Source code for botorch.models.converter

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

r"""
Utilities for converting between different models.
"""

from __future__ import annotations

from copy import deepcopy

import torch
from botorch.exceptions import UnsupportedError
from botorch.models.gp_regression import FixedNoiseGP, HeteroskedasticSingleTaskGP
from botorch.models.gp_regression_fidelity import SingleTaskMultiFidelityGP
from botorch.models.gpytorch import BatchedMultiOutputGPyTorchModel
from botorch.models.model_list_gp_regression import ModelListGP
from torch.nn import Module


def _get_module(module: Module, name: str) -> Module:
    """Recursively get a sub-module from a module.

    Args:
        module: A `torch.nn.Module`.
        name: The name of the submodule to return, in the form of a period-delinated
            string: `sub_module.subsub_module.[...].leaf_module`.

    Returns:
        The requested sub-module.

    Example:
        >>> gp = SingleTaskGP(train_X, train_Y)
        >>> noise_prior = _get_module(gp, "likelihood.noise_covar.noise_prior")
    """
    current = module
    if name != "":
        for a in name.split("."):
            current = getattr(current, a)
    return current


def _check_compatibility(models: ModelListGP) -> None:
    """Check if a ModelListGP can be converted."""
    # check that all submodules are of the same type
    for modn, mod in models[0].named_modules():
        mcls = mod.__class__
        if not all(isinstance(_get_module(m, modn), mcls) for m in models[1:]):
            raise UnsupportedError(
                "Sub-modules must be of the same type across models."
            )

    # check that each model is a BatchedMultiOutputGPyTorchModel
    if not all(isinstance(m, BatchedMultiOutputGPyTorchModel) for m in models):
        raise UnsupportedError(
            "All models must be of type BatchedMultiOutputGPyTorchModel."
        )

    # TODO: Add support for HeteroskedasticSingleTaskGP
    if any(isinstance(m, HeteroskedasticSingleTaskGP) for m in models):
        raise NotImplementedError(
            "Conversion of HeteroskedasticSingleTaskGP is currently unsupported."
        )

    # TODO: Add support for custom likelihoods
    if any(getattr(m, "_is_custom_likelihood", False) for m in models):
        raise NotImplementedError(
            "Conversion of models with custom likelihoods is currently unsupported."
        )

    # check that each model is single-output
    if not all(m._num_outputs == 1 for m in models):
        raise UnsupportedError("All models must be single-output.")

    # check that training inputs are the same
    if not all(
        torch.equal(ti, tj)
        for m in models[1:]
        for ti, tj in zip(models[0].train_inputs, m.train_inputs)
    ):
        raise UnsupportedError("training inputs must agree for all sub-models.")


[docs]def model_list_to_batched(model_list: ModelListGP) -> BatchedMultiOutputGPyTorchModel: """Convert a ModelListGP to a BatchedMultiOutputGPyTorchModel. Args: model_list: The `ModelListGP` to be converted to the appropriate `BatchedMultiOutputGPyTorchModel`. All sub-models must be of the same type and have the shape (batch shape and number of training inputs). Returns: The model converted into a `BatchedMultiOutputGPyTorchModel`. Example: >>> list_gp = ModelListGP(gp1, gp2) >>> batch_gp = model_list_to_batched(list_gp) """ models = model_list.models _check_compatibility(models) # if the list has only one model, we can just return a copy of that if len(models) == 1: return deepcopy(models[0]) # construct inputs train_X = deepcopy(models[0].train_inputs[0]) train_Y = torch.stack([m.train_targets.clone() for m in models], dim=-1) kwargs = {"train_X": train_X, "train_Y": train_Y} if isinstance(models[0], FixedNoiseGP): kwargs["train_Yvar"] = torch.stack( [m.likelihood.noise_covar.noise.clone() for m in models], dim=-1 ) if isinstance(models[0], SingleTaskMultiFidelityGP): init_args = models[0]._init_args if not all( v == m._init_args[k] for m in models[1:] for k, v in init_args.items() ): raise UnsupportedError("All models must have the same fidelity parameters.") kwargs.update(init_args) # construct the batched GP model batch_gp = models[0].__class__(**kwargs) tensors = {n for n, p in batch_gp.state_dict().items() if len(p.shape) > 0} scalars = set(batch_gp.state_dict()) - tensors input_batch_dims = len(models[0]._input_batch_shape) # ensure scalars agree (TODO: Allow different priors for different outputs) for n in scalars: v0 = _get_module(models[0], n) if not all(torch.equal(_get_module(m, n), v0) for m in models[1:]): raise UnsupportedError("All scalars must have the same value.") # ensure dimensions of all tensors agree for n in tensors: shape0 = _get_module(models[0], n).shape if not all(_get_module(m, n).shape == shape0 for m in models[1:]): raise UnsupportedError("All tensors must have the same shape.") # now construct the batched state dict scalar_state_dict = { s: p.clone() for s, p in models[0].state_dict().items() if s in scalars } tensor_state_dict = { t: ( torch.stack( [m.state_dict()[t].clone() for m in models], dim=input_batch_dims ) if "active_dims" not in t else models[0].state_dict()[t].clone() ) for t in tensors } batch_state_dict = {**scalar_state_dict, **tensor_state_dict} # load the state dict into the new model batch_gp.load_state_dict(batch_state_dict) return batch_gp
[docs]def batched_to_model_list(batch_model: BatchedMultiOutputGPyTorchModel) -> ModelListGP: """Convert a BatchedMultiOutputGPyTorchModel to a ModelListGP. Args: model_list: The `BatchedMultiOutputGPyTorchModel` to be converted to a `ModelListGP`. Returns: The model converted into a `ModelListGP`. Example: >>> train_X = torch.rand(5, 2) >>> train_Y = torch.rand(5, 2) >>> batch_gp = SingleTaskGP(train_X, train_Y) >>> list_gp = batched_to_model_list(batch_gp) """ # TODO: Add support for HeteroskedasticSingleTaskGP if isinstance(batch_model, HeteroskedasticSingleTaskGP): raise NotImplementedError( "Conversion of HeteroskedasticSingleTaskGP currently not supported." ) batch_sd = batch_model.state_dict() tensors = {n for n, p in batch_sd.items() if len(p.shape) > 0} scalars = set(batch_sd) - tensors input_bdims = len(batch_model._input_batch_shape) models = [] for i in range(batch_model._num_outputs): scalar_sd = {s: batch_sd[s].clone() for s in scalars} tensor_sd = { t: ( batch_sd[t].select(input_bdims, i).clone() if "active_dims" not in t else batch_sd[t].clone() ) for t in tensors } sd = {**scalar_sd, **tensor_sd} kwargs = { "train_X": batch_model.train_inputs[0].select(input_bdims, i).clone(), "train_Y": batch_model.train_targets.select(input_bdims, i) .clone() .unsqueeze(-1), } if isinstance(batch_model, FixedNoiseGP): noise_covar = batch_model.likelihood.noise_covar kwargs["train_Yvar"] = ( noise_covar.noise.select(input_bdims, i).clone().unsqueeze(-1) ) if isinstance(batch_model, SingleTaskMultiFidelityGP): kwargs.update(batch_model._init_args) model = batch_model.__class__(**kwargs) model.load_state_dict(sd) models.append(model) return ModelListGP(*models)