Improvements to minimize.least_squares:
- Added central differencing option. - Changed `mu` semantics from log10 to actual values. - `mu` control is now more aggressive, saves a few iterations. - Use Armijo sufficient reduction criterion. - Added some checks for float64 and NaNs. - Added log of final result to trace. - Removed unhelpful QP timing. PiperOrigin-RevId: 610096950 Change-Id: Idf1a7c3155ce8e82fc2d5fe0f2da2f16636ff63d
This commit is contained in:
committed by
Copybara-Service
parent
c6a41fbfe6
commit
03a8fa9ca9
+148
-81
@@ -39,9 +39,9 @@ class Status(enum.Enum):
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_STATUS_MESSAGE = {
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Status.FACTORIZATION_FAILED: 'factorization failed.',
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Status.NO_IMPORVEMENT: 'no improvement found.',
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Status.NO_IMPORVEMENT: 'insufficient reduction.',
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Status.MAX_ITER: 'maximum iterations reached.',
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Status.DX_TOL: 'norm(step) < tolerance.',
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Status.DX_TOL: 'norm(dx) < tol.',
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}
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@@ -72,7 +72,9 @@ def jacobian_fd(
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residual: Callable[[np.ndarray], np.ndarray],
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x: np.ndarray,
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r: np.ndarray,
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eps: float,
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eps: np.float64,
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central: bool,
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n_res: int,
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bounds: Optional[List[np.ndarray]] = None,
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):
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"""Finite-difference Jacobian of a residual function.
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@@ -82,37 +84,74 @@ def jacobian_fd(
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x: point at which to evaluate the Jacobian.
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r: residual at x.
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eps: finite-difference step size.
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bounds: optional pair of lower and upper bounds of the solution.
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central: whether to use central differences.
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n_res: number or residual evaluations so far.
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bounds: optional pair of lower and upper bounds.
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Returns:
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jac: Jacobian of the residual at x.
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n_res: updated number of residual evaluations.
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"""
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nx = x.size
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nr = r.size
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jac = np.zeros((nr, nx))
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xh = x.copy()
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for i in range(nx):
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if bounds is not None:
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# Have bounds: scale eps, don't cross bounds.
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lower, upper = bounds
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eps_i = eps * (upper[i] - lower[i])
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if xh[i] < upper[i] - eps_i:
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# Not near upper bound, use forward.
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xh[i] += eps_i
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rh = residual(xh)
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jac[:, i] = (rh - r) / eps_i
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if bounds is None:
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# No bounds, simple forward or central differencing.
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for i in range(nx):
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xh[i] = x[i] + eps
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rp = residual(xh)
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if central:
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xh[i] = x[i] - eps
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rm = residual(xh)
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jac[:, i] = (rp - rm) / (2*eps)
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else:
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# Near upper bound, use backward.
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xh[i] -= eps_i
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rh = residual(xh)
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jac[:, i] = (r - rh) / eps_i
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else:
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# No bounds, just use forward fin-diff.
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xh[i] += eps
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rh = residual(xh)
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jac[:, i] = (rh - r) / eps
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xh[i] = x[i]
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return jac
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jac[:, i] = (rp - r) / eps
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xh[i] = x[i]
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n_res += 2*nx if central else nx
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else:
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lower, upper = bounds
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midpoint = 0.5 * (upper - lower)
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for i in range(nx):
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# Scale eps, don't cross bounds.
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eps_i = eps * (upper[i] - lower[i])
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if central:
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# Use central differencing if away from bounds.
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if x[i] - eps_i < lower[i]:
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# Near lower bound, use forward.
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xh[i] = x[i] + eps_i
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rp = residual(xh)
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jac[:, i] = (rp - r) / eps_i
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n_res += 1
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elif x[i] + eps_i > upper[i]:
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# Near upper bound, use backward.
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xh[i] = x[i] - eps_i
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rm = residual(xh)
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jac[:, i] = (r - rm) / eps_i
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n_res += 1
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else:
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# Use central.
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xh[i] = x[i] + eps_i
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rp = residual(xh)
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xh[i] = x[i] - eps_i
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rm = residual(xh)
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jac[:, i] = (rp - rm) / (2*eps_i)
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n_res += 2
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else:
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# Below midpoint use forward differencing, otherwise backward.
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if x[i] < midpoint[i]:
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xh[i] = x[i] + eps_i
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rp = residual(xh)
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jac[:, i] = (rp - r) / eps_i
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else:
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xh[i] = x[i] - eps_i
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rm = residual(xh)
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jac[:, i] = (r - rm) / eps_i
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n_res += 1
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# Reset.
