reflectorch 1.3.0__py3-none-any.whl → 1.5.0__py3-none-any.whl

reflectorch/data_generation/priors/exp_subprior_sampler.py

@@ -1,298 +1,298 @@
-from typing import Tuple, Union, List
-
-import torch
-from torch import Tensor
-
-from reflectorch.data_generation.utils import (
-    uniform_sampler,
-    logdist_sampler,
-)
-
-from reflectorch.data_generation.priors.scaler_mixin import ScalerMixin
-from reflectorch.data_generation.priors.base import PriorSampler
-from reflectorch.data_generation.priors.subprior_sampler import UniformSubPriorParams
-from reflectorch.data_generation.priors.params import Params
-from reflectorch.data_generation.priors.utils import get_max_allowed_roughness
-from reflectorch.data_generation.priors.no_constraints import (
-    DEFAULT_DEVICE,
-    DEFAULT_DTYPE,
-)
-
-
-class ExpUniformSubPriorSampler(PriorSampler, ScalerMixin):
-    PARAM_CLS = UniformSubPriorParams
-
-    def __init__(self,
-                 params: List[Union[float, Tuple[float, float], Tuple[float, float, float, float]]],
-                 device: torch.device = DEFAULT_DEVICE,
-                 dtype: torch.dtype = DEFAULT_DTYPE,
-                 scaled_range: Tuple[float, float] = (-1, 1),
-                 logdist: bool = False,
-                 relative_min_bound_width: float = 1e-4,
-                 smaller_roughnesses: bool = True,
-                 ):
-        self.device = device
-        self.dtype = dtype
-        self.scaled_range = scaled_range
-        self.relative_min_bound_width = relative_min_bound_width
-        self.logdist = logdist
-        self.smaller_roughnesses = smaller_roughnesses
-        self._init_params(*params)
-
-    @property
-    def max_num_layers(self) -> int:
-        return self.num_layers
-
-    def _init_params(self, *params: Union[float, Tuple[float, float], Tuple[float, float, float, float]]):
-        self.num_layers = (len(params) - 2) // 3
-        self._total_num_params = len(params)
-
-        fixed_mask = []
-        bounds = []
-        delta_bounds = []
-        param_dim = 0
-
-        for param in params:
-            if isinstance(param, (float, int)):
-                deltas = (0, 0)
-                param = (param, param)
-                fixed_mask.append(True)
-            else:
-                param_dim += 1
-                fixed_mask.append(False)
-
-                if len(param) == 4:
-                    param, deltas = param[:2], param[2:]
-                else:
-                    max_delta = param[1] - param[0]
-                    deltas = (max_delta * self.relative_min_bound_width, max_delta)
-
-            bounds.append(param)
-            delta_bounds.append(deltas)
-
-        self.fixed_mask = torch.tensor(fixed_mask).to(self.device)
-        self.fitted_mask = ~self.fixed_mask
-        self.roughnesses_mask = torch.zeros_like(self.fitted_mask)
-        self.roughnesses_mask[self.num_layers: self.num_layers * 2 + 1] = True
-
-        self.min_bounds, self.max_bounds = torch.tensor(bounds).to(self.device).to(self.dtype).T
-        self.min_deltas, self.max_deltas = map(torch.atleast_2d, torch.tensor(delta_bounds).to(self.min_bounds).T)
-        self._param_dim = param_dim
-        self._num_fixed = self.fixed_mask.sum()
-
-        self.fixed_params = self.min_bounds[self.fixed_mask]
-
-    @property
-    def param_dim(self) -> int:
-        return self._param_dim
-
-    def sample(self, batch_size: int) -> UniformSubPriorParams:
-        min_bounds, max_bounds = self.sample_bounds(batch_size)
-
-        params = torch.rand(
-            *min_bounds.shape,
-            device=self.device,
-            dtype=self.dtype
-        ) * (max_bounds - min_bounds) + min_bounds
-
-        thicknesses, roughnesses, slds = torch.split(
-            params, [self.max_num_layers, self.max_num_layers + 1, self.max_num_layers + 1], dim=-1
-        )
