Exemple #1
0
def get_proposal(
    task: Task,
    samples: torch.Tensor,
    prior_weight: float = 0.01,
    bounded: bool = True,
    density_estimator: str = "flow",
    flow_model: str = "nsf",
    **kwargs: Any,
) -> torch.Tensor:
    """Gets proposal distribution by performing density estimation on `samples`

    If `prior_weight` > 0., the proposal is defensive, i.e., the prior is mixed in

    Args:
        task: Task instance
        samples: Samples to fit
        prior_weight: Prior weight
        bounded: If True, will automatically transform proposal density to bounded space
        density_estimator: Density estimator
        flow_model: Flow to use if `density_estimator` is `flow`
        kwargs: Passed on to `get_flow` or `get_kde`

    Returns:
        Proposal distribution
    """
    tic = time.time()
    log = sbibm.get_logger(__name__)
    log.info("Get proposal distribution called")

    prior_dist = task.get_prior_dist()
    transform = task._get_transforms(
        automatic_transforms_enabled=bounded)["parameters"]

    if density_estimator == "flow":
        density_estimator_ = get_flow(model=flow_model,
                                      dim_distribution=task.dim_parameters,
                                      **kwargs)
        density_estimator_ = train_flow(density_estimator_,
                                        samples,
                                        transform=transform)

    elif density_estimator == "kde":
        density_estimator_ = get_kde(X=samples, transform=transform, **kwargs)

    else:
        raise NotImplementedError

    proposal_dist = DenfensiveProposal(
        dim=task.dim_parameters,
        proposal=density_estimator_,
        prior=prior_dist,
        prior_weight=prior_weight,
    )

    log.info(f"Proposal distribution is set up, took {time.time()-tic:.3f}sec")

    return proposal_dist
Exemple #2
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def ksd(
    task: Task,
    num_observation: int,
    samples: torch.Tensor,
    sig2: Optional[float] = None,
    log: bool = True,
) -> torch.Tensor:
    """Gets `log_prob_grad_fn` from task and runs KSD

    Args:
        task: Task
        num_observation: Observation
        samples: Samples
        sig2: Length scale
        log: Whether to log test result

    Returns:
        The test result is returned
    """
    try:
        device = get_default_device()
        site_name = "parameters"

        log_prob_grad_fn = task._get_log_prob_grad_fn(
            num_observation=num_observation,
            implementation="pyro",
            posterior=True,
            jit_compile=False,
            automatic_transform_enabled=True,
        )

        samples_transformed = task._get_transforms(automatic_transform_enabled=True)[
            site_name
        ](samples)

        def log_prob_grad_numpy(parameters: np.ndarray) -> np.ndarray:
            lpg = log_prob_grad_fn(
                torch.from_numpy(parameters.astype(np.float32)).to(device)
            )
            return lpg.detach().cpu().numpy()

        test_statistic = ksd_gaussian_kernel(
            log_prob_grad_numpy, samples_transformed, sig2=sig2
        )
        if log:
            return math.log(test_statistic)
        else:
            return test_statistic

    except:

        return torch.tensor(float("nan"))
Exemple #3
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def run(
    task: Task,
    num_samples: int,
    num_simulations: int,
    num_observation: Optional[int] = None,
    observation: Optional[torch.Tensor] = None,
    num_rounds: int = 10,
    neural_net: str = "nsf",
    hidden_features: int = 50,
    simulation_batch_size: int = 1000,
    training_batch_size: int = 10000,
    num_atoms: int = 10,
    automatic_transforms_enabled: bool = False,
    z_score_x: bool = True,
    z_score_theta: bool = True,
) -> Tuple[torch.Tensor, int, Optional[torch.Tensor]]:
    """Runs (S)NPE from `sbi`

    Args:
        task: Task instance
        num_samples: Number of samples to generate from posterior
        num_simulations: Simulation budget
        num_observation: Observation number to load, alternative to `observation`
        observation: Observation, alternative to `num_observation`
        num_rounds: Number of rounds
        neural_net: Neural network to use, one of maf / mdn / made / nsf
        hidden_features: Number of hidden features in network
        simulation_batch_size: Batch size for simulator
        training_batch_size: Batch size for training network
        num_atoms: Number of atoms, -1 means same as `training_batch_size`
        automatic_transforms_enabled: Whether to enable automatic transforms
        z_score_x: Whether to z-score x
        z_score_theta: Whether to z-score theta

