当你想要计算梯度和目标函数时，如何使用scipy.optimize.minimize函数？

Question

scipy.optimize.minimze takes obj and jac functions as input. and I believe it will call them separately as and when needed. But more often than not we come across objective functions whose gradient computation shares a lot of computations from the objective function. So ideally I would like to compute the obj and grad simultaneously. But this doesn't seem to be the case with this library? What is the way to deal with it if one still wants to use scipy.optimize.minimze if at all there is?

Answer 1

You totally can. Just use jac=True :

In [1]: import numpy as np

In [2]: from scipy.optimize import minimize

In [3]: def f_and_grad(x):
   ...:     return x**2, 2*x
   ...: 

In [4]: minimize(f_and_grad, [1], jac=True)
Out[4]: 
      fun: 1.8367099231598242e-40
 hess_inv: array([[ 0.5]])
      jac: array([  2.71050543e-20])
  message: 'Optimization terminated successfully.'
     nfev: 4
      nit: 2
     njev: 4
   status: 0
  success: True
        x: array([  1.35525272e-20])

It's actually documented :

jac : bool or callable, optional Jacobian (gradient) of objective function. Only for CG, BFGS, Newton-CG, L-BFGS-B, TNC, SLSQP, dogleg, trust-ncg. If jac is a Boolean and is True, fun is assumed to return the gradient along with the objective function. If False, the gradient will be estimated numerically. jac can also be a callable returning the gradient of the objective. In this case, it must accept the same arguments as fun.

(emphasis mine)