-
-        if self.smaller_roughnesses:
-            fitted_r_mask = self.fitted_mask.clone()
-            fitted_r_mask[~self.roughnesses_mask] = False
-
-            min_roughness = self.min_bounds[fitted_r_mask]
-            max_roughness = torch.clamp(
-                get_max_allowed_roughness(thicknesses)[..., self.fitted_mask[self.roughnesses_mask]],
-                min_roughness,
-                self.max_bounds[fitted_r_mask]
-            )
-
-            min_vector = self.min_bounds.clone()[None].repeat(batch_size, 1)
-            max_vector = self.max_bounds.clone()[None].repeat(batch_size, 1)
-
-            max_vector[..., fitted_r_mask] = max_roughness
-
-            assert torch.all(max_vector[..., fitted_r_mask] == max_roughness)
-
-            min_deltas = self.min_deltas.clone().repeat(batch_size, 1)
-            max_deltas = self.max_deltas.clone().repeat(batch_size, 1)
-
-            max_deltas[..., fitted_r_mask] = torch.clamp_max(
-                max_deltas[..., fitted_r_mask],
-                max_roughness - min_roughness,
-            )
-
-            fitted_mask = torch.zeros_like(self.fitted_mask)
-            fitted_mask[fitted_r_mask] = True
-
-            updated_min_bounds, updated_max_bounds = self._sample_bounds(
-                batch_size, min_vector, max_vector, min_deltas, max_deltas, fitted_mask
-            )
-
-            min_bounds[..., fitted_mask], max_bounds[..., fitted_mask] = (
-                updated_min_bounds[..., fitted_mask], updated_max_bounds[..., fitted_mask]
-            )
-
-            params[..., fitted_mask] = torch.rand(
-                batch_size, fitted_mask.sum().item(),
-                device=self.device,
-                dtype=self.dtype
-            ) * (max_bounds[..., fitted_mask] - min_bounds[..., fitted_mask]) + min_bounds[..., fitted_mask]
-
-            thicknesses, roughnesses, slds = torch.split(
-                params, [self.max_num_layers, self.max_num_layers + 1, self.max_num_layers + 1], dim=-1
-            )
-
-        params = UniformSubPriorParams(thicknesses, roughnesses, slds, min_bounds, max_bounds)
-
-        return params
-
-    def scale_params(self, params: UniformSubPriorParams) -> Tensor:
-        params_t = params.as_tensor(add_bounds=False)
-
-        scaled_params = self._scale(params_t, params.min_bounds, params.max_bounds)[..., self.fitted_mask]
-
-        scaled_min_bounds = self._scale(params.min_bounds, self.min_bounds, self.max_bounds)[..., self.fitted_mask]
-
-        scaled_max_bounds = self._scale(params.max_bounds, self.min_bounds, self.max_bounds)[..., self.fitted_mask]
-
-        scaled_params = torch.cat([scaled_params, scaled_min_bounds, scaled_max_bounds], -1)
-
-        return scaled_params
-
-    def scale_bounds(self, bounds: Tensor) -> Tensor:
-        return self._scale(bounds, self.min_bounds, self.max_bounds)[..., self.fitted_mask]
-
-    def restore_params(self, scaled_params: Tensor) -> UniformSubPriorParams:
-        scaled_params, scaled_min_bounds, scaled_max_bounds = torch.split(
-            scaled_params, [self.param_dim, self.param_dim, self.param_dim], dim=1
-        )
-
-        min_bounds = self._restore(
-            scaled_min_bounds, self.min_bounds[self.fitted_mask], self.max_bounds[self.fitted_mask]
-        )
-        max_bounds = self._restore(
-            scaled_max_bounds, self.min_bounds[self.fitted_mask], self.max_bounds[self.fitted_mask]
-        )
-
-        restored_params = self._restore(scaled_params, min_bounds, max_bounds)
-
-        params_t = torch.cat(
-            [
-                self._cat_restored_with_fixed_vector(restored_params),
-                self._cat_restored_with_fixed_vector(min_bounds),
-                self._cat_restored_with_fixed_vector(max_bounds),
-            ], -1
-        )
-
-        params = UniformSubPriorParams.from_tensor(params_t)