    Returns:
        Samples from posterior, number of simulator calls, log probability of true params if computable
    """
    assert not (num_observation is None and observation is None)
    assert not (num_observation is not None and observation is not None)

    log = logging.getLogger(__name__)

    if num_rounds == 1:
        log.info(f"Running NPE")
        num_simulations_per_round = num_simulations
    else:
        log.info(f"Running SNPE")
        num_simulations_per_round = math.floor(num_simulations / num_rounds)

    if simulation_batch_size > num_simulations_per_round:
        simulation_batch_size = num_simulations_per_round
        log.warn("Reduced simulation_batch_size to num_simulation_per_round")

    if training_batch_size > num_simulations_per_round:
        training_batch_size = num_simulations_per_round
        log.warn("Reduced training_batch_size to num_simulation_per_round")

    prior = task.get_prior_dist()
    if observation is None:
        observation = task.get_observation(num_observation)

    simulator = task.get_simulator(max_calls=num_simulations)

    transforms = task._get_transforms(
        automatic_transforms_enabled)["parameters"]

    if automatic_transforms_enabled:
        prior = wrap_prior_dist(prior, transforms)
        simulator = wrap_simulator_fn(simulator, transforms)

    density_estimator_fun = posterior_nn(
        model=neural_net.lower(),
        hidden_features=hidden_features,
        z_score_x=z_score_x,
        z_score_theta=z_score_theta,
    )

    inference_method = inference.SNPE_C(
        prior, density_estimator=density_estimator_fun)
    posteriors = []
    proposal = prior

    for _ in range(num_rounds):
        theta, x = inference.simulate_for_sbi(
            simulator,
            proposal,
            num_simulations=num_simulations_per_round,
            simulation_batch_size=simulation_batch_size,
        )

        density_estimator = inference_method.append_simulations(
            theta, x, proposal=proposal).train(
                num_atoms=num_atoms,
                training_batch_size=training_batch_size,
                retrain_from_scratch_each_round=False,
                discard_prior_samples=False,
                use_combined_loss=False,
                show_train_summary=True,
            )
        posterior = inference_method.build_posterior(density_estimator,
                                                     sample_with_mcmc=False)
        proposal = posterior.set_default_x(observation)
        posteriors.append(posterior)

    posterior = wrap_posterior(posteriors[-1], transforms)

    assert simulator.num_simulations == num_simulations

    samples = posterior.sample((num_samples, )).detach()

    if num_observation is not None:
        true_parameters = task.get_true_parameters(
            num_observation=num_observation)
        log_prob_true_parameters = posterior.log_prob(true_parameters)
        return samples, simulator.num_simulations, log_prob_true_parameters
    else:
        return samples, simulator.num_simulations, None
Exemple #4
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def run(
    task: Task,
    num_samples: int,
    num_observation: Optional[int] = None,
    observation: Optional[torch.Tensor] = None,
    num_chains: int = 10,
    num_warmup: int = 10000,
    kernel: str = "slice",
    kernel_parameters: Optional[Dict[str, Any]] = None,
    thinning: int = 1,
    diagnostics: bool = True,
    available_cpu: int = 1,
    mp_context: str = "fork",
    jit_compile: bool = False,
    automatic_transforms_enabled: bool = True,
    initial_params: Optional[torch.Tensor] = None,
    **kwargs: Any,
) -> torch.Tensor:
    """Runs MCMC using Pyro on potential function

    Produces `num_samples` while accounting for warmup (burn-in) and thinning.

    Note that the actual number of simulations is not controlled for with MCMC since
    algorithms are only used as a reference method in the benchmark. 

    MCMC is run on the potential function, which returns the unnormalized
    negative log posterior probability. Note that this requires a tractable likelihood.
    Pyro is used to automatically construct the potential function.

