Add Mean-Field Variational Inference

add some doc

remove extra tuple in base.py

change log prob to logdensity

remove fn from log density

Author: xidulu

blackjax/__init__.py

@@ -11,6 +11,7 @@
     irmh,
     mala,
     meads,
+    meanfield_vi,
     mgrad_gaussian,
     nuts,
     orbital_hmc,
@@ -45,7 +46,8 @@
     "pathfinder_adaptation",
     "adaptive_tempered_smc",  # smc
     "tempered_smc",
-    "pathfinder",  # variational inference
+    "meanfield_vi",  # variational inference
+    "pathfinder",
     "ess",  # diagnostics
     "rhat",
 ]

blackjax/base.py

@@ -1,5 +1,4 @@
 # Copyright 2020- The Blackjax Authors.
-#
 # Licensed under the Apache License, Version 2.0 (the "License");
 # you may not use this file except in compliance with the License.
 # You may obtain a copy of the License at
@@ -136,7 +135,8 @@ class VIAlgorithm(NamedTuple):
 
     """
 
-    approximate: Callable
+    init: Callable
+    step: Callable
     sample: Callable
 
 

blackjax/kernels.py

@@ -12,10 +12,11 @@
 # See the License for the specific language governing permissions and
 # limitations under the License.
 """Blackjax high-level interface with sampling algorithms."""
-from typing import Callable, Dict, NamedTuple, Optional, Union
+from typing import Callable, Dict, NamedTuple, Optional, Tuple, Union
 
 import jax
 import jax.numpy as jnp
+from optax import GradientTransformation
 
 import blackjax.adaptation as adaptation
 import blackjax.mcmc as mcmc
@@ -1251,6 +1252,11 @@ def step_fn(rng_key: PRNGKey, state):
 # -----------------------------------------------------------------------------
 
 
+class PathFinderAlgorithm(NamedTuple):
+    approximate: Callable
+    sample: Callable
+
+
 class pathfinder:
     """Implements the (basic) user interface for the pathfinder kernel.
 
@@ -1273,7 +1279,7 @@ class pathfinder:
     approximate = staticmethod(vi.pathfinder.approximate)
     sample = staticmethod(vi.pathfinder.sample)
 
-    def __new__(cls, logdensity_fn: Callable) -> VIAlgorithm:  # type: ignore[misc]
+    def __new__(cls, logdensity_fn: Callable) -> PathFinderAlgorithm:  # type: ignore[misc]
         def approximate_fn(
             rng_key: PRNGKey,
             position: PyTree,
@@ -1289,7 +1295,7 @@ def sample_fn(
         ):
             return cls.sample(rng_key, state, num_samples)
 
-        return VIAlgorithm(approximate_fn, sample_fn)
+        return PathFinderAlgorithm(approximate_fn, sample_fn)
 
 
 def pathfinder_adaptation(
@@ -1385,3 +1391,30 @@ def kernel(rng_key, state):
         return AdaptationResults(last_chain_state, kernel, parameters)
 
     return AdaptationAlgorithm(run)
+
+
+class meanfield_vi:
+    init = staticmethod(vi.meanfield_vi.init)
+    step = staticmethod(vi.meanfield_vi.step)
+    sample = staticmethod(vi.meanfield_vi.sample)
+
+    def __new__(
+        cls,
+        logdensity_fn: Callable,
+        optimizer: GradientTransformation,
+        num_samples: int = 100,
+    ):  # type: ignore[misc]
+        def init_fn(position: PyTree):
+            return cls.init(position, optimizer)
+
+        def step_fn(
+            rng_key: PRNGKey, state: vi.meanfield_vi.MFVIState
+        ) -> Tuple[vi.meanfield_vi.MFVIState, vi.meanfield_vi.MFVIInfo]:
+            return cls.step(rng_key, state, logdensity_fn, optimizer, num_samples)
+
+        def sample_fn(
+            rng_key: PRNGKey, state: vi.meanfield_vi.MFVIState, num_samples: int
+        ):
+            return cls.sample(rng_key, state, num_samples)
+
+        return VIAlgorithm(init_fn, step_fn, sample_fn)

blackjax/vi/__init__.py

@@ -1,3 +1,3 @@
-from . import pathfinder
+from . import meanfield_vi, pathfinder
 
