Source code for botorch.test_functions.multi_fidelity

#!/usr/bin/env python3
# Copyright (c) Meta Platforms, Inc. and affiliates.
#
# This source code is licensed under the MIT license found in the
# LICENSE file in the root directory of this source tree.

r"""
Synthetic functions for multi-fidelity optimization benchmarks.

References:

.. [Chen2024]
    Chen, Y., et al. A latent variable approach for non-hierarchical
    multi-fidelity adaptive sampling. Computer Methods in Applied Mechanics
    and Engineering 421 (2024).
"""

from __future__ import annotations

import math

import torch
from botorch.test_functions.synthetic import SyntheticTestFunction
from torch import Tensor


[docs] class AugmentedBranin(SyntheticTestFunction): r"""Augmented Branin test function for multi-fidelity optimization. 3-dimensional function with domain ``[-5, 10] x [0, 15] * [0,1]``, where the last dimension of is the fidelity parameter: B(x) = (x_2 - (b - 0.1 * (1 - x_3))x_1^2 + c x_1 - r)^2 + 10 (1-t) cos(x_1) + 10 Here ``b``, ``c``, ``r`` and ``t`` are constants where ``b = 5.1 / (4 * math.pi ** 2)`` ``c = 5 / math.pi``, ``r = 6``, ``t = 1 / (8 * math.pi)``. B has infinitely many minimizers with ``x_1 = -pi, pi, 3pi`` and ``B_min = 0.397887`` """ dim = 3 continuous_inds = list(range(dim)) _bounds = [(-5.0, 10.0), (0.0, 15.0), (0.0, 1.0)] _optimal_value = 0.397887 _optimizers = [ # this is a subset, there are infinitely many optimizers (-math.pi, 12.275, 1), (math.pi, 1.3867356039019576, 0.1), (math.pi, 1.781519779945532, 0.5), (math.pi, 2.1763039559891064, 0.9), ] def _evaluate_true(self, X: Tensor) -> Tensor: t1 = ( X[..., 1] - (5.1 / (4 * math.pi**2) - 0.1 * (1 - X[..., 2])) * X[..., 0].pow(2) + 5 / math.pi * X[..., 0] - 6 ) t2 = 10 * (1 - 1 / (8 * math.pi)) * torch.cos(X[..., 0]) return t1.pow(2) + t2 + 10
[docs] class AugmentedHartmann(SyntheticTestFunction): r"""Augmented Hartmann synthetic test function. 7-dimensional function (typically evaluated on ``[0, 1]^7``), where the last dimension is the fidelity parameter. H(x) = -(ALPHA_1 - 0.1 * (1-x_7)) * exp(- sum_{j=1}^6 A_1j (x_j - P_1j) ** 2) - sum_{i=2}^4 ALPHA_i exp( - sum_{j=1}^6 A_ij (x_j - P_ij) ** 2) H has a unique global minimizer ``x = [0.20169, 0.150011, 0.476874, 0.275332, 0.311652, 0.6573, 1.0]`` with ``H_min = -3.32237`` """ dim = 7 continuous_inds = list(range(dim)) _bounds = [(0.0, 1.0) for _ in range(dim)] _optimal_value = -3.32237 _optimizers = [(0.20169, 0.150011, 0.476874, 0.275332, 0.311652, 0.6573, 1.0)] _check_grad_at_opt = False def __init__( self, noise_std: float | None = None, negate: bool = False, dtype: torch.dtype = torch.double, ) -> None: r""" Args: noise_std: Standard deviation of the observation noise. negate: If True, negate the function. dtype: The dtype that is used for the bounds of the function. """ super().__init__(noise_std=noise_std, negate=negate, dtype=dtype) self.register_buffer("ALPHA", torch.tensor([1.0, 1.2, 3.0, 3.2])) A = [ [10, 3, 17, 3.5, 1.7, 8], [0.05, 10, 17, 0.1, 8, 14], [3, 3.5, 1.7, 10, 17, 8], [17, 8, 0.05, 10, 0.1, 14], ] P = [ [1312, 1696, 5569, 124, 8283, 5886], [2329, 4135, 8307, 3736, 1004, 9991], [2348, 1451, 3522, 2883, 3047, 6650], [4047, 8828, 8732, 5743, 1091, 381.0], ] self.register_buffer("A", torch.tensor(A)) self.register_buffer("P", torch.tensor(P)) def _evaluate_true(self, X: Tensor) -> Tensor: self.to(device=X.device, dtype=X.dtype) inner_sum = torch.sum( self.A * (X[..., :6].unsqueeze(-2) - 0.0001 * self.P).pow(2), dim=-1 ) alpha1 = self.ALPHA[0] - 0.1 * (1 - X[..., 6]) H = ( -(torch.sum(self.ALPHA[1:] * torch.exp(-inner_sum)[..., 1:], dim=-1)) - alpha1 * torch.exp(-inner_sum)[..., 0] ) return H
