使用scipy.optimize.minimize（）进行约束优化的问题

Question

I'm trying to use scipy.optimize.minimize() for a constrained optimization. If we call the solution of the minimizazion problem s , the constraints I'm trying to implement set s[0] = 0 and s[-1] = 1 . Here's a minimal script to reproduce the error I get:

import numpy as np
from scipy.optimize import minimize

def potential( x, y ):

  x2 = x * x
  x4 = x2 * x2
  y2 = y * y
  y5 = ( y - 5./3. ) * ( y - 5./3. )
  y3 = ( y - 1./3. ) * ( y - 1./3. )
  y34 = y3 * y3
  x_1 = ( x - 1. ) * ( x - 1. )
  x1 = ( x + 1. ) * ( x + 1. )

  pot = 5. * np.exp( -x2 - y2 ) - 3. * np.exp( - x2 - y5 ) - 5. * np.exp( - x_1 - y2 ) - 5. * np.exp( - x1 - y2 ) + 0.2 * x4 + 0.2 * y34

  return pot

def functional( q, x_new, y_new ):
  I = 0
  beta = 1./6.67
  dl = 0.2
  dl2 = dl**2

  for k in range(1, len(q) - 1):
    ngradU = ( potential(x_new[k+1], y_new[k+1]) - potential(x_new[k], y_new[k]) ) / dl
    I += ( beta/dl2 * ( q[k+1] + q[k-1] - 2. * q[k] ) + beta/2. * (q[k+1] - q[k]) * ngradU )**2

  return I

def delta(i, k):
  if( i == k ):
    return 1.
  else:
    return 0.

def derivative( q, x_new, y_new ):

  beta = 1./6.67
  dl = 0.2
  dl2 = dl**2

  der = np.zeros_like(q)

  for j in range(len(q)):
    for k in range(1, len(q) - 1):
        ngradU = ( potential(x_new[k+1], y_new[k+1]) - potential(x_new[k], y_new[k]) ) / dl
        deltas = beta/dl2 * ( delta(k+1, j) + delta(k-1,j) - 2. * delta(k,j) ) - beta/dl * ngradU * ( delta(k+1, j) - delta(k,j) )
        der[j] += ( beta/dl2 * ( q[k+1] + q[k-1] - 2. * q[k] ) + beta/2. * (q[k+1] - q[k]) * ngradU ) * deltas

  return der

### MAIN
x_new = [-0.75956243, -0.63528643, -0.49338262, -0.35764855, -0.23954228, -0.12408018, 0.02134918, 0.20379693, 0.32454737, 0.43119557, 0.54225072, 0.66211977, 0.78198882]
y_new = [0.55944712, 0.70475988, 0.83125047, 0.96420533, 1.11378898, 1.26572396, 1.38819039, 1.33494757, 1.18824942, 1.03070726, 0.87501396, 0.7275383, 0.57900219]
s = [ 0.07453653, 0.14188005, 0.21413291, 0.28632847, 0.35839168, 0.43770331, 0.51499522, 0.58833728, 0.66737105, 0.73637078, 0.80085735, 0.86481271, 0.92374577]

cons = ({'type': 'eq',
          'fun' : lambda x: x[0],
          'jac' : lambda x: x[0]},
        {'type': 'eq',
          'fun' : lambda x: x[-1],
          'jac' : lambda x: x[-1]})

res = minimize(functional, s, method='SLSQP', jac=derivative, constraints=cons, options={'disp': True}, args=(x_new, y_new))

The error is the following:

ValueError: all the input array dimensions except for the concatenation axis must match exactly

The lengths of x_new , y_new and s match perfectly, so my guess is that I'm doing something wrong with the constraints. Indeed, when I use method='CG' with the exact same parameters - and not including contstraints - the calculation runs flawlessly.

Thanks for the help!

Answer 1

The bug is your jac in the cons .

 'jac' : lambda x: x[0]

Your x is an array, the jac of an array should produce an array. You can fix it by just removing this jac or fix it by correct dimenstion.

'CG' method can't handle constraint, thus your cons is simply ignored, that's why you haven't found this error in 'CG'.