hmm.py

# Copyright Contributors to the Pyro project.
# SPDX-License-Identifier: Apache-2.0

"""
Example: Hidden Markov Model
============================

In this example, we will follow [1] to construct a semi-supervised Hidden Markov
Model for a generative model with observations are words and latent variables
are categories. Instead of automatically marginalizing all discrete latent
variables (as in [2]), we will use the "forward algorithm" (which exploits the
conditional independent of a Markov model - see [3]) to iteratively do this
marginalization.

The semi-supervised problem is chosen instead of an unsupervised one because it
is hard to make the inference works for an unsupervised model (see the
discussion [4]). On the other hand, this example also illustrates the usage of
JAX's `lax.scan` primitive. The primitive will greatly improve compiling for the
model.

**References:**

    1. https://mc-stan.org/docs/2_19/stan-users-guide/hmms-section.html
    2. http://pyro.ai/examples/hmm.html
    3. https://en.wikipedia.org/wiki/Forward_algorithm
    4. https://discourse.pymc.io/t/how-to-marginalized-markov-chain-with-categorical/2230

.. image:: ../_static/img/examples/hmm.png
    :align: center
"""

import argparse
import os
import time

import matplotlib.pyplot as plt
import numpy as np
from scipy.stats import gaussian_kde

from jax import lax, random
import jax.numpy as jnp
from jax.scipy.special import logsumexp

import numpyro
import numpyro.distributions as dist
from numpyro.infer import MCMC, NUTS


def simulate_data(
    rng_key, num_categories, num_words, num_supervised_data, num_unsupervised_data
):
    rng_key, rng_key_transition, rng_key_emission = random.split(rng_key, 3)

    transition_prior = jnp.ones(num_categories)
    emission_prior = jnp.repeat(0.1, num_words)

    transition_prob = dist.Dirichlet(transition_prior).sample(
        key=rng_key_transition, sample_shape=(num_categories,)
    )
    emission_prob = dist.Dirichlet(emission_prior).sample(
        key=rng_key_emission, sample_shape=(num_categories,)
    )

    start_prob = jnp.repeat(1.0 / num_categories, num_categories)
    categories, words = [], []
    for t in range(num_supervised_data + num_unsupervised_data):
        rng_key, rng_key_transition, rng_key_emission = random.split(rng_key, 3)
        if t == 0 or t == num_supervised_data:
            category = dist.Categorical(start_prob).sample(key=rng_key_transition)
        else:
            category = dist.Categorical(transition_prob[category]).sample(
                key=rng_key_transition
            )
        word = dist.Categorical(emission_prob[category]).sample(key=rng_key_emission)
        categories.append(category)
        words.append(word)

    # split into supervised data and unsupervised data
    categories, words = jnp.stack(categories), jnp.stack(words)
    supervised_categories = categories[:num_supervised_data]
    supervised_words = words[:num_supervised_data]
    unsupervised_words = words[num_supervised_data:]
    return (
        transition_prior,
        emission_prior,
        transition_prob,
        emission_prob,
        supervised_categories,
        supervised_words,
        unsupervised_words,
    )


def forward_one_step(prev_log_prob, curr_word, transition_log_prob, emission_log_prob):
    log_prob_tmp = jnp.expand_dims(prev_log_prob, axis=1) + transition_log_prob
    log_prob = log_prob_tmp + emission_log_prob[:, curr_word]
    return logsumexp(log_prob, axis=0)


def forward_log_prob(
    init_log_prob, words, transition_log_prob, emission_log_prob, unroll_loop=False
):
    # Note: The following naive implementation will make it very slow to compile
    # and do inference. So we use lax.scan instead.
    #
    # >>> log_prob = init_log_prob
    # >>> for word in words:
    # ...     log_prob = forward_one_step(log_prob, word, transition_log_prob, emission_log_prob)
    def scan_fn(log_prob, word):
        return (
            forward_one_step(log_prob, word, transition_log_prob, emission_log_prob),
            None,  # we don't need to collect during scan
        )

    if unroll_loop:
        log_prob = init_log_prob
        for word in words:
            log_prob = forward_one_step(
                log_prob, word, transition_log_prob, emission_log_prob
            )
    else:
        log_prob, _ = lax.scan(scan_fn, init_log_prob, words)
    return log_prob


def semi_supervised_hmm(
    transition_prior,
    emission_prior,
    supervised_categories,
    supervised_words,
    unsupervised_words,
    unroll_loop=False,
):
    num_categories, num_words = transition_prior.shape[0], emission_prior.shape[0]
    transition_prob = numpyro.sample(
        "transition_prob",
        dist.Dirichlet(
            jnp.broadcast_to(transition_prior, (num_categories, num_categories))
        ),
    )
    emission_prob = numpyro.sample(
        "emission_prob",
        dist.Dirichlet(jnp.broadcast_to(emission_prior, (num_categories, num_words))),
    )