[docs] class AugmentedRosenbrock(SyntheticTestFunction): r"""Augmented Rosenbrock synthetic test function for multi-fidelity optimization. d-dimensional function (usually evaluated on ``[-5, 10]^(d-2) * [0, 1]^2``), where the last two dimensions are the fidelity parameters: f(x) = sum_{i=1}^{d-1} (100 (x_{i+1} - x_i^2 + 0.1 * (1-x_{d-1}))^2 + (x_i - 1 + 0.1 * (1 - x_d)^2)^2) f has one minimizer for its global minimum at ``z_1 = (1, 1, ..., 1)`` with ``f(z_i) = 0.0``. """ _optimal_value = 0.0 def __init__( self, dim: int = 3, noise_std: float | None = None, negate: bool = False, dtype: torch.dtype = torch.double, ) -> None: r""" Args: dim: The (input) dimension. Must be at least 3. noise_std: Standard deviation of the observation noise. negate: If True, negate the function. dtype: The dtype that is used for the bounds of the function. """ if dim < 3: raise ValueError( "AugmentedRosenbrock must be defined in at least 3 dimensions" ) self.dim = dim self.continuous_inds = list(range(dim)) self._bounds = [(-5.0, 10.0) for _ in range(self.dim - 2)] + [ (0.0, 1.0) for _ in range(2) ] self._optimizers = [tuple(1.0 for _ in range(self.dim))] super().__init__(noise_std=noise_std, negate=negate, dtype=dtype) def _evaluate_true(self, X: Tensor) -> Tensor: X_curr = X[..., :-3] X_next = X[..., 1:-2] t1 = 100 * (X_next - X_curr.pow(2) + 0.1 * (1 - X[..., -2:-1])).pow(2) t2 = (X_curr - 1 + 0.1 * (1 - X[..., -1:]).pow(2)).pow(2) return (t1 + t2).sum(dim=-1)
[docs] class WingWeightMultiFidelity(SyntheticTestFunction): """Wing Weight Design Problem from [Chen2024]_. Design variables (physical units): 1. s_w in [150, 200] (wing area) 2. w_fw in [220, 300] (fuel weight) 3. A in [6, 10] (aspect ratio) 4. Lambda_deg in [-10, 10] (sweep angle, degrees) 5. q in [16, 45] (dynamic pressure) 6. lam in [0.5, 1.0] (taper ratio) 7. t_c in [0.08, 0.18] (thickness-to-chord) 8. N_z in [2.5, 6.0] (ultimate load factor) 9. w_dg in [1700, 2500] (design gross weight) 10. w_pp in [0.025, 0.08] (weight per unit area) Fidelity parameter (stored as the 11th input): 0: High fidelity (HF) 1: Low fidelity 1 (LF1) 2: Low fidelity 2 (LF2) 3: Low fidelity 3 (LF3) LF models use slightly altered exponents and additive biases. """ dim = 11 continuous_inds = list(range(dim)) _num_fidelities = 1 _bounds = [ (150.0, 200.0), # s_w (220.0, 300.0), # w_fw (6.0, 10.0), # A (-10.0, 10.0), # Lambda_deg (16.0, 45.0), # q (0.5, 1.0), # lam (0.08, 0.18), # t_c (2.5, 6.0), # N_z (1700.0, 2500.0), # w_dg (0.025, 0.08), # w_pp (0, 3), # fidelity ] fidelities = [0, 1, 2, 3] _optimal_value = 123.25 def _evaluate_true(self, X: torch.Tensor) -> Tensor: s_w, w_fw, A, Lambda_deg, q, lam, t_c, N_z, w_dg, w_pp, fidelity = X.unbind( dim=-1 ) Lambda_rad = Lambda_deg * math.pi / 180.0 cos_val = torch.cos(Lambda_rad) y = torch.zeros_like(s_w) shared_multiplier = ( 0.036 * q**0.006 * lam**0.04 * (A / (cos_val**2)) ** 0.6 * (100.0 * t_c / cos_val) ** (-0.3) * (N_z * w_dg) ** 0.49 * (w_fw**0.0035) ) # High fidelity (fidelity == 0) mask = fidelity == 0 if mask.any(): hf = s_w**0.758 * shared_multiplier + s_w * w_pp y[mask] = hf[mask] # Low fidelity 1 (fidelity == 1) mask = fidelity == 1 if mask.any(): lf1 = s_w**0.758 * shared_multiplier + w_pp y[mask] = lf1[mask] # Low fidelity 2 (fidelity == 2) mask = fidelity == 2 if mask.any(): lf2 = s_w**0.8 * shared_multiplier + w_pp y[mask] = lf2[mask] # Low fidelity 3 (fidelity == 3) mask = fidelity == 3 if mask.any(): lf3 = s_w**0.9 * shared_multiplier y[mask] = lf3[mask] return y