    Args:
        task: Task instance
        num_samples: Number of samples to generate from posterior
        num_observation: Observation number to load, alternative to `observation`
        observation: Observation, alternative to `num_observation`
        num_chains: Number of chains
        num_warmup: Warmup steps, during which parameters of the sampler are adapted.
            Warmup samples are not returned by the algorithm.
        kernel: HMC, NUTS, or Slice
        kernel_parameters: Parameters passed to kernel
        thinning: Amount of thinning to apply, in order to avoid drawing
            correlated samples from the chain
        diagnostics: Flag for diagnostics
        available_cpu: Number of CPUs used to parallelize chains
        mp_context: multiprocessing context, only fork might work
        jit_compile: Just-in-time (JIT) compilation, can yield significant speed ups
        automatic_transforms_enabled: Whether or not to use automatic transforms
        initial_params: Parameters to initialize at

    Returns:
        Samples from posterior
    """
    assert not (num_observation is None and observation is None)
    assert not (num_observation is not None and observation is not None)

    tic = time.time()
    log = sbibm.get_logger(__name__)

    hook_fn = None
    if diagnostics:
        log.info(f"MCMC sampling for observation {num_observation}")
        tb_writer, tb_close = tb_make_writer(
            logger=log,
            basepath=
            f"tensorboard/pyro_{kernel.lower()}/observation_{num_observation}",
        )
        hook_fn = tb_make_hook_fn(tb_writer)

    if "num_simulations" in kwargs:
        warnings.warn(
            "`num_simulations` was passed as a keyword but will be ignored, see docstring for more info."
        )

    # Prepare model and transforms
    conditioned_model = task._get_pyro_model(num_observation=num_observation,
                                             observation=observation)
    transforms = task._get_transforms(
        num_observation=num_observation,
        observation=observation,
        automatic_transforms_enabled=automatic_transforms_enabled,
    )

    kernel_parameters = kernel_parameters if kernel_parameters is not None else {}
    kernel_parameters["jit_compile"] = jit_compile
    kernel_parameters["transforms"] = transforms
    log.info("Using kernel: {name}({parameters})".format(
        name=kernel,
        parameters=",".join([f"{k}={v}"
                             for k, v in kernel_parameters.items()]),
    ))
    if kernel.lower() == "nuts":
        mcmc_kernel = NUTS(model=conditioned_model, **kernel_parameters)

    elif kernel.lower() == "hmc":
        mcmc_kernel = HMC(model=conditioned_model, **kernel_parameters)

    elif kernel.lower() == "slice":
        mcmc_kernel = Slice(model=conditioned_model, **kernel_parameters)

    else:
        raise NotImplementedError

    if initial_params is not None:
        site_name = "parameters"
        initial_params = {site_name: transforms[site_name](initial_params)}
    else:
        initial_params = None

    mcmc_parameters = {
        "num_chains": num_chains,
        "num_samples": thinning * num_samples,
        "warmup_steps": num_warmup,
        "available_cpu": available_cpu,
        "initial_params": initial_params,
    }
    log.info("Calling MCMC with: MCMC({name}_kernel, {parameters})".format(
        name=kernel,
        parameters=",".join([f"{k}={v}" for k, v in mcmc_parameters.items()]),
    ))

    mcmc = MCMC(mcmc_kernel, hook_fn=hook_fn, **mcmc_parameters)
    mcmc.run()

    toc = time.time()
    log.info(f"Finished MCMC after {toc-tic:.3f} seconds")
    log.info(f"Automatic transforms {mcmc.transforms}")

    log.info(f"Apply thinning of {thinning}")
    mcmc._samples = {
        "parameters": mcmc._samples["parameters"][:, ::thinning, :]
    }

    num_samples_available = (mcmc._samples["parameters"].shape[0] *
                             mcmc._samples["parameters"].shape[1])
    if num_samples_available < num_samples:
        warnings.warn("Some samples will be included multiple times")
        samples = mcmc.get_samples(
            num_samples=num_samples,
            group_by_chain=False)["parameters"].squeeze()
    else:
        samples = mcmc.get_samples(
            group_by_chain=False)["parameters"].squeeze()
        idx = torch.randperm(samples.shape[0])[:num_samples]
        samples = samples[idx, :]

