ll} \text{maximize} & \bigg\| \displaystyle\sum_{l=1}^{2}\alpha_l \int_{\tau_{m+l-1}}^{\alpha_1\tau_m+\alpha_2\...
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0answers
77 views

vectorizing optimization or root finding [closed]

I need to find the roots of a function. I am currently using scipy.optimize.fsolve ...
4
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0answers
500 views

Precision of ratio constraint in a linear program [closed]

I am trying to solve a LP in which one of my constraints is of the form $$\frac{A(x)}{B(x)} = 1$$ I transform this constraint into a linear one $$A(x) - B(x) = 0$$ However when CPLEX solves the ...
1
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1answer
33 views

Parameter identification for regression model

Consider the following regression model : Y = AX + BU where the size of Y is $N \times n$, A is $N \times n$, X is $n \times n$, B is $N \times n$ and U is $n \times 1$. The matrices X,Y and U are ...