[docs] def cost(self, X: torch.Tensor) -> Tensor: fidelity = X[..., 10] c = torch.zeros_like(fidelity) c[fidelity == 0] = 1000.0 c[fidelity == 1] = 100.0 c[fidelity == 2] = 10.0 c[fidelity == 3] = 1.0 return c
[docs] class BoreholeMultiFidelity(SyntheticTestFunction): """Borehole Problem from [Chen2024]_. This problem models water flow through a borehole with 8 design variables: 1. r_w in [0.05, 0.15] (borehole radius) 2. r in [100, 50000] (radius of influence) 3. T_u in [63070, 115600] (transmissivity of upper aquifer) 4. T_l in [63.1, 116] (transmissivity of lower aquifer) 5. H_u in [990, 1110] (potentiometric head of upper aquifer) 6. H_l in [700, 820] (potentiometric head of lower aquifer) 7. L in [1120, 1680] (length of borehole) 8. K_w in [9855, 12045] (hydraulic conductivity) The fidelity index (9th input) is categorical: 0: High fidelity (HF) 1: Low fidelity 1 (LF1) 2: Low fidelity 2 (LF2) 3: Low fidelity 3 (LF3) 4: Low fidelity 4 (LF4) The low-fidelity models modify exponents and add a bias. """ dim = 9 continuous_inds = list(range(dim)) _num_fidelities = 1 _bounds = [ (0.05, 0.15), # r_w (100.0, 10000.0), # r (100.0, 1000.0), # T_u (10.0, 500.0), # T_l (990.0, 1110.0), # H_u (700.0, 820.0), # H_l (1000.0, 2000.0), # L (6000.0, 12000.0), # K_w (0, 4), # fidelity ] fidelities = [0, 1, 2, 3, 4] _optimal_value = 3.98 def _evaluate_true(self, X: torch.Tensor) -> torch.Tensor: r_w, r, T_u, T_l, H_u, H_l, L, K_w, fidelity = X.unbind(dim=-1) LTu = L * T_u two_pi_T_u = 2.0 * math.pi * T_u log_term = torch.log(r / r_w) denom = log_term * (r_w**2) * K_w numer = two_pi_T_u * (H_u - H_l) T_u_over_T_l = T_u / T_l y = torch.zeros_like(r_w) # HF (fidelity 0) mask = fidelity == 0 if mask.any(): hf_denom = log_term * (1.0 + (2.0 * LTu) / denom + T_u_over_T_l) hf = numer / hf_denom y[mask] = hf[mask] # LF1 (fidelity 1): add bias. mask = fidelity == 1 if mask.any(): lf1_numer = two_pi_T_u * (H_u - 0.8 * H_l) lf1_denom = log_term * (1.0 + LTu / denom + T_u_over_T_l) lf1 = lf1_numer / lf1_denom y[mask] = lf1[mask] # LF2 (fidelity 2): modify the exponent on log_term and add bias. mask = fidelity == 2 if mask.any(): lf2_denom = log_term * (1.0 + (8 * LTu) / denom + 0.75 * T_u_over_T_l) lf2 = numer / lf2_denom y[mask] = lf2[mask] # LF3 (fidelity 3): modify r_w exponent slightly. mask = fidelity == 3 if mask.any(): lf3_log_term = torch.log(4 * r / r_w) lf3_numer = two_pi_T_u * (1.09 * H_u - H_l) lf3_denom = lf3_log_term * (1.0 + (3 * LTu) / denom + T_u_over_T_l) lf3 = lf3_numer / lf3_denom y[mask] = lf3[mask] # LF4 (fidelity 4): further bias. mask = fidelity == 4 if mask.any(): lf4_log_term = torch.log(2 * r / r_w) lf4_numer = two_pi_T_u * (1.05 * H_u - H_l) lf4_denom = lf4_log_term * (1.0 + (3 * LTu) / denom + T_u_over_T_l) lf4 = lf4_numer / lf4_denom y[mask] = lf4[mask] return y
[docs] def cost(self, X: torch.Tensor) -> torch.Tensor: fidelity = X[..., 8] c = torch.zeros_like(fidelity) c[fidelity == 0] = 1000.0 c[fidelity == 1] = 100.0 c[fidelity == 2] = 10.0 c[fidelity == 3] = 100.0 c[fidelity == 4] = 10.0 return c