The large-scale NLP and MINLP solvers don't know how to compute gradients with a np.nan value so initializing with NaN generally doesn't help. Please post example code that demonstrates the issue that you are observing with improved performance from NaN initialization.
Below are four unconstrained optimization methods compared on the same sample problem. The algorithms do not benefit from NaN for initialization. Some solvers substitute NaN with 0 or a high or low number. I suggest that you try giving np.nan as an initial condition to these solution methods to see how it affects the search for the minimum.
import matplotlib
import numpy as np
import matplotlib.pyplot as plt
# define objective function
def f(x):
x1 = x[0]
x2 = x[1]
obj = x1**2 - 2.0 * x1 * x2 + 4 * x2**2
return obj
# define objective gradient
def dfdx(x):
x1 = x[0]
x2 = x[1]
grad = []
grad.append(2.0 * x1 - 2.0 * x2)
grad.append(-2.0 * x1 + 8.0 * x2)
return grad
# Exact 2nd derivatives (hessian)
H = [[2.0, -2.0],[-2.0, 8.0]]
# Start location
x_start = [-3.0, 2.0]
# Design variables at mesh points
i1 = np.arange(-4.0, 4.0, 0.1)
i2 = np.arange(-4.0, 4.0, 0.1)
x1_mesh, x2_mesh = np.meshgrid(i1, i2)
f_mesh = x1_mesh**2 - 2.0 * x1_mesh * x2_mesh + 4 * x2_mesh**2
# Create a contour plot
plt.figure()
# Specify contour lines
lines = range(2,52,2)
# Plot contours
CS = plt.contour(x1_mesh, x2_mesh, f_mesh,lines)
# Label contours
plt.clabel(CS, inline=1, fontsize=10)
# Add some text to the plot
plt.title(r'$f(x)=x_1^2 - 2x_1x_2 + 4x_2^2$')
plt.xlabel(r'$x_1$')
plt.ylabel(r'$x_2$')
##################################################
# Newton's method
##################################################
xn = np.zeros((2,2))
xn[0] = x_start
# Get gradient at start location (df/dx or grad(f))
gn = dfdx(xn[0])
# Compute search direction and magnitude (dx)
# with dx = -inv(H) * grad
delta_xn = np.empty((1,2))
delta_xn = -np.linalg.solve(H,gn)
xn[1] = xn[0]+delta_xn
plt.plot(xn[:,0],xn[:,1],'k-o')
##################################################
# Steepest descent method
##################################################
# Number of iterations
n = 8
# Use this alpha for every line search
alpha = 0.15
# Initialize xs
xs = np.zeros((n+1,2))
xs[0] = x_start
# Get gradient at start location (df/dx or grad(f))
for i in range(n):
gs = dfdx(xs[i])
# Compute search direction and magnitude (dx)
# with dx = - grad but no line searching
xs[i+1] = xs[i] - np.dot(alpha,dfdx(xs[i]))
plt.plot(xs[:,0],xs[:,1],'g-o')
##################################################
# Conjugate gradient method
##################################################
# Number of iterations
n = 8
# Use this alpha for the first line search
alpha = 0.15
neg = [[-1.0,0.0],[0.0,-1.0]]
# Initialize xc
xc = np.zeros((n+1,2))
xc[0] = x_start
# Initialize delta_gc
delta_cg = np.zeros((n+1,2))
# Initialize gc
gc = np.zeros((n+1,2))
# Get gradient at start location (df/dx or grad(f))
for i in range(n):
gc[i] = dfdx(xc[i])
# Compute search direction and magnitude (dx)
# with dx = - grad but no line searching
if i==0:
beta = 0
delta_cg[i] = - np.dot(alpha,dfdx(xc[i]))
else:
beta = np.dot(gc[i],gc[i]) / np.dot(gc[i-1],gc[i-1])
delta_cg[i] = alpha * np.dot(neg,dfdx(xc[i])) + beta * delta_cg[i-1]
xc[i+1] = xc[i] + delta_cg[i]
plt.plot(xc[:,0],xc[:,1],'y-o')
##################################################
# Quasi-Newton method
##################################################
# Number of iterations
n = 8
# Use this alpha for every line search
alpha = np.linspace(0.1,1.0,n)
# Initialize delta_xq and gamma
delta_xq = np.zeros((2,1))
gamma = np.zeros((2,1))
part1 = np.zeros((2,2))
part2 = np.zeros((2,2))
part3 = np.zeros((2,2))
part4 = np.zeros((2,2))
part5 = np.zeros((2,2))
part6 = np.zeros((2,1))
part7 = np.zeros((1,1))
part8 = np.zeros((2,2))
part9 = np.zeros((2,2))
# Initialize xq
xq = np.zeros((n+1,2))
xq[0] = x_start
# Initialize gradient storage
g = np.zeros((n+1,2))
g[0] = dfdx(xq[0])
# Initialize hessian storage
h = np.zeros((n+1,2,2))
h[0] = [[1, 0.0],[0.0, 1]]
for i in range(n):
# Compute search direction and magnitude (dx)
# with dx = -alpha * inv(h) * grad
delta_xq = -np.dot(alpha[i],np.linalg.solve(h[i],g[i]))
xq[i+1] = xq[i] + delta_xq
# Get gradient update for next step
g[i+1] = dfdx(xq[i+1])
# Get hessian update for next step
gamma = g[i+1]-g[i]
part1 = np.outer(gamma,gamma)
part2 = np.outer(gamma,delta_xq)
part3 = np.dot(np.linalg.pinv(part2),part1)
part4 = np.outer(delta_xq,delta_xq)
part5 = np.dot(h[i],part4)
part6 = np.dot(part5,h[i])
part7 = np.dot(delta_xq,h[i])
part8 = np.dot(part7,delta_xq)
part9 = np.dot(part6,1/part8)
h[i+1] = h[i] + part3 - part9
plt.plot(xq[:,0],xq[:,1],'r-o')
plt.tight_layout()
plt.savefig('contour.png',dpi=600)
plt.show()
More information is available in the design optimization course.
Response to Edit
Thanks for clarifying the question and for including a source code example. While it isn't possible to include Inf as a guess, an equivalent form with an additional variable x may be able to accomplish the desired behavior. This sets the term (T[1]-T[0])/R initially equal to zero at the beginning iteration.
from gekko import GEKKO
from numpy import Inf
model=GEKKO()
R=model.FV(value=1e20)
T=model.Array(model.Var,2)
x=model.Var(value=0)
Q=model.FV()
model.Equations([x==(T[1]-T[0])/R,
Q==x])
model.solve()