    assert samples.shape[0] == num_samples

    if diagnostics:
        mcmc.summary()
        tb_ess(tb_writer, mcmc)
        tb_r_hat(tb_writer, mcmc)
        tb_marginals(tb_writer, mcmc)
        tb_acf(tb_writer, mcmc)
        tb_posteriors(tb_writer, mcmc)
        tb_plot_posterior(tb_writer, samples, tag="posterior/final")
        tb_close()

    return samples
Exemple #5
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def run(
    task: Task,
    num_samples: int,
    num_simulations: int,
    num_observation: Optional[int] = None,
    observation: Optional[torch.Tensor] = None,
    num_rounds: int = 10,
    neural_net: str = "resnet",
    hidden_features: int = 50,
    simulation_batch_size: int = 1000,
    training_batch_size: int = 10000,
    num_atoms: int = 10,
    automatic_transforms_enabled: bool = True,
    mcmc_method: str = "slice_np_vectorized",
    mcmc_parameters: Dict[str, Any] = {
        "num_chains": 100,
        "thin": 10,
        "warmup_steps": 100,
        "init_strategy": "sir",
        "sir_batch_size": 1000,
        "sir_num_batches": 100,
    },
    z_score_x: bool = True,
    z_score_theta: bool = True,
    variant: str = "B",
) -> Tuple[torch.Tensor, int, Optional[torch.Tensor]]:
    """Runs (S)NRE from `sbi`

    Args:
        task: Task instance
        num_samples: Number of samples to generate from posterior
        num_observation: Observation number to load, alternative to `observation`
        observation: Observation, alternative to `num_observation`
        num_simulations: Simulation budget
        num_rounds: Number of rounds
        neural_net: Neural network to use, one of linear / mlp / resnet
        hidden_features: Number of hidden features in network
        simulation_batch_size: Batch size for simulator
        training_batch_size: Batch size for training network
        num_atoms: Number of atoms, -1 means same as `training_batch_size`
        automatic_transforms_enabled: Whether to enable automatic transforms
        mcmc_method: MCMC method
        mcmc_parameters: MCMC parameters
        z_score_x: Whether to z-score x
        z_score_theta: Whether to z-score theta
        variant: Can be used to switch between SNRE-A (AALR) and -B (SRE)

    Returns:
        Samples from posterior, number of simulator calls, log probability of true params if computable
    """
    assert not (num_observation is None and observation is None)
    assert not (num_observation is not None and observation is not None)

    log = logging.getLogger(__name__)

    if num_rounds == 1:
        log.info(f"Running NRE")
        num_simulations_per_round = num_simulations
    else:
        log.info(f"Running SNRE")
        num_simulations_per_round = math.floor(num_simulations / num_rounds)

    if simulation_batch_size > num_simulations_per_round:
        simulation_batch_size = num_simulations_per_round
        log.warn("Reduced simulation_batch_size to num_simulation_per_round")

    if training_batch_size > num_simulations_per_round:
        training_batch_size = num_simulations_per_round
        log.warn("Reduced training_batch_size to num_simulation_per_round")

    prior = task.get_prior_dist()
    if observation is None:
        observation = task.get_observation(num_observation)

    simulator = task.get_simulator(max_calls=num_simulations)

    transforms = task._get_transforms(
        automatic_transforms_enabled)["parameters"]
    if automatic_transforms_enabled:
        prior = wrap_prior_dist(prior, transforms)
        simulator = wrap_simulator_fn(simulator, transforms)

    classifier = classifier_nn(
        model=neural_net.lower(),
        hidden_features=hidden_features,
        z_score_x=z_score_x,
        z_score_theta=z_score_theta,
    )
    if variant == "A":
        inference_class = inference.SNRE_A
        inference_method_kwargs = {}
    elif variant == "B":
        inference_class = inference.SNRE_B
        inference_method_kwargs = {"num_atoms": num_atoms}
    else:
        raise NotImplementedError

    inference_method = inference_class(classifier=classifier, prior=prior)