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xh[i] = x[i]
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return jac, n_res
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def least_squares(
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@@ -120,13 +159,14 @@ def least_squares(
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residual: Callable[[np.ndarray], np.ndarray],
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bounds: Optional[List[np.ndarray]] = None,
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jacobian: Optional[Callable[[np.ndarray, np.ndarray], np.ndarray]] = None,
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eps: Optional[float] = -6,
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mu_min: Optional[float] = -6,
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mu_max: Optional[float] = 8,
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mu_delta: Optional[float] = 0.5,
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tol: Optional[float] = 1e-7,
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max_iter: Optional[int] = 100,
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verbose: Optional[Union[Verbosity, int]] = Verbosity.ITER,
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eps: float = 1e-6,
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central: bool = False,
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mu_min: float = 1e-6,
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mu_max: float = 1e8,
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mu_factor: float = 10.0**0.1,
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tol: float = 1e-7,
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max_iter: int = 100,
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verbose: Union[Verbosity, int] = Verbosity.ITER,
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output: Optional[TextIO] = None,
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) -> Tuple[np.ndarray, List[IterLog]]:
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"""Nonlinear Least Squares minimization with box bounds.
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@@ -137,10 +177,11 @@ def least_squares(
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bounds: optional pair of lower and upper bounds on the solution.
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jacobian: optional function that returns Jacobian of the residual at a given
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point and residual. If not given, `residual` will be finite-differenced.
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eps: log10 of the perurbation used for automatic finite-differencing.
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mu_min: log10 of the minimum value of the regularizer.
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mu_max: log10 of the maximum value of the regularizer.
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mu_delta: log10 of the factor increasing or decreasing the regularizer.
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eps: perurbation used for automatic finite-differencing.
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central: whether to use central differences.
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mu_min: minimum value of the regularizer.
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mu_max: maximum value of the regularizer.
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mu_factor: factor increasing or decreasing the regularizer.
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tol: termination tolerance on the step size.
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max_iter: maximum number of iterations.
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verbose: verbosity level.
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@@ -155,29 +196,43 @@ def least_squares(
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# Convert verbosity to int.
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verbose = Verbosity(verbose).value
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# Constant for Armijo's sufficient-reduction rule
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armijo_c1 = 1e-2
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# Initialize locals.
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x = x0.copy()
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mu = -np.inf # Optimistically start with no regularization.
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n = x.size
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status = Status.MAX_ITER
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i = 0
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trace = []
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x = x0.astype(np.float64)
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n = x.size
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xnew = np.zeros((n,))
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dx = np.zeros((n,))
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scratch = np.zeros((n, n + 7))
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dx_norm = 0.0
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xnew = np.zeros((n,))
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status = Status.MAX_ITER
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eps = np.float64(eps)
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mu = np.float64(0.0) # Optimistically start with no regularization.
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n_reduc = 0 # Number of sequential mu reductions.
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# Initialize logging.
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trace = []
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n_res = 0
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n_jac = 0
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t_res = 0.0
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t_jac = 0.0
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t_qp = 0.0
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# Regularization control functions.
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if mu_factor <= 1:
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raise ValueError('mu_factor must be > 1.')
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# Decrease mu agressively: sequential decreases grow exponentially.
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def decrease_mu(mu, n_reduc):
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dmu = (1/mu_factor) ** (2**n_reduc)
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mu = 0.0 if mu * dmu < mu_min else mu * dmu
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n_reduc += 1
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return mu, n_reduc
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# Increase mu carefully: always increase by mu_factor.
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def increase_mu(mu):
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return min(mu_max, max(mu_min, mu_delta + mu))
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def decrease_mu(mu):
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return -np.inf if mu - mu_delta < mu_min else mu - mu_delta
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mu = max(mu_min, mu_factor * mu)
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n_reduc = 0 # Reset n_reduc.
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return mu, n_reduc
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if bounds is not None:
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# Checks bounds.
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@@ -192,6 +247,10 @@ def least_squares(
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# Clip.
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np.clip(x, bounds[0], bounds[1], out=x)
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# Check for NaNs.
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if not np.all(np.isfinite(x)):
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raise ValueError('x0 must be finite.')
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# Get initial residual.
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t_start = time.time()
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r = residual(x)
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@@ -199,6 +258,9 @@ def least_squares(
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t_res += time.time() - t_start
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n_res += 1
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if r.dtype != np.float64:
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raise ValueError('residual function must return float64 arrays.')
