#!/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.
from __future__ import annotations
from collections.abc import Sequence
from inspect import getmembers
from typing import Optional, Union
import torch
from botorch.utils.probability.linalg import augment_cholesky, block_matrix_concat
from botorch.utils.probability.mvnxpb import MVNXPB
from botorch.utils.probability.truncated_multivariate_normal import (
TruncatedMultivariateNormal,
)
from linear_operator.operators import LinearOperator
from linear_operator.utils.errors import NotPSDError
from torch import Tensor
from torch.distributions.multivariate_normal import Distribution, MultivariateNormal
from torch.distributions.utils import lazy_property
from torch.nn.functional import pad
[docs]
class UnifiedSkewNormal(Distribution):
arg_constraints = {}
def __init__(
self,
trunc: TruncatedMultivariateNormal,
gauss: MultivariateNormal,
cross_covariance_matrix: Union[Tensor, LinearOperator],
validate_args: Optional[bool] = None,
):
r"""Unified Skew Normal distribution of `Y | a < X < b` for jointly Gaussian
random vectors `X ∈ R^m` and `Y ∈ R^n`.
Batch shapes `trunc.batch_shape` and `gauss.batch_shape` must be broadcastable.
Care should be taken when choosing `trunc.batch_shape`. When `trunc` is of lower
batch dimensionality than `gauss`, the user should consider expanding `trunc` to
hasten `UnifiedSkewNormal.log_prob`. In these cases, it is suggested that the
user invoke `trunc.solver` before calling `trunc.expand` to avoid paying for
multiple, identical solves.
Args:
trunc: Distribution of `Z = (X | a < X < b) ∈ R^m`.
gauss: Distribution of `Y ∈ R^n`.
cross_covariance_matrix: Cross-covariance `Cov(X, Y) ∈ R^{m x n}`.
validate_args: Optional argument to super().__init__.
"""
if len(trunc.event_shape) != len(gauss.event_shape):
raise ValueError(
f"{len(trunc.event_shape)}-dimensional `trunc` incompatible with"
f"{len(gauss.event_shape)}-dimensional `gauss`."
)
# LinearOperator currently doesn't support torch.linalg.solve_triangular,
# so for the time being, we cast the operator to dense here
if isinstance(cross_covariance_matrix, LinearOperator):
cross_covariance_matrix = cross_covariance_matrix.to_dense()
try:
batch_shape = torch.broadcast_shapes(trunc.batch_shape, gauss.batch_shape)
except RuntimeError as e:
raise ValueError("Incompatible batch shapes") from e
super().__init__(
batch_shape=batch_shape,
event_shape=gauss.event_shape,
validate_args=validate_args,
)
self.trunc = trunc
self.gauss = gauss
self.cross_covariance_matrix = cross_covariance_matrix
if self._validate_args:
try:
# calling _orthogonalized_gauss first makes the following call
# _orthogonalized_gauss.scale_tril which is used by self.rsample
self._orthogonalized_gauss
self.scale_tril
except Exception as e:
# error could be thrown by linalg.augment_cholesky (NotPSDError)
# or torch.linalg.cholesky (with "positive-definite" in the message)
if (
isinstance(e, NotPSDError)
or "positive-definite" in str(e)
or "PositiveDefinite" in str(e)
):
e = ValueError(
"UnifiedSkewNormal is only well-defined for positive definite"
" joint covariance matrices."
)
raise e
[docs]
def log_prob(self, value: Tensor) -> Tensor:
r"""Computes the log probability `ln p(Y = value | a < X < b)`."""
event_ndim = len(self.event_shape)
if value.ndim < event_ndim or value.shape[-event_ndim:] != self.event_shape:
raise ValueError(
f"`value` with shape {value.shape} does not comply with the instance's"
f"`event_shape` of {self.event_shape}."
)
# Iterate with a fixed batch size to keep memory overhead in check
i = 0
pre_shape = value.shape[: -len(self.event_shape) - len(self.batch_shape)]
batch_size = self.batch_shape.numel()
log_probs = torch.empty(
pre_shape.numel() * batch_size, device=value.device, dtype=value.dtype
)
for batch in value.view(-1, *value.shape[len(pre_shape) :]):
log_probs[i : i + batch_size] = self._log_prob(batch).view(-1)
i += batch_size
return log_probs.view(pre_shape + self.batch_shape)
def _log_prob(self, value: Tensor) -> Tensor:
r"""Computes the log probability `ln p(Y = value | a < X < b)`."""
# Center by subtracting E[X | Y = value] from `bounds`.
bounds = (
self.trunc.bounds
- self.trunc.loc.unsqueeze(-1)
- self._iKyy_Kyx.transpose(-2, -1) @ (value - self.gauss.loc).unsqueeze(-1)
)
# Approximately solve for MVN CDF
solver = MVNXPB(covariance_matrix=self._K_schur_Kyy, bounds=bounds)
# p(Y = value | a < X < b) = P(a < X < b | Y = value)p(Y = value)/P(a < X < b)
return solver.solve() + self.gauss.log_prob(value) - self.trunc.log_partition
[docs]
def rsample(self, sample_shape: torch.Size = torch.Size()) -> Tensor: # noqa: B008
r"""Draw samples from the Unified Skew Normal.