-
-        return params
-
-    def _cat_restored_with_fixed_vector(self, restored_t: Tensor) -> Tensor:
-        return self._cat_fitted_fixed_t(restored_t, self.fixed_params)
-
-    def _cat_fitted_fixed_t(self, fitted_t: Tensor, fixed_t: Tensor, fitted_mask: Tensor = None) -> Tensor:
-        if fitted_mask is None:
-            fitted_mask = self.fitted_mask
-            fixed_mask = self.fixed_mask
-        else:
-            fixed_mask = ~fitted_mask
-
-        total_num_params = self.fitted_mask.sum().item() + self.fixed_mask.sum().item()
-
-        batch_size = fitted_t.shape[0]
-
-        concat_t = torch.empty(
-            batch_size, total_num_params, device=fitted_t.device, dtype=fitted_t.dtype
-        )
-        concat_t[:, fitted_mask] = fitted_t
-        concat_t[:, fixed_mask] = fixed_t[None].expand(batch_size, -1)
-
-        return concat_t
-
-    def log_prob(self, params: UniformSubPriorParams) -> Tensor:
-        log_prob = torch.zeros(params.batch_size, device=params.device, dtype=params.dtype)
-        indices = self.get_indices_within_bounds(params)
-        log_prob[~indices] = float('-inf')
-        return log_prob
-
-    def get_indices_within_bounds(self, params: UniformSubPriorParams) -> Tensor:
-        t_params = torch.cat([
-            params.thicknesses,
-            params.roughnesses,
-            params.slds
-        ], dim=-1)
-
-        indices = (
-                torch.all(t_params >= params.min_bounds, dim=-1) &
-                torch.all(t_params <= params.max_bounds, dim=-1)
-        )
-
-        return indices
-
-    def clamp_params(self, params: UniformSubPriorParams) -> UniformSubPriorParams:
-        params = UniformSubPriorParams.from_tensor(
-            torch.cat([
-                torch.clamp(
-                    params.as_tensor(add_bounds=False),
-                    params.min_bounds, params.max_bounds
-                ),
-                params.min_bounds, params.max_bounds
-            ], dim=1)
-        )
-        return params
-
-    def get_indices_within_domain(self, params: UniformSubPriorParams) -> Tensor:
-        return self.get_indices_within_bounds(params)
-
-    def sample_bounds(self, batch_size: int):
-        return self._sample_bounds(
-            batch_size,
-            self.min_bounds,
-            self.max_bounds,
-            self.min_deltas,
-            self.max_deltas,
-            self.fitted_mask,
-        )
-
-    def _sample_bounds(self, batch_size, min_vector, max_vector, min_deltas, max_deltas, fitted_mask):
-        if self.logdist:
-            widths_sampler_func = logdist_sampler
-        else:
-            widths_sampler_func = uniform_sampler
-
-        num_fitted = fitted_mask.sum().item()
-        num_fixed = fitted_mask.numel() - num_fitted
-
-        prior_widths = widths_sampler_func(
-            min_deltas[..., fitted_mask], max_deltas[..., fitted_mask],
-            batch_size, num_fitted,
-            device=self.device, dtype=self.dtype
-        )
-
-        prior_widths = self._cat_fitted_fixed_t(prior_widths, torch.zeros(num_fixed).to(prior_widths), fitted_mask)
-
-        prior_centers = uniform_sampler(
-            min_vector + prior_widths / 2, max_vector - prior_widths / 2,
-            *prior_widths.shape,
-            device=self.device, dtype=self.dtype
-        )
-
-        min_bounds, max_bounds = prior_centers - prior_widths / 2, prior_centers + prior_widths / 2
-
-        return min_bounds, max_bounds
-
-    @staticmethod
-    def scale_bounds_with_q(bounds: Tensor, q_ratio: float) -> Tensor:
-        params = Params.from_tensor(torch.atleast_2d(bounds).clone())
-        params.scale_with_q(q_ratio)
-        return params.as_tensor().squeeze()
-
-    def clamp_bounds(self, bounds: Tensor) -> Tensor:
-        return torch.clamp(