    posteriors = []
    proposal = prior
    mcmc_parameters["warmup_steps"] = 25

    for r in range(num_rounds):
        theta, x = inference.simulate_for_sbi(
            simulator,
            proposal,
            num_simulations=num_simulations_per_round,
            simulation_batch_size=simulation_batch_size,
        )

        density_estimator = inference_method.append_simulations(
            theta, x, from_round=r).train(
                training_batch_size=training_batch_size,
                retrain_from_scratch_each_round=False,
                discard_prior_samples=False,
                show_train_summary=True,
                **inference_method_kwargs,
            )
        if r > 1:
            mcmc_parameters["init_strategy"] = "latest_sample"
        posterior = inference_method.build_posterior(
            density_estimator,
            mcmc_method=mcmc_method,
            mcmc_parameters=mcmc_parameters)
        # Copy hyperparameters, e.g., mcmc_init_samples for "latest_sample" strategy.
        if r > 0:
            posterior.copy_hyperparameters_from(posteriors[-1])
        proposal = posterior.set_default_x(observation)
        posteriors.append(posterior)

    posterior = wrap_posterior(posteriors[-1], transforms)

    assert simulator.num_simulations == num_simulations

    samples = posterior.sample((num_samples, )).detach()

    return samples, simulator.num_simulations, None
Exemple #6
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def run(
    task: Task,
    num_samples: int,
    num_simulations: int,
    num_observation: Optional[int] = None,
    observation: Optional[torch.Tensor] = None,
    population_size: Optional[int] = None,
    distance: Optional[str] = "l2",
    initial_round_factor: int = 5,
    batch_size: int = 1000,
    epsilon_decay: Optional[float] = 0.5,
    kernel: Optional[str] = "gaussian",
    kernel_variance_scale: Optional[float] = 0.5,
    population_strategy: Optional[str] = "constant",
    use_last_pop_samples: bool = False,
    num_workers: int = 1,
    sass: bool = False,
    sass_sample_weights: bool = False,
    sass_feature_expansion_degree: int = 1,
    sass_fraction: float = 0.5,
    lra: bool = False,
    lra_sample_weights: bool = True,
    kde_bandwidth: Optional[str] = None,
    kde_sample_weights: bool = False,
) -> Tuple[torch.Tensor, int, Optional[torch.Tensor]]:
    """ABC-SMC using pyabc toolbox

    Args:
        task: Task instance
        num_samples: Number of samples to generate from posterior
        num_simulations: Simulation budget
        num_observation: Observation number to load, alternative to `observation`
        observation: Observation, alternative to `num_observation`
        population_size: If None, uses heuristic: 1000 if `num_simulations` is greater
            than 10k, else 100
        distance: Distance function, options = {l1, l2, mse}
        epsilon_decay: Decay for epsilon, quantile based.
        kernel: Kernel distribution used to perturb the particles.
        kernel_variance_scale: Scaling factor for kernel variance.
        sass: If True, summary statistics are learned as in
            Fearnhead & Prangle 2012.
        sass_sample_weights: Whether to weigh SASS samples
        sass_feature_expansion_degree: Degree of polynomial expansion of the summary
            statistics.
        sass_fraction: Fraction of simulation budget to use for sass.
        lra: If True, posterior samples are adjusted with
            linear regression as in Beaumont et al. 2002.
        lra_sample_weights: Whether to weigh LRA samples
        kde_bandwidth: If not None, will resample using KDE when necessary, set
            e.g. to "cv" for cross-validated bandwidth selection
        kde_sample_weights: Whether to weigh KDE samples
    Returns:
        Samples from posterior, number of simulator calls, log probability of true params if computable
    """
    assert not (num_observation is None and observation is None)
    assert not (num_observation is not None and observation is not None)
    log = sbibm.get_logger(__name__)
    db = "sqlite:///" + os.path.join(
        tempfile.gettempdir(),
        f"pyabc_{time.time()}_{random.randint(0, 1e9)}.db")

    # Wrap sbibm prior and simulator for pyABC
    prior = wrap_prior(task)
    simulator = PyAbcSimulator(task)
    distance_str = distance

    if observation is None:
        observation = task.get_observation(num_observation)