-__all__ = ["pathfinder"]
+__all__ = ["pathfinder", "meanfield_vi"]

blackjax/vi/meanfield_vi.py

@@ -0,0 +1,131 @@
+# Copyright 2020- The Blackjax Authors.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+from typing import Callable, NamedTuple, Tuple
+
+import jax
+import jax.numpy as jnp
+import jax.scipy as jsp
+from optax import GradientTransformation, OptState
+
+from blackjax.types import PRNGKey, PyTree
+
+__all__ = ["MFVIState", "MFVIInfo", "sample", "generate_meanfield_logdensity", "step"]
+
+
+class MFVIState(NamedTuple):
+    mu: PyTree
+    rho: PyTree
+    opt_state: OptState
+
+
+class MFVIInfo(NamedTuple):
+    elbo: float
+
+
+def init(
+    position: PyTree,
+    optimizer: GradientTransformation,
+    *optimizer_args,
+    **optimizer_kwargs
+) -> MFVIState:
+    """Initialize the mean-field VI state."""
+    mu = jax.tree_map(jnp.zeros_like, position)
+    rho = jax.tree_map(lambda x: -2.0 * jnp.ones_like(x), position)
+    opt_state = optimizer.init((mu, rho))
+    return MFVIState(mu, rho, opt_state)
+
+
+def step(
+    rng_key: PRNGKey,
+    state: MFVIState,
+    logdensity_fn: Callable,
+    optimizer: GradientTransformation,
+    num_samples: int = 5,
+    stl_estimator: bool = True,
+) -> Tuple[MFVIState, MFVIInfo]:
+    """Approximate the target density using the mean-field approximation.
+
+    Parameters
+    ----------
+    rng_key
+        Key for JAX's pseudo-random number generator.
+    init_state
+        Initial state of the mean-field approximation.
+    logdensity_fn
+        Function that represents the target log-density to approximate.
+    optimizer
+        Optax `GradientTransformation` to be used for optimization.
+    num_samples
+        The number of samples that are taken from the approximation
+        at each step to compute the Kullback-Leibler divergence between
+        the approximation and the target log-density.
+    stl_estimator
+        Whether to use stick-the-landing (STL) gradient estimator [1] for gradient estimation.
+        The STL estimator has lower gradient variance by removing the score function term
+        from the gradient. It is suggested by [2] to always keep it in order for better results.
+
+    References
+    ----------
+    .. [1]: Roeder, G., Wu, Y., & Duvenaud, D. K. (2017).
+        Sticking the landing: Simple, lower-variance gradient estimators for variational inference.
+        Advances in Neural Information Processing Systems, 30.
+    .. [2]: Agrawal, A., Sheldon, D. R., & Domke, J. (2020).
+        Advances in black-box VI: Normalizing flows, importance weighting, and optimization.
+        Advances in Neural Information Processing Systems, 33.
+    """
+
+    parameters = (state.mu, state.rho)
+
+    def kl_divergence_fn(parameters):
+        mu, rho = parameters
+        z = _sample(rng_key, mu, rho, num_samples)
+        if stl_estimator:
+            mu = jax.lax.stop_gradient(mu)
+            rho = jax.lax.stop_gradient(rho)
+        logq = jax.vmap(generate_meanfield_logdensity(mu, rho))(z)
+        logp = jax.vmap(logdensity_fn)(z)
+        return (logq - logp).mean()
+
+    elbo, elbo_grad = jax.value_and_grad(kl_divergence_fn)(parameters)
+    updates, new_opt_state = optimizer.update(elbo_grad, state.opt_state, parameters)
+    new_parameters = jax.tree_map(lambda p, u: p + u, parameters, updates)
+    new_state = MFVIState(new_parameters[0], new_parameters[1], new_opt_state)
+    return new_state, MFVIInfo(elbo)
+
+
+def sample(rng_key: PRNGKey, state: MFVIState, num_samples: int = 1):
+    """Sample from the mean-field approximation."""
+    return _sample(rng_key, state.mu, state.rho, num_samples)
+
+
+def _sample(rng_key, mu, rho, num_samples):
+    sigma = jax.tree_map(jnp.exp, rho)
+    mu_flatten, unravel_fn = jax.flatten_util.ravel_pytree(mu)
+    sigma_flat, _ = jax.flatten_util.ravel_pytree(sigma)
+    flatten_sample = (
+        jax.random.normal(rng_key, (num_samples,) + mu_flatten.shape) * sigma_flat
+        + mu_flatten
+    )
+    return jax.vmap(unravel_fn)(flatten_sample)
+
+
+def generate_meanfield_logdensity(mu, rho):
+    sigma_param = jax.tree_map(jnp.exp, rho)
+
+    def meanfield_logdensity(position):
+        logq_pytree = jax.tree_map(jsp.stats.norm.logpdf, position, mu, sigma_param)
+        logq = jax.tree_map(jnp.sum, logq_pytree)
+        return jax.tree_util.tree_reduce(jnp.add, logq)
+
+    return meanfield_logdensity