-            torch.atleast_2d(bounds), torch.atleast_2d(self.min_bounds), torch.atleast_2d(self.max_bounds)
-        )
+from typing import Tuple, Union, List
+
+import torch
+from torch import Tensor
+
+from reflectorch.data_generation.utils import (
+    uniform_sampler,
+    logdist_sampler,
+)
+
+from reflectorch.data_generation.priors.scaler_mixin import ScalerMixin
+from reflectorch.data_generation.priors.base import PriorSampler
+from reflectorch.data_generation.priors.subprior_sampler import UniformSubPriorParams
+from reflectorch.data_generation.priors.params import Params
+from reflectorch.data_generation.priors.utils import get_max_allowed_roughness
+from reflectorch.data_generation.priors.no_constraints import (
+    DEFAULT_DEVICE,
+    DEFAULT_DTYPE,
+)
+
+
+class ExpUniformSubPriorSampler(PriorSampler, ScalerMixin):
+    PARAM_CLS = UniformSubPriorParams
+
+    def __init__(self,
+                 params: List[Union[float, Tuple[float, float], Tuple[float, float, float, float]]],
+                 device: torch.device = DEFAULT_DEVICE,
+                 dtype: torch.dtype = DEFAULT_DTYPE,
+                 scaled_range: Tuple[float, float] = (-1, 1),
+                 logdist: bool = False,
+                 relative_min_bound_width: float = 1e-4,
+                 smaller_roughnesses: bool = True,
+                 ):
+        self.device = device
+        self.dtype = dtype
+        self.scaled_range = scaled_range
+        self.relative_min_bound_width = relative_min_bound_width
+        self.logdist = logdist
+        self.smaller_roughnesses = smaller_roughnesses
+        self._init_params(*params)
+
+    @property
+    def max_num_layers(self) -> int:
+        return self.num_layers
+
+    def _init_params(self, *params: Union[float, Tuple[float, float], Tuple[float, float, float, float]]):
+        self.num_layers = (len(params) - 2) // 3
+        self._total_num_params = len(params)
+
+        fixed_mask = []
+        bounds = []
+        delta_bounds = []
+        param_dim = 0
+
+        for param in params:
+            if isinstance(param, (float, int)):
+                deltas = (0, 0)
+                param = (param, param)
+                fixed_mask.append(True)
+            else:
+                param_dim += 1
+                fixed_mask.append(False)
+
+                if len(param) == 4:
+                    param, deltas = param[:2], param[2:]
+                else:
+                    max_delta = param[1] - param[0]
+                    deltas = (max_delta * self.relative_min_bound_width, max_delta)
+
+            bounds.append(param)
+            delta_bounds.append(deltas)
+
+        self.fixed_mask = torch.tensor(fixed_mask).to(self.device)
+        self.fitted_mask = ~self.fixed_mask
+        self.roughnesses_mask = torch.zeros_like(self.fitted_mask)
+        self.roughnesses_mask[self.num_layers: self.num_layers * 2 + 1] = True
+
+        self.min_bounds, self.max_bounds = torch.tensor(bounds).to(self.device).to(self.dtype).T
+        self.min_deltas, self.max_deltas = map(torch.atleast_2d, torch.tensor(delta_bounds).to(self.min_bounds).T)
+        self._param_dim = param_dim
+        self._num_fixed = self.fixed_mask.sum()
+
+        self.fixed_params = self.min_bounds[self.fixed_mask]
+
+    @property
+    def param_dim(self) -> int:
+        return self._param_dim
+
+    def sample(self, batch_size: int) -> UniformSubPriorParams:
+        min_bounds, max_bounds = self.sample_bounds(batch_size)
+
+        params = torch.rand(
+            *min_bounds.shape,
+            device=self.device,
+            dtype=self.dtype
+        ) * (max_bounds - min_bounds) + min_bounds
+
+        thicknesses, roughnesses, slds = torch.split(
+            params, [self.max_num_layers, self.max_num_layers + 1, self.max_num_layers + 1], dim=-1
+        )
+
+        if self.smaller_roughnesses:
+            fitted_r_mask = self.fitted_mask.clone()