    # Population size strategy
    if population_size is None:
        population_size = 100
        if num_simulations > 10_000:
            population_size = 1000

    # Find initial epsilon with rej abc run.
    initial_round_size = clip_int(
        value=initial_round_factor * population_size,
        minimum=population_size,
        maximum=max(0.5 * num_simulations, population_size),
    )
    log.info(
        f"Running REJ-ABC with {initial_round_size} samples to find initial epsilon."
    )
    _, distances = run_rejection_abc(task, initial_round_size, population_size,
                                     observation, distance_str, batch_size)
    initial_epsilon = distances[-1].item()

    # Wrap observation and distance for pyabc.
    distance = get_distance(distance_str)
    observation = np.atleast_1d(np.array(observation, dtype=float).squeeze())
    # Define quantile based epsilon decay.
    epsilon = pyabc.epsilon.QuantileEpsilon(initial_epsilon=initial_epsilon,
                                            alpha=epsilon_decay)

    # Perturbation kernel
    transition = pyabc.transition.MultivariateNormalTransition(
        scaling=kernel_variance_scale)

    population_size = min(population_size, num_simulations)

    if population_strategy == "constant":
        population_size_strategy = population_size
    elif population_strategy == "adaptive":
        raise NotImplementedError("Not implemented atm.")
        population_size_strategy = pyabc.populationstrategy.AdaptivePopulationSize(
            start_nr_particles=population_size,
            max_population_size=int(10 * population_size),
            min_population_size=int(0.1 * population_size),
        )

    # Multiprocessing
    if num_workers > 1:
        sampler = pyabc.sampler.MulticoreParticleParallelSampler(
            n_procs=num_workers)
    else:
        sampler = pyabc.sampler.SingleCoreSampler(check_max_eval=False)

    # Collect kwargs
    kwargs = dict(
        parameter_priors=[prior],
        distance_function=distance,
        population_size=population_size_strategy,
        transitions=[transition],
        eps=epsilon,
        sampler=sampler,
    )

    # Semi-automatic summary statistics.
    if sass:
        num_pilot_simulations = int(sass_fraction * num_simulations)
        log.info(f"SASS pilot run with {num_pilot_simulations} simulations.")
        kwargs["models"] = [simulator]

        # Run pyabc with fixed budget.
        pilot_theta, pilot_weights = run_pyabc(
            task,
            db,
            num_pilot_simulations,
            observation,
            pyabc_kwargs=kwargs,
            use_last_pop_samples=use_last_pop_samples,
            distance_str=distance_str,
            batch_size=batch_size,
        )

        # Regression
        # TODO: Posterior does not return xs, which we would need for
        # regression adjustment. So we will resimulate, which is
        # unneccessary. Should ideally change `inference_method` to return xs
        # if requested instead. This step thus does not count towards budget
        pilot_x = task.get_simulator(max_calls=None)(pilot_theta)

        # Run SASS.
        sumstats_transform = get_sass_transform(
            theta=pilot_theta,
            x=pilot_x,
            expansion_degree=sass_feature_expansion_degree,
            sample_weight=pilot_weights if sass_sample_weights else None,
        )

        # Update simulator to use sass summary stats.
        def sumstats_simulator(theta):
            # Pyabc simulator returns dict.
            x = simulator(theta)["data"].reshape(1, -1)
            # Transform return Tensor.
            sx = sumstats_transform(x)
            return dict(data=sx.numpy().squeeze())

        observation = sumstats_transform(observation.reshape(1, -1))
        observation = np.atleast_1d(
            np.array(observation, dtype=float).squeeze())
        log.info(f"Finished learning summary statistics.")
    else:
        sumstats_simulator = simulator
        num_pilot_simulations = 0
        population_size = min(population_size, num_simulations)

    log.info("""Running ABC-SMC-pyabc with {} simulations""".format(
        num_simulations - num_pilot_simulations))
    kwargs["models"] = [sumstats_simulator]