docs/vi.rst

@@ -7,9 +7,15 @@ Variational Inference
   :nosignatures:
 
   pathfinder
+  meanfield_vi
 
 
 Pathfinder
 ~~~~~~~~~~
 
 .. autoclass:: blackjax.pathfinder
+
+Mean-field VI
+~~~~~~~~~~~~~
+
+.. autoclass:: blackjax.meanfield_vi

pyproject.toml

@@ -36,6 +36,7 @@ dependencies = [
     "jax>=0.3.13",
     "jaxlib>=0.3.10",
     "jaxopt>=0.5.5",
+    "optax",
     "typing-extensions>=4.4.0",
 ]
 dynamic = ["version"]

pytest.ini

@@ -1,5 +1,4 @@
 [pytest]
-addopts = -n auto
 testpaths= "tests"
 filterwarnings =
     error

tests/test_meanfield_vi.py

@@ -0,0 +1,53 @@
+import chex
+import jax
+import jax.numpy as jnp
+import jax.scipy.stats as stats
+import optax
+from absl.testing import absltest
+
+import blackjax
+
+
+class MFVITest(chex.TestCase):
+    def setUp(self):
+        super().setUp()
+        self.key = jax.random.PRNGKey(42)
+
+    def test_recover_posterior(self):
+        ground_truth = [
+            # loc, scale
+            (2, 4),
+            (3, 5),
+        ]
+
+        def logdensity_fn(x):
+            logpdf = stats.norm.logpdf(x["x_1"], *ground_truth[0]) + stats.norm.logpdf(
+                x["x_2"], *ground_truth[1]
+            )
+            return jnp.sum(logpdf)
+
+        initial_position = {"x_1": 0.0, "x_2": 0.0}
+
+        num_steps = 50_000
+        num_samples = 500
+
+        optimizer = optax.sgd(1e-2)
+        mfvi = blackjax.meanfield_vi(logdensity_fn, optimizer, num_samples)
+        state = mfvi.init(initial_position)
+
+        rng_key = self.key
+        for _ in range(num_steps):
+            rng_key, _ = jax.random.split(rng_key)
+            state, _ = jax.jit(mfvi.step)(self.key, state)
+
+        loc_1, loc_2 = state.mu["x_1"], state.mu["x_2"]
+        scale = jax.tree_map(jnp.exp, state.rho)
+        scale_1, scale_2 = scale["x_1"], scale["x_2"]
+        self.assertAlmostEqual(loc_1, ground_truth[0][0], delta=0.01)
+        self.assertAlmostEqual(scale_1, ground_truth[0][1], delta=0.01)
+        self.assertAlmostEqual(loc_2, ground_truth[1][0], delta=0.01)
+        self.assertAlmostEqual(scale_2, ground_truth[1][1], delta=0.01)
+
+
+if __name__ == "__main__":
+    absltest.main()