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# Minimize.
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for i in range(max_iter):
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if status != Status.MAX_ITER:
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@@ -210,9 +272,8 @@ def least_squares(
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# Get Jacobian jac.
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t_start = time.time()
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if jacobian is None:
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jac = jacobian_fd(residual, x, r, 10**eps, bounds)
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jac, n_res = jacobian_fd(residual, x, r, eps, central, n_res, bounds)
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t_res += time.time() - t_start
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n_res += n
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else:
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jac = jacobian(x, r)
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t_jac += time.time() - t_start
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@@ -221,31 +282,28 @@ def least_squares(
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# Get gradient, Gauss-Newton Hessian.
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grad = jac.T @ r
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hess = jac.T @ jac
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gnorm = np.linalg.norm(grad)
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# Bounds relative to x
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dbounds = [None, None] if bounds is None else [bounds[0] - x, bounds[1] - x]
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dlower = None if bounds is None else bounds[0] - x
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dupper = None if bounds is None else bounds[1] - x
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# Find some reduction.
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reduction = -1
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while reduction < 0:
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# Increase mu until factorizabl.
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# Find reduction satisfying Armijo's rule.
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armijo = -1
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reduction = 0.0
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while armijo < 0:
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# Increase mu until factorizable.
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factorizable = False
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while not factorizable:
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# Formula from https://arxiv.org/abs/2112.02089
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reg = np.sqrt(gnorm * 10**mu) * np.eye(n)
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t_start = time.time()
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nfree = mujoco.mju_boxQP(
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dx, scratch, None, hess + reg, grad, dbounds[0], dbounds[1]
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n_free = mujoco.mju_boxQP(
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dx, scratch, None, hess + mu * np.eye(n), grad, dlower, dupper
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)
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t_qp += time.time() - t_start
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if nfree > -1:
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if n_free >= 0:
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factorizable = True
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elif mu >= mu_max:
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status = Status.FACTORIZATION_FAILED
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break
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else:
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mu += mu_delta
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mu, n_reduc = increase_mu(mu)
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if status != Status.MAX_ITER:
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break
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@@ -260,12 +318,13 @@ def least_squares(
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# New objective, evaluate reduction.
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ynew = 0.5 * rnew.dot(rnew)
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reduction = y - ynew
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armijo = reduction + armijo_c1*grad.dot(dx)
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if reduction < 0:
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if armijo < 0:
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if mu >= mu_max:
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status = Status.NO_IMPORVEMENT
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break
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mu = increase_mu(mu)
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mu, n_reduc = increase_mu(mu)
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if status != Status.MAX_ITER:
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break
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@@ -273,19 +332,23 @@ def least_squares(
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# Compute reduction ratio.
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expected_reduction = -(grad.dot(dx) + 0.5 * dx.T @ hess @ dx)
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reduction_ratio = 0.0
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if expected_reduction == 0:
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print('Zero expected reduction: exact minimum found?', file=output)
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elif expected_reduction < 0:
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print('Negative expected reduction: should not occur.', file=output)
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if expected_reduction <= 0:
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if verbose > Verbosity.SILENT.value:
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if expected_reduction == 0:
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print('Zero expected reduction: exact minimum found?', file=output)
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elif expected_reduction < 0:
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print('Negative expected reduction: should not occur.', file=output)
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else:
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reduction_ratio = reduction / expected_reduction
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# Iteration message.
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dx_norm = np.linalg.norm(dx)
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if verbose >= Verbosity.ITER.value:
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logmu = np.log10(mu) if mu > 0 else -np.inf
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message = (
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f'iter: {i:<3d} y: {y:<8.3g} mu: {mu:>4.1f} '
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f'ratio: {reduction_ratio:<5.2g} '
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f'dx: {dx_norm:<8.3g} reduction: {reduction:<8.3g}'
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f'iter: {i:<3d} y: {y:<9.4g} log10mu: {logmu:>4.1f} '
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f'ratio: {reduction_ratio:<7.2g} '
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f'dx: {dx_norm:<7.2g} reduction: {reduction:<7.2g}'
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)
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print(message, file=output)
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@@ -296,39 +359,43 @@ def least_squares(
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trace.append(log)
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# Check for success.