    # Run pyabc with fixed budget.
    particles, weights = run_pyabc(
        task,
        db,
        num_simulations=num_simulations - num_pilot_simulations,
        observation=observation,
        pyabc_kwargs=kwargs,
        use_last_pop_samples=use_last_pop_samples,
        distance_str=distance_str,
        batch_size=batch_size,
    )

    if lra:
        log.info(f"Running linear regression adjustment.")
        # TODO: Posterior does not return xs, which we would need for
        # regression adjustment. So we will resimulate, which is
        # unneccessary. Should ideally change `inference_method` to return xs
        # if requested instead.
        xs = task.get_simulator(max_calls=None)(particles)

        # NOTE: If posterior is bounded we should do the regression in
        # unbounded space, as described in https://arxiv.org/abs/1707.01254
        transform_to_unbounded = True
        transforms = task._get_transforms(transform_to_unbounded)["parameters"]

        # Update the particles with LRA.
        particles = run_lra(
            theta=particles,
            x=xs,
            observation=torch.tensor(observation,
                                     dtype=torch.float32).unsqueeze(0),
            sample_weight=weights if lra_sample_weights else None,
            transforms=transforms,
        )

        # TODO: Maybe set weights uniform because they can't be updated?
        # weights = torch.ones(particles.shape[0]) / particles.shape[0]

    if kde_bandwidth is not None:
        samples = particles

        log.info(
            f"KDE on {samples.shape[0]} samples with bandwidth option {kde_bandwidth}"
        )
        kde = get_kde(
            samples,
            bandwidth=kde_bandwidth,
            sample_weight=weights if kde_sample_weights else None,
        )
        samples = kde.sample(num_samples)
    else:
        log.info(f"Sampling {num_samples} samples from trace")
        samples = sample_with_weights(particles,
                                      weights,
                                      num_samples=num_samples)

    log.info(f"Unique samples: {torch.unique(samples, dim=0).shape[0]}")

    return samples, simulator.simulator.num_simulations, None
Exemple #7
0
def run(
    task: Task,
    num_samples: int,
    num_simulations: int,
    num_simulations_per_step: int = 100,
    num_observation: Optional[int] = None,
    observation: Optional[torch.Tensor] = None,
    automatic_transforms_enabled: bool = False,
    mcmc_method: str = "slice_np",
    mcmc_parameters: Dict[str, Any] = {},
    diag_eps: float = 0.0,
) -> (torch.Tensor, int, Optional[torch.Tensor]):
    """Runs (S)NLE from `sbi`

    Args:
        task: Task instance
        num_observation: Observation number to load, alternative to `observation`
        observation: Observation, alternative to `num_observation`
        num_samples: Number of samples to generate from posterior
        num_simulations: Simulation budget
        num_simulations_per_step: Number of simulations per MCMC step
        automatic_transforms_enabled: Whether to enable automatic transforms
        mcmc_method: MCMC method
        mcmc_parameters: MCMC parameters
        diag_eps: Epsilon applied to diagonal

    Returns:
        Samples from posterior, number of simulator calls, log probability of true params if computable
    """
    assert not (num_observation is None and observation is None)
    assert not (num_observation is not None and observation is not None)

    log = logging.getLogger(__name__)

    log.info(f"Running SL")

    prior = task.get_prior_dist()
    if observation is None:
        observation = task.get_observation(num_observation)

    simulator = task.get_simulator()

    transforms = task._get_transforms(automatic_transforms_enabled)["parameters"]
    prior = wrap_prior_dist(prior, transforms)
    simulator = wrap_simulator_fn(simulator, transforms)

    likelihood_estimator = SynthLikNet(
        simulator=simulator,
        num_simulations_per_step=num_simulations_per_step,
        diag_eps=diag_eps,
    )

    posterior = LikelihoodBasedPosterior(
        method_family="snle",
        neural_net=likelihood_estimator,
        prior=prior,
        x_shape=observation.shape,
        mcmc_parameters=mcmc_parameters,
    )

    posterior.set_default_x(observation)

    posterior = wrap_posterior(posterior, transforms)

    # assert simulator.num_simulations == num_simulations

    samples = posterior.sample((num_samples,)).detach()

    return samples, simulator.num_simulations, None