from typing import Callable, Union, List, Tuple from jax import vmap, Array, numpy as jnp import numpy as np from .func_fit import FuncFit class CustomFuncFit(FuncFit): def __init__( self, func: Callable, low_bounds: Union[List, Tuple, Array], upper_bounds: Union[List, Tuple, Array], method: str = "sample", num_samples: int = 100, step_size: Array = None, *args, **kwargs, ): if isinstance(low_bounds, list) or isinstance(low_bounds, tuple): low_bounds = np.array(low_bounds, dtype=np.float32) if isinstance(upper_bounds, list) or isinstance(upper_bounds, tuple): upper_bounds = np.array(upper_bounds, dtype=np.float32) try: out = func(low_bounds) except Exception as e: raise ValueError(f"func(low_bounds) raise an exception: {e}") assert low_bounds.shape == upper_bounds.shape assert method in {"sample", "grid"} self.func = func self.low_bounds = low_bounds self.upper_bounds = upper_bounds self.method = method self.num_samples = num_samples self.step_size = step_size self.generate_dataset() super().__init__(*args, **kwargs) def generate_dataset(self): if self.method == "sample": assert ( self.num_samples > 0 ), f"num_samples must be positive, got {self.num_samples}" inputs = np.zeros( (self.num_samples, self.low_bounds.shape[0]), dtype=np.float32 ) for i in range(self.low_bounds.shape[0]): inputs[:, i] = np.random.uniform( low=self.low_bounds[i], high=self.upper_bounds[i], size=(self.num_samples,), ) elif self.method == "grid": assert ( self.step_size is not None ), "step_size must be provided when method is 'grid'" assert ( self.step_size.shape == self.low_bounds.shape ), "step_size must have the same shape as low_bounds" assert np.all(self.step_size > 0), "step_size must be positive" inputs = np.zeros((1, 1)) for i in range(self.low_bounds.shape[0]): new_col = np.arange( self.low_bounds[i], self.upper_bounds[i], self.step_size[i] ) inputs = cartesian_product(inputs, new_col[:, None]) inputs = inputs[:, 1:] else: raise ValueError(f"Unknown method: {self.method}") outputs = vmap(self.func)(inputs) self.data_inputs = jnp.array(inputs) self.data_outputs = jnp.array(outputs) @property def inputs(self): return self.data_inputs @property def targets(self): return self.data_outputs @property def input_shape(self): return self.data_inputs.shape @property def output_shape(self): return self.data_outputs.shape def cartesian_product(arr1, arr2): assert ( arr1.ndim == arr2.ndim ), "arr1 and arr2 must have the same number of dimensions" assert arr1.ndim <= 2, "arr1 and arr2 must have at most 2 dimensions" len1 = arr1.shape[0] len2 = arr2.shape[0] repeated_arr1 = np.repeat(arr1, len2, axis=0) tiled_arr2 = np.tile(arr2, (len1, 1)) new_arr = np.concatenate((repeated_arr1, tiled_arr2), axis=1) return new_arr