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dx_norm = np.linalg.norm(dx)
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if dx_norm < tol:
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status = Status.DX_TOL
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break
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# Modify regularizer like in (Bazaraa, Sherali, and Shetty)
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if reduction_ratio > 0.75:
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mu = decrease_mu(mu)
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mu, n_reduc = decrease_mu(mu, n_reduc)
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elif reduction_ratio < 0.25:
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mu = increase_mu(mu)
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mu, n_reduc = increase_mu(mu)
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# Accept proposal.
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x = xnew
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r = rnew
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# Append final log to trace.
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# Note: unlike other iter logs, this is at the end point.
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yfinal = 0.5 * r.dot(r)
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red = np.float64(0.0)
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log = IterLog(candidate=x, objective=yfinal, reduction=red, regularizer=mu)
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trace.append(log)
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# Print final diagnostics.
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if verbose > Verbosity.SILENT.value:
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message = f'Terminated after {i} iterations: '
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message += _STATUS_MESSAGE[status]
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message += f' Residual evals: {n_res:d}'
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message += f' y: {yfinal:<.4g}, Residual evals: {n_res:d}'
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if n_jac > 0:
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message += f', Jacobian evals: {n_jac:d}'
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print(message, file=output)
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time_total = time.time() - t_start_total
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if time_total > 0:
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qp_percent = 100 * t_qp / time_total
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r_percent = 100 * t_res / time_total
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time_scale = 1 if time_total > 1 else 1000
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time_units = 's' if time_total > 1 else 'ms'
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message = f'total time {time_scale * time_total:<.1f}{time_units}'
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message += f' of which QP {qp_percent:<.1f}%, residual {r_percent:<.1f}%'
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message += f' of which residual {r_percent:<.1f}%'
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if t_jac > 0:
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jac_percent = 100 * t_jac / time_total
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message += f' Jacobian {jac_percent:<.1f}%'
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@@ -25,18 +25,19 @@ import numpy as np
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class MinimizeTest(absltest.TestCase):
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def test_basic(self) -> None:
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def residual(x: np.ndarray) -> float:
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return np.array([1 - x[0], 10 * (x[1] - x[0] ** 2)])
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def residual(x: np.ndarray) -> np.ndarray:
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return np.array([1 - x[0], 10 * (x[1] - x[0] ** 2)], dtype=np.float64)
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out = io.StringIO()
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x0 = np.array((0.0, 0.0))
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x, _ = minimize.least_squares(x0, residual, output=out)
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expected_x = np.array((1.0, 1.0))
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np.testing.assert_array_almost_equal(x, expected_x)
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self.assertContainsSubsequence(out.getvalue(), 'norm(step) < tol')
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for central in [False, True]:
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out = io.StringIO()
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x0 = np.array((0.0, 0.0))
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x, _ = minimize.least_squares(x0, residual, output=out, central=central)
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expected_x = np.array((1.0, 1.0))
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np.testing.assert_array_almost_equal(x, expected_x)
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self.assertContainsSubsequence(out.getvalue(), 'norm(dx) < tol')
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def test_start_at_minimum(self) -> None:
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def residual(x: np.ndarray) -> float:
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def residual(x: np.ndarray) -> np.ndarray:
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return np.array([1 - x[0], 10 * (x[1] - x[0] ** 2)])
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out = io.StringIO()
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@@ -44,11 +45,11 @@ class MinimizeTest(absltest.TestCase):
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x, _ = minimize.least_squares(x0, residual, output=out)
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expected_x = np.array((1.0, 1.0))
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np.testing.assert_array_almost_equal(x, expected_x)
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self.assertContainsSubsequence(out.getvalue(), 'norm(step) < tol')
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self.assertContainsSubsequence(out.getvalue(), 'norm(dx) < tol')
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||||
self.assertContainsSubsequence(out.getvalue(), 'exact minimum found')
|
||||
|
||||
def test_jac_callback(self) -> None:
|
||||
def residual(x: np.ndarray) -> float:
|
||||
def residual(x: np.ndarray) -> np.ndarray:
|
||||
return np.array([1 - x[0], 10 * (x[1] - x[0] ** 2)])
|
||||
|
||||
def jacobian(x: np.ndarray, r: np.ndarray) -> Tuple[float, np.ndarray]:
|
||||
@@ -60,19 +61,19 @@ class MinimizeTest(absltest.TestCase):
|
||||
x, _ = minimize.least_squares(x0, residual, jacobian=jacobian, output=out)
|
||||
expected_x = np.array((1.0, 1.0))
|
||||
np.testing.assert_array_almost_equal(x, expected_x)
|
||||
self.assertContainsSubsequence(out.getvalue(), 'norm(step) < tol')
|
||||
self.assertContainsSubsequence(out.getvalue(), 'norm(dx) < tol')
|
||||
|
||||
# Try with bad Jacobian, expect no improvement.
|
||||
def jac_bad1(x: np.ndarray, r: np.ndarray) -> Tuple[float, np.ndarray]:
|
||||
return -jacobian(x, r)
|
||||
out1 = io.StringIO()
|
||||
minimize.least_squares(x0, residual, jacobian=jac_bad1, output=out1)
|
||||
self.assertContainsSubsequence(out1.getvalue(), 'no improvement found.')