+            fitted_r_mask[~self.roughnesses_mask] = False
+
+            min_roughness = self.min_bounds[fitted_r_mask]
+            max_roughness = torch.clamp(
+                get_max_allowed_roughness(thicknesses)[..., self.fitted_mask[self.roughnesses_mask]],
+                min_roughness,
+                self.max_bounds[fitted_r_mask]
+            )
+
+            min_vector = self.min_bounds.clone()[None].repeat(batch_size, 1)
+            max_vector = self.max_bounds.clone()[None].repeat(batch_size, 1)
+
+            max_vector[..., fitted_r_mask] = max_roughness
+
+            assert torch.all(max_vector[..., fitted_r_mask] == max_roughness)
+
+            min_deltas = self.min_deltas.clone().repeat(batch_size, 1)
+            max_deltas = self.max_deltas.clone().repeat(batch_size, 1)
+
+            max_deltas[..., fitted_r_mask] = torch.clamp_max(
+                max_deltas[..., fitted_r_mask],
+                max_roughness - min_roughness,
+            )
+
+            fitted_mask = torch.zeros_like(self.fitted_mask)
+            fitted_mask[fitted_r_mask] = True
+
+            updated_min_bounds, updated_max_bounds = self._sample_bounds(
+                batch_size, min_vector, max_vector, min_deltas, max_deltas, fitted_mask
+            )
+
+            min_bounds[..., fitted_mask], max_bounds[..., fitted_mask] = (
+                updated_min_bounds[..., fitted_mask], updated_max_bounds[..., fitted_mask]
+            )
+
+            params[..., fitted_mask] = torch.rand(
+                batch_size, fitted_mask.sum().item(),
+                device=self.device,
+                dtype=self.dtype
+            ) * (max_bounds[..., fitted_mask] - min_bounds[..., fitted_mask]) + min_bounds[..., fitted_mask]
+
+            thicknesses, roughnesses, slds = torch.split(
+                params, [self.max_num_layers, self.max_num_layers + 1, self.max_num_layers + 1], dim=-1
+            )
+
+        params = UniformSubPriorParams(thicknesses, roughnesses, slds, min_bounds, max_bounds)
+
+        return params
+
+    def scale_params(self, params: UniformSubPriorParams) -> Tensor:
+        params_t = params.as_tensor(add_bounds=False)
+
+        scaled_params = self._scale(params_t, params.min_bounds, params.max_bounds)[..., self.fitted_mask]
+
+        scaled_min_bounds = self._scale(params.min_bounds, self.min_bounds, self.max_bounds)[..., self.fitted_mask]
+
+        scaled_max_bounds = self._scale(params.max_bounds, self.min_bounds, self.max_bounds)[..., self.fitted_mask]
+
+        scaled_params = torch.cat([scaled_params, scaled_min_bounds, scaled_max_bounds], -1)
+
+        return scaled_params
+
+    def scale_bounds(self, bounds: Tensor) -> Tensor:
+        return self._scale(bounds, self.min_bounds, self.max_bounds)[..., self.fitted_mask]
+
+    def restore_params(self, scaled_params: Tensor) -> UniformSubPriorParams:
+        scaled_params, scaled_min_bounds, scaled_max_bounds = torch.split(
+            scaled_params, [self.param_dim, self.param_dim, self.param_dim], dim=1
+        )
+
+        min_bounds = self._restore(
+            scaled_min_bounds, self.min_bounds[self.fitted_mask], self.max_bounds[self.fitted_mask]
+        )
+        max_bounds = self._restore(
+            scaled_max_bounds, self.min_bounds[self.fitted_mask], self.max_bounds[self.fitted_mask]
+        )
+
+        restored_params = self._restore(scaled_params, min_bounds, max_bounds)
+
+        params_t = torch.cat(
+            [
+                self._cat_restored_with_fixed_vector(restored_params),
+                self._cat_restored_with_fixed_vector(min_bounds),
+                self._cat_restored_with_fixed_vector(max_bounds),
+            ], -1
+        )
+
+        params = UniformSubPriorParams.from_tensor(params_t)
+
+        return params
+
