Add vectorized_particles to ELBO (#1624)

* add vectorized_particles to ELBO

* address comments

Author: fehiepsi

numpyro/infer/elbo.py

@@ -6,6 +6,7 @@
 from operator import itemgetter
 import warnings
 
+import jax
 from jax import eval_shape, random, vmap
 from jax.lax import stop_gradient
 import jax.numpy as jnp
@@ -33,6 +34,9 @@ class ELBO:
 
     :param num_particles: The number of particles/samples used to form the ELBO
         (gradient) estimators.
+    :param vectorize_particles: Whether to use `jax.vmap` to compute ELBOs over the
+        num_particles-many particles in parallel. If False use `jax.lax.map`.
+        Defaults to True.
     """
 
     """
@@ -42,8 +46,9 @@ class ELBO:
     """
     can_infer_discrete = False
 
-    def __init__(self, num_particles=1):
+    def __init__(self, num_particles=1, vectorize_particles=True):
         self.num_particles = num_particles
+        self.vectorize_particles = vectorize_particles
 
     def loss(self, rng_key, param_map, model, guide, *args, **kwargs):
         """
@@ -108,11 +113,11 @@ class Trace_ELBO(ELBO):
 
     :param num_particles: The number of particles/samples used to form the ELBO
         (gradient) estimators.
+    :param vectorize_particles: Whether to use `jax.vmap` to compute ELBOs over the
+        num_particles-many particles in parallel. If False use `jax.lax.map`.
+        Defaults to True.
     """
 
-    def __init__(self, num_particles=1):
-        self.num_particles = num_particles
-
     def loss_with_mutable_state(
         self, rng_key, param_map, model, guide, *args, **kwargs
     ):
@@ -163,7 +168,10 @@ def single_particle_elbo(rng_key):
             return {"loss": -elbo, "mutable_state": mutable_state}
         else:
             rng_keys = random.split(rng_key, self.num_particles)
-            elbos, mutable_state = vmap(single_particle_elbo)(rng_keys)
+            if self.vectorize_particles:
+                elbos, mutable_state = vmap(single_particle_elbo)(rng_keys)
+            else:
+                elbos, mutable_state = jax.lax.map(single_particle_elbo, rng_keys)
             return {"loss": -jnp.mean(elbos), "mutable_state": mutable_state}
 
 
@@ -291,7 +299,10 @@ def single_particle_elbo(rng_key):
             return {"loss": -elbo, "mutable_state": mutable_state}
         else:
             rng_keys = random.split(rng_key, self.num_particles)
-            elbos, mutable_state = vmap(single_particle_elbo)(rng_keys)
+            if self.vectorize_particles:
+                elbos, mutable_state = vmap(single_particle_elbo)(rng_keys)
+            else:
+                elbos, mutable_state = jax.lax.map(single_particle_elbo, rng_keys)
             return {"loss": -jnp.mean(elbos), "mutable_state": mutable_state}
 
 
@@ -311,6 +322,9 @@ class RenyiELBO(ELBO):
         Here :math:`\alpha \neq 1`. Default is 0.
     :param num_particles: The number of particles/samples
         used to form the objective (gradient) estimator. Default is 2.
+    :param vectorize_particles: Whether to use `jax.vmap` to compute ELBOs over the
+        num_particles-many particles in parallel. If False use `jax.lax.map`.
+        Defaults to True.
 
