Source code for botorch.models.model_list_gp_regression

#!/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.

Model List GP Regression models.

from __future__ import annotations

from copy import deepcopy
from typing import Any, List

from botorch.exceptions.errors import BotorchTensorDimensionError
from botorch.models.gpytorch import GPyTorchModel, ModelListGPyTorchModel
from botorch.models.model import FantasizeMixin
from gpytorch.models import IndependentModelList
from torch import Tensor

[docs]class ModelListGP(IndependentModelList, ModelListGPyTorchModel, FantasizeMixin): r"""A multi-output GP model with independent GPs for the outputs. This model supports different-shaped training inputs for each of its sub-models. It can be used with any number of single-output `GPyTorchModel`\s and the models can be of different types. Use this model when you have independent outputs with different training data. When modeling correlations between outputs, use `MultiTaskGP`. Internally, this model is just a list of individual models, but it implements the same input/output interface as all other BoTorch models. This makes it very flexible and convenient to work with. The sequential evaluation comes at a performance cost though - if you are using a block design (i.e. the same number of training example for each output, and a similar model structure, you should consider using a batched GP model instead, such as `SingleTaskGP` with batched inputs). """ def __init__(self, *gp_models: GPyTorchModel) -> None: r""" Args: *gp_models: A number of single-output `GPyTorchModel`\s. If models have input/output transforms, these are honored individually for each model. Example: >>> model1 = SingleTaskGP(train_X1, train_Y1) >>> model2 = SingleTaskGP(train_X2, train_Y2) >>> model = ModelListGP(model1, model2) """ super().__init__(*gp_models) # pyre-fixme[14]: Inconsistent override. Here `X` is a List[Tensor], but in the # parent method it's a Tensor.
[docs] def condition_on_observations( self, X: List[Tensor], Y: Tensor, **kwargs: Any ) -> ModelListGP: r"""Condition the model on new observations. Args: X: A `m`-list of `batch_shape x n' x d`-dim Tensors, where `d` is the dimension of the feature space, `n'` is the number of points per batch, and `batch_shape` is the batch shape (must be compatible with the batch shape of the model). Y: A `batch_shape' x n' x m`-dim Tensor, where `m` is the number of model outputs, `n'` is the number of points per batch, and `batch_shape'` is the batch shape of the observations. `batch_shape'` must be broadcastable to `batch_shape` using standard broadcasting semantics. If `Y` has fewer batch dimensions than `X`, its is assumed that the missing batch dimensions are the same for all `Y`. kwargs: Keyword arguments passed to `IndependentModelList.get_fantasy_model`. Returns: A `ModelListGP` representing the original model conditioned on the new observations `(X, Y)` (and possibly noise observations passed in via kwargs). Here the `i`-th model has `n_i + n'` training examples, where the `n'` training examples have been added and all test-time caches have been updated. """ if Y.shape[-1] != self.num_outputs: raise BotorchTensorDimensionError( "Incorrect number of outputs for observations. Received " f"{Y.shape[-1]} observation outputs, but model has " f"{self.num_outputs} outputs." ) targets = [Y[..., i] for i in range(Y.shape[-1])] for i, model in enumerate(self.models): if hasattr(model, "outcome_transform"): noise = kwargs.get("noise") targets[i], noise = model.outcome_transform(targets[i], noise) # This should never trigger, posterior call would fail. assert len(targets) == len(X) if "noise" in kwargs: noise = kwargs.pop("noise") if noise.shape != Y.shape[-noise.dim() :]: raise BotorchTensorDimensionError( "The shape of observation noise does not agree with the outcomes. " f"Received {noise.shape} noise with {Y.shape} outcomes." ) kwargs_ = {**kwargs, "noise": [noise[..., i] for i in range(Y.shape[-1])]} else: kwargs_ = kwargs return super().get_fantasy_model(X, targets, **kwargs_)
[docs] def subset_output(self, idcs: List[int]) -> ModelListGP: r"""Subset the model along the output dimension. Args: idcs: The output indices to subset the model to. Returns: The current model, subset to the specified output indices. """ return self.__class__(*[deepcopy(self.models[i]) for i in idcs])
def _set_transformed_inputs(self) -> None: r"""Update training inputs with transformed inputs.""" for m in self.models: m._set_transformed_inputs() def _revert_to_original_inputs(self) -> None: r"""Revert training inputs back to original.""" for m in self.models: m._revert_to_original_inputs()