+    def _cat_restored_with_fixed_vector(self, restored_t: Tensor) -> Tensor:
+        return self._cat_fitted_fixed_t(restored_t, self.fixed_params)
+
+    def _cat_fitted_fixed_t(self, fitted_t: Tensor, fixed_t: Tensor, fitted_mask: Tensor = None) -> Tensor:
+        if fitted_mask is None:
+            fitted_mask = self.fitted_mask
+            fixed_mask = self.fixed_mask
+        else:
+            fixed_mask = ~fitted_mask
+
+        total_num_params = self.fitted_mask.sum().item() + self.fixed_mask.sum().item()
+
+        batch_size = fitted_t.shape[0]
+
+        concat_t = torch.empty(
+            batch_size, total_num_params, device=fitted_t.device, dtype=fitted_t.dtype
+        )
+        concat_t[:, fitted_mask] = fitted_t
+        concat_t[:, fixed_mask] = fixed_t[None].expand(batch_size, -1)
+
+        return concat_t
+
+    def log_prob(self, params: UniformSubPriorParams) -> Tensor:
+        log_prob = torch.zeros(params.batch_size, device=params.device, dtype=params.dtype)
+        indices = self.get_indices_within_bounds(params)
+        log_prob[~indices] = float('-inf')
+        return log_prob
+
+    def get_indices_within_bounds(self, params: UniformSubPriorParams) -> Tensor:
+        t_params = torch.cat([
+            params.thicknesses,
+            params.roughnesses,
+            params.slds
+        ], dim=-1)
+
+        indices = (
+                torch.all(t_params >= params.min_bounds, dim=-1) &
+                torch.all(t_params <= params.max_bounds, dim=-1)
+        )
+
+        return indices
+
+    def clamp_params(self, params: UniformSubPriorParams) -> UniformSubPriorParams:
+        params = UniformSubPriorParams.from_tensor(
+            torch.cat([
+                torch.clamp(
+                    params.as_tensor(add_bounds=False),
+                    params.min_bounds, params.max_bounds
+                ),
+                params.min_bounds, params.max_bounds
+            ], dim=1)
+        )
+        return params
+
+    def get_indices_within_domain(self, params: UniformSubPriorParams) -> Tensor:
+        return self.get_indices_within_bounds(params)
+
+    def sample_bounds(self, batch_size: int):
+        return self._sample_bounds(
+            batch_size,
+            self.min_bounds,
+            self.max_bounds,
+            self.min_deltas,
+            self.max_deltas,
+            self.fitted_mask,
+        )
+
+    def _sample_bounds(self, batch_size, min_vector, max_vector, min_deltas, max_deltas, fitted_mask):
+        if self.logdist:
+            widths_sampler_func = logdist_sampler
+        else:
+            widths_sampler_func = uniform_sampler
+
+        num_fitted = fitted_mask.sum().item()
+        num_fixed = fitted_mask.numel() - num_fitted
+
+        prior_widths = widths_sampler_func(
+            min_deltas[..., fitted_mask], max_deltas[..., fitted_mask],
+            batch_size, num_fitted,
+            device=self.device, dtype=self.dtype
+        )
+
+        prior_widths = self._cat_fitted_fixed_t(prior_widths, torch.zeros(num_fixed).to(prior_widths), fitted_mask)
+
+        prior_centers = uniform_sampler(
+            min_vector + prior_widths / 2, max_vector - prior_widths / 2,
+            *prior_widths.shape,
+            device=self.device, dtype=self.dtype
+        )
+
+        min_bounds, max_bounds = prior_centers - prior_widths / 2, prior_centers + prior_widths / 2
+
+        return min_bounds, max_bounds
+
+    @staticmethod
+    def scale_bounds_with_q(bounds: Tensor, q_ratio: float) -> Tensor:
+        params = Params.from_tensor(torch.atleast_2d(bounds).clone())
+        params.scale_with_q(q_ratio)
+        return params.as_tensor().squeeze()
+
+    def clamp_bounds(self, bounds: Tensor) -> Tensor:
+        return torch.clamp(
+            torch.atleast_2d(bounds), torch.atleast_2d(self.min_bounds), torch.atleast_2d(self.max_bounds)
+        )