     Example::
 
@@ -427,7 +441,10 @@ def loss(self, rng_key, param_map, model, guide, *args, **kwargs):
         )
 
         rng_keys = random.split(rng_key, self.num_particles)
-        elbos, common_plate_scale = vmap(single_particle_elbo)(rng_keys)
+        if self.vectorize_particles:
+            elbos, common_plate_scale = vmap(single_particle_elbo)(rng_keys)
+        else:
+            elbos, common_plate_scale = jax.lax.map(single_particle_elbo, rng_keys)
         assert common_plate_scale.shape == (self.num_particles,)
         assert elbos.shape[0] == self.num_particles
         scaled_elbos = (1.0 - self.alpha) * elbos
@@ -695,8 +712,10 @@ class TraceGraph_ELBO(ELBO):
 
     can_infer_discrete = True
 
-    def __init__(self, num_particles=1):
-        super().__init__(num_particles=num_particles)
+    def __init__(self, num_particles=1, vectorize_particles=True):
+        super().__init__(
+            num_particles=num_particles, vectorize_particles=vectorize_particles
+        )
 
     def loss(self, rng_key, param_map, model, guide, *args, **kwargs):
         """
@@ -771,7 +790,10 @@ def single_particle_elbo(rng_key):
             return -single_particle_elbo(rng_key)
         else:
             rng_keys = random.split(rng_key, self.num_particles)
-            return -jnp.mean(vmap(single_particle_elbo)(rng_keys))
+            if self.vectorize_particles:
+                return -jnp.mean(vmap(single_particle_elbo)(rng_keys))
+            else:
+                return -jnp.mean(jax.lax.map(single_particle_elbo, rng_keys))
 
 
 def get_importance_trace_enum(
@@ -953,9 +975,13 @@ class TraceEnum_ELBO(ELBO):
 
     can_infer_discrete = True
 
-    def __init__(self, num_particles=1, max_plate_nesting=float("inf")):
+    def __init__(
+        self, num_particles=1, max_plate_nesting=float("inf"), vectorize_particles=True
+    ):
         self.max_plate_nesting = max_plate_nesting
-        super().__init__(num_particles=num_particles)
+        super().__init__(
+            num_particles=num_particles, vectorize_particles=vectorize_particles
+        )
 
     def loss(self, rng_key, param_map, model, guide, *args, **kwargs):
         def single_particle_elbo(rng_key):
@@ -1128,4 +1154,7 @@ def single_particle_elbo(rng_key):
             return -single_particle_elbo(rng_key)
         else:
             rng_keys = random.split(rng_key, self.num_particles)
-            return -jnp.mean(vmap(single_particle_elbo)(rng_keys))
+            if self.vectorize_particles:
+                return -jnp.mean(vmap(single_particle_elbo)(rng_keys))
+            else:
+                return -jnp.mean(jax.lax.map(single_particle_elbo, rng_keys))

test/infer/test_svi.py

@@ -170,6 +170,28 @@ def get_renyi(n=N, k=K, fix_indices=True):
         assert_allclose(atol, 0.0, atol=1e-5)
 
 
+def test_vectorized_particle():
+    data = jnp.array([1.0] * 8 + [0.0] * 2)
+
+    def model(data):
+        f = numpyro.sample("beta", dist.Beta(1.0, 1.0))
+        with numpyro.plate("N", len(data)):
+            numpyro.sample("obs", dist.Bernoulli(f), obs=data)
+
+    def guide(data):
+        alpha_q = numpyro.param("alpha_q", 1.0, constraint=constraints.positive)
+        beta_q = numpyro.param("beta_q", 1.0, constraint=constraints.positive)
+        numpyro.sample("beta", dist.Beta(alpha_q, beta_q))
+
+    vmap_results = SVI(
+        model, guide, optim.Adam(0.1), Trace_ELBO(vectorize_particles=True)
+    ).run(random.PRNGKey(0), 100, data)
+    map_results = SVI(
+        model, guide, optim.Adam(0.1), Trace_ELBO(vectorize_particles=False)
+    ).run(random.PRNGKey(0), 100, data)
+    assert_allclose(vmap_results.losses, map_results.losses, atol=1e-5)
+
+
 @pytest.mark.parametrize("elbo", [Trace_ELBO(), RenyiELBO(num_particles=10)])
 @pytest.mark.parametrize("optimizer", [optim.Adam(0.01), optimizers.adam(0.01)])
 def test_beta_bernoulli(elbo, optimizer):