    # models supervised data;
    # here we don't make any assumption about the first supervised category, in other words,
    # we place a flat/uniform prior on it.
    numpyro.sample(
        "supervised_categories",
        dist.Categorical(transition_prob[supervised_categories[:-1]]),
        obs=supervised_categories[1:],
    )
    numpyro.sample(
        "supervised_words",
        dist.Categorical(emission_prob[supervised_categories]),
        obs=supervised_words,
    )

    # computes log prob of unsupervised data
    transition_log_prob = jnp.log(transition_prob)
    emission_log_prob = jnp.log(emission_prob)
    init_log_prob = emission_log_prob[:, unsupervised_words[0]]
    log_prob = forward_log_prob(
        init_log_prob,
        unsupervised_words[1:],
        transition_log_prob,
        emission_log_prob,
        unroll_loop,
    )
    log_prob = logsumexp(log_prob, axis=0, keepdims=True)
    # inject log_prob to potential function
    numpyro.factor("forward_log_prob", log_prob)


def print_results(posterior, transition_prob, emission_prob):
    header = semi_supervised_hmm.__name__ + " - TRAIN"
    columns = ["", "ActualProb", "Pred(p25)", "Pred(p50)", "Pred(p75)"]
    header_format = "{:>20} {:>10} {:>10} {:>10} {:>10}"
    row_format = "{:>20} {:>10.2f} {:>10.2f} {:>10.2f} {:>10.2f}"
    print("\n", "=" * 20 + header + "=" * 20, "\n")
    print(header_format.format(*columns))

    quantiles = np.quantile(posterior["transition_prob"], [0.25, 0.5, 0.75], axis=0)
    for i in range(transition_prob.shape[0]):
        for j in range(transition_prob.shape[1]):
            idx = "transition[{},{}]".format(i, j)
            print(
                row_format.format(idx, transition_prob[i, j], *quantiles[:, i, j]), "\n"
            )

    quantiles = np.quantile(posterior["emission_prob"], [0.25, 0.5, 0.75], axis=0)
    for i in range(emission_prob.shape[0]):
        for j in range(emission_prob.shape[1]):
            idx = "emission[{},{}]".format(i, j)
            print(
                row_format.format(idx, emission_prob[i, j], *quantiles[:, i, j]), "\n"
            )


def main(args):
    print("Simulating data...")
    (
        transition_prior,
        emission_prior,
        transition_prob,
        emission_prob,
        supervised_categories,
        supervised_words,
        unsupervised_words,
    ) = simulate_data(
        random.PRNGKey(1),
        num_categories=args.num_categories,
        num_words=args.num_words,
        num_supervised_data=args.num_supervised,
        num_unsupervised_data=args.num_unsupervised,
    )
    print("Starting inference...")
    rng_key = random.PRNGKey(2)
    start = time.time()
    kernel = NUTS(semi_supervised_hmm)
    mcmc = MCMC(
        kernel,
        num_warmup=args.num_warmup,
        num_samples=args.num_samples,
        num_chains=args.num_chains,
        progress_bar=False if "NUMPYRO_SPHINXBUILD" in os.environ else True,
    )
    mcmc.run(
        rng_key,
        transition_prior,
        emission_prior,
        supervised_categories,
        supervised_words,
        unsupervised_words,
        args.unroll_loop,
    )
    samples = mcmc.get_samples()
    print_results(samples, transition_prob, emission_prob)
    print("\nMCMC elapsed time:", time.time() - start)

    # make plots
    fig, ax = plt.subplots(figsize=(8, 6), constrained_layout=True)

    x = np.linspace(0, 1, 101)
    for i in range(transition_prob.shape[0]):
        for j in range(transition_prob.shape[1]):
            ax.plot(
                x,
                gaussian_kde(samples["transition_prob"][:, i, j])(x),
                label="trans_prob[{}, {}], true value = {:.2f}".format(
                    i, j, transition_prob[i, j]
                ),
            )
    ax.set(
        xlabel="Probability",
        ylabel="Frequency",
        title="Transition probability posterior",
    )
    ax.legend()

    plt.savefig("hmm_plot.pdf")


if __name__ == "__main__":
    assert numpyro.__version__.startswith("0.15.3")
    parser = argparse.ArgumentParser(description="Semi-supervised Hidden Markov Model")
    parser.add_argument("--num-categories", default=3, type=int)
    parser.add_argument("--num-words", default=10, type=int)
    parser.add_argument("--num-supervised", default=100, type=int)
    parser.add_argument("--num-unsupervised", default=500, type=int)
    parser.add_argument("-n", "--num-samples", nargs="?", default=1000, type=int)
    parser.add_argument("--num-warmup", nargs="?", default=500, type=int)
    parser.add_argument("--num-chains", nargs="?", default=1, type=int)
    parser.add_argument("--unroll-loop", action="store_true")
    parser.add_argument("--device", default="cpu", type=str, help='use "cpu" or "gpu".')
    args = parser.parse_args()

    numpyro.set_platform(args.device)
    numpyro.set_host_device_count(args.num_chains)

    main(args)