|
||||
self.assertContainsSubsequence(out1.getvalue(), 'insufficient reduction')
|
||||
|
||||
def test_max_iter(self) -> None:
|
||||
dim = 20 # High-D Rosenbrock
|
||||
|
||||
def residual(x: np.ndarray) -> float:
|
||||
def residual(x: np.ndarray) -> np.ndarray:
|
||||
res0 = [1 - x[i] for i in range(dim - 1)]
|
||||
res1 = [10 * (x[i] - x[i + 1] ** 2) for i in range(dim - 1)]
|
||||
return np.asarray(res0 + res1)
|
||||
@@ -89,7 +90,7 @@ class MinimizeTest(absltest.TestCase):
|
||||
np.testing.assert_array_almost_equal(x, expected_x)
|
||||
|
||||
def test_bounds(self) -> None:
|
||||
def residual(x: np.ndarray) -> float:
|
||||
def residual(x: np.ndarray) -> np.ndarray:
|
||||
return np.array([1 - x[0], 10 * (x[1] - x[0] ** 2)])
|
||||
|
||||
out = io.StringIO()
|
||||
@@ -104,27 +105,35 @@ class MinimizeTest(absltest.TestCase):
|
||||
x, _ = minimize.least_squares(x0, residual, bounds=bounds_types['inbounds'],
|
||||
output=out)
|
||||
np.testing.assert_array_almost_equal(x, expected_x)
|
||||
self.assertContainsSubsequence(out.getvalue(), 'norm(step) < tol')
|
||||
self.assertContainsSubsequence(out.getvalue(), 'norm(dx) < tol')
|
||||
|
||||
# Test different bounds conditions.
|
||||
verbose = minimize.Verbosity.FULLITER
|
||||
for bounds in bounds_types.values():
|
||||
out = io.StringIO()
|
||||
x, trace = minimize.least_squares(x0, residual, bounds=bounds, output=out,
|
||||
verbose=verbose)
|
||||
self.assertContainsSubsequence(out.getvalue(), 'norm(step) < tol')
|
||||
grad = trace[-1].jacobian.T @ trace[-1].residual
|
||||
# If x_i is on the boundary, gradient points out, otherwise it is 0.
|
||||
for i, xi in enumerate(x):
|
||||
if xi == bounds[0][i]:
|
||||
self.assertGreater(grad[i], 0)
|
||||
elif xi == bounds[1][i]:
|
||||
self.assertLess(grad[i], 0)
|
||||
else:
|
||||
self.assertAlmostEqual(grad[i], 0, places=4)
|
||||
|
||||
for central in [False, True]:
|
||||
for bounds in bounds_types.values():
|
||||
out = io.StringIO()
|
||||
x, trace = minimize.least_squares(
|
||||
x0,
|
||||
residual,
|
||||
bounds=bounds,
|
||||
output=out,
|
||||
central=central,
|
||||
verbose=verbose,
|
||||
)
|
||||
self.assertContainsSubsequence(out.getvalue(), ' < tol')
|
||||
grad = trace[-2].jacobian.T @ trace[-2].residual
|
||||
# If x_i is on the boundary, gradient points out, otherwise it is 0.
|
||||
for i, xi in enumerate(x):
|
||||
if xi == bounds[0][i]:
|
||||
self.assertGreater(grad[i], 0)
|
||||
elif xi == bounds[1][i]:
|
||||
self.assertLess(grad[i], 0)
|
||||
else:
|
||||
self.assertAlmostEqual(grad[i], 0, places=4)
|
||||
|
||||
def test_bad_bounds(self) -> None:
|
||||
def residual(x: np.ndarray) -> float:
|
||||
def residual(x: np.ndarray) -> np.ndarray:
|
||||
return np.array([1 - x[0], 10 * (x[1] - x[0] ** 2)])
|
||||
|
||||
out = io.StringIO()
|
||||
|
||||
Reference in New Issue
Block a user