Args:
sample_shape: The shape of the samples.
Returns:
The (sample_shape x batch_shape x event_shape) tensor of samples.
"""
residuals = self._orthogonalized_gauss.rsample(sample_shape=sample_shape)
trunc_rvs = self.trunc.rsample(sample_shape=sample_shape) - self.trunc.loc
cond_expectations = self.gauss.loc + trunc_rvs @ self._iKxx_Kxy
return cond_expectations + residuals
[docs]
def expand(
self, batch_shape: Sequence[int], _instance: UnifiedSkewNormal = None
) -> UnifiedSkewNormal:
new = self._get_checked_instance(UnifiedSkewNormal, _instance)
super(UnifiedSkewNormal, new).__init__(
batch_shape=batch_shape, event_shape=self.event_shape, validate_args=False
)
new._validate_args = self._validate_args
new.gauss = self.gauss.expand(batch_shape=batch_shape)
new.trunc = self.trunc.expand(batch_shape=batch_shape)
new.cross_covariance_matrix = self.cross_covariance_matrix.expand(
batch_shape + self.cross_covariance_matrix.shape[-2:]
)
# Expand cached properties
for name, _ in getmembers(
UnifiedSkewNormal, lambda x: isinstance(x, lazy_property)
):
if name not in self.__dict__:
continue
obj = getattr(self, name)
if isinstance(obj, Tensor):
base = obj if (obj._base is None) else obj._base
new_obj = obj.expand(batch_shape + base.shape)
elif isinstance(obj, Distribution):
new_obj = obj.expand(batch_shape=batch_shape)
else:
raise TypeError(
f"Type {type(obj)} of UnifiedSkewNormal's lazy property "
f"{name} not supported."
)
setattr(new, name, new_obj)
return new
def __repr__(self) -> str:
args_string = ", ".join(
(
f"trunc: {self.trunc}",
f"gauss: {self.gauss}",
f"cross_covariance_matrix: {self.cross_covariance_matrix.shape}",
)
)
return self.__class__.__name__ + "(" + args_string + ")"
@lazy_property
def covariance_matrix(self) -> Tensor:
Kxx = self.trunc.covariance_matrix
Kxy = self.cross_covariance_matrix
Kyy = self.gauss.covariance_matrix
return block_matrix_concat(blocks=([Kxx, Kxy], [Kxy.transpose(-2, -1), Kyy]))
@lazy_property
def scale_tril(self) -> Tensor:
Lxx = self.trunc.scale_tril
Lyx = self._iLxx_Kxy.transpose(-2, -1)
if "_orthogonalized_gauss" in self.__dict__:
n = Lyx.shape[-2]
Lyy = self._orthogonalized_gauss.scale_tril
return block_matrix_concat(blocks=([pad(Lxx, (0, n))], [Lyx, Lyy]))
return augment_cholesky(Laa=Lxx, Lba=Lyx, Kbb=self.gauss.covariance_matrix)
@lazy_property
def _orthogonalized_gauss(self) -> MultivariateNormal:
r"""Distribution of `Y ⊥ X = Y - E[Y | X]`, where `Y ~ gauss` and `X ~ untrunc`
is the untruncated version of `Z ~ trunc`."""
n = self.gauss.loc.shape[-1]
parameters = {"loc": torch.zeros_like(self.gauss.loc)}
if "scale_tril" in self.__dict__:
parameters["scale_tril"] = self.scale_tril[..., -n:, -n:]
else:
beta = self._iLxx_Kxy
parameters["covariance_matrix"] = (
self.gauss.covariance_matrix - beta.transpose(-1, -2) @ beta
)
return MultivariateNormal(**parameters, validate_args=self._validate_args)
@lazy_property
def _iLyy_Kyx(self) -> Tensor:
r"""Cov(Y, Y)^{-1/2}Cov(Y, X)`."""
return torch.linalg.solve_triangular(
self.gauss.scale_tril,
self.cross_covariance_matrix.transpose(-1, -2),
upper=False,
)
@lazy_property
def _iKyy_Kyx(self) -> Tensor:
r"""Cov(Y, Y)^{-1}Cov(Y, X)`."""
return torch.linalg.solve_triangular(
self.gauss.scale_tril.transpose(-1, -2),
self._iLyy_Kyx,
upper=True,
)
@lazy_property
def _iLxx_Kxy(self) -> Tensor:
r"""Cov(X, X)^{-1/2}Cov(X, Y)`."""
return torch.linalg.solve_triangular(
self.trunc.scale_tril, self.cross_covariance_matrix, upper=False
)
@lazy_property
def _iKxx_Kxy(self) -> Tensor:
r"""Cov(X, X)^{-1}Cov(X, Y)`."""
return torch.linalg.solve_triangular(
self.trunc.scale_tril.transpose(-1, -2),
self._iLxx_Kxy,
upper=True,
)
@lazy_property
def _K_schur_Kyy(self) -> Tensor:
r"""Cov(X, X) - Cov(X, Y)Cov(Y, Y)^{-1} Cov(Y, X)`."""
beta = self._iLyy_Kyx
return self.trunc.covariance_matrix - beta.transpose(-1, -2) @ beta
