def test_dynamic_shapes(self):
# Test shape_as_value with dynamic shapes. All transformations work.
def f(x):
return jnp.sum(x, axis=0) * jax2tf.shape_as_value(x)[0]
x = np.arange(3.)
self.assertAllClose(9., jax2tf.convert(f, polymorphic_shapes=["(b,)"])(x))
self.assertAllClose(
9.,
jax2tf.convert(jax.jit(f), polymorphic_shapes=["(b,)"])(x))
self.assertAllClose(
9.,
tf.function(jax2tf.convert(f, polymorphic_shapes=["(b,)"]))(x))
res_primal, res_tangent = jax2tf.convert(
lambda x, xt: jax.jvp(f, (x,), (xt,)),
polymorphic_shapes=["b", "b"])(x, np.array([0.1, 0.2, 0.3]))
self.assertAllClose((9., 1.8), (res_primal, res_tangent))
self.assertAllClose(
np.array([3., 3., 3.]),
jax2tf.convert(jax.grad(f), polymorphic_shapes=["b"])(x))
xv = np.arange(24.).reshape((2, 3, 4))
res_vmap = jax.vmap(f, in_axes=1)(xv)
# Implement by iteration
res_iter = jnp.stack([f(xv[:, i, :]) for i in range(xv.shape[1])])
self.assertAllClose(res_iter, res_vmap)
res_mask2, _ = jax.mask(f, polymorphic_shapes=["(b,)"])([x], dict(b=2))
self.assertAllClose(2., res_mask2)
res_mask3, _ = jax.mask(f, polymorphic_shapes=["(b,)"])([x], dict(b=3))
self.assertAllClose(9., res_mask3)
def check(self, fun, in_shapes, out_shape, logical_env, padded_in_shapes,
dtypes, rng, rtol=None, atol=None):
shapecheck(in_shapes, out_shape)(fun)
masked_fun = mask(fun, in_shapes, out_shape)
padded_args = [rng(shape, dtype)
for shape, dtype in zip(padded_in_shapes, dtypes)]
padded_outs, outs_tree = tree_flatten(masked_fun(padded_args, logical_env))
out_specs, _ = tree_flatten(out_shape)
out_specs = map(parse_spec, out_specs)
out_specs = map(finalize_spec, out_specs, map(np.shape, padded_outs))
logical_out_shapes = [eval_poly_shape(s, logical_env)
for s in out_specs]
logical_out_slices = [tuple(map(slice, s)) for s in logical_out_shapes]
logical_outs = [o[s] for o, s in zip(padded_outs, logical_out_slices)]
in_specs = map(parse_spec, in_shapes)
in_specs = map(finalize_spec, in_specs, padded_in_shapes)
logical_in_shapes = [eval_poly_shape(s, logical_env)
for s in in_specs]
logical_in_slices = [tuple(map(slice, s)) for s in logical_in_shapes]
logical_args = [a[s] for a, s in zip(padded_args, logical_in_slices)]
logical_outs_expected, logical_outs_tree = tree_flatten(fun(*logical_args))
assert outs_tree == logical_outs_tree
self.assertAllClose(logical_outs, logical_outs_expected, check_dtypes=True,
atol=atol, rtol=rtol)
# Check that abstract evaluation works
padded_outs_jit, _ = tree_flatten(jit(masked_fun)(padded_args, logical_env))
self.assertAllClose(padded_outs_jit, padded_outs, check_dtypes=True,
atol=atol, rtol=rtol)
def test_add(self):
self.check(lax.add, ['n', ''], 'n', {'n': 3}, [(4,), ()], ['float_', 'float_'],
jtu.rand_default(self.rng()))
addvecs = mask(lax.add, in_shapes=['n', 'n'], out_shape='n')
x = jnp.array([3, 1, 4, 1, 5, 9])
y = jnp.array([2, 6, 5, 3, 5, 8])
ans = addvecs([x, y], dict(n=3))
expected = np.array([5, 7, 9])
self.assertAllClose(ans[:3], expected, check_dtypes=False)
thunk = lambda: addvecs([jnp.arange(5), jnp.arange(6)], dict(n=3))
self.assertRaisesRegex(ShapeError, "", thunk)
def thunk():
mask(p.bind, ['n'], 'n')([np.arange(3)], {'n': 2})
def run():
"""Runs basic example."""
# Creating graph tuples.
# Creates a GraphsTuple from scratch containing a single graph.
# The graph has 3 nodes and 2 edges.
# Each node has a 4-dimensional feature vector.
# Each edge has a 5-dimensional feature vector.
# The graph itself has a 6-dimensional feature vector.
single_graph = jraph.GraphsTuple(n_node=np.asarray([3]),
n_edge=np.asarray([2]),
nodes=np.ones((3, 4)),
edges=np.ones((2, 5)),
globals=np.ones((1, 6)),
senders=np.array([0, 1]),
receivers=np.array([2, 2]))
logging.info("Single graph %r", single_graph)
# Creates a GraphsTuple from scatch containing a single graph with nested
# feature vectors.
# The graph has 3 nodes and 2 edges.
# The feature vector can be arbitrary nested types of dict, list and tuple,
# or any other type you registered with jax.tree_util.register_pytree_node.
nested_graph = jraph.GraphsTuple(n_node=np.asarray([3]),
n_edge=np.asarray([2]),
nodes={"a": np.ones((3, 4))},
edges={"b": np.ones((2, 5))},
globals={"c": np.ones((1, 6))},
senders=np.array([0, 1]),
receivers=np.array([2, 2]))
logging.info("Nested graph %r", nested_graph)
# Creates a GraphsTuple from scratch containing a 2 graphs using an implicit
# batch dimension.
# The first graph has 3 nodes and 2 edges.
# The second graph has 1 nodes and 1 edges.
# Each node has a 4-dimensional feature vector.
# Each edge has a 5-dimensional feature vector.
# The graph itself has a 6-dimensional feature vector.
implicitly_batched_graph = jraph.GraphsTuple(n_node=np.asarray([3, 1]),
n_edge=np.asarray([2, 1]),
nodes=np.ones((4, 4)),
edges=np.ones((3, 5)),
globals=np.ones((2, 6)),
senders=np.array([0, 1, 3]),
receivers=np.array([2, 2, 3]))
logging.info("Implicitly batched graph %r", implicitly_batched_graph)
# Creates a GraphsTuple from two existing GraphsTuple using an implicit
# batch dimension.
# The GraphsTuple will contain three graphs.
implicitly_batched_graph = jraph.batch(
[single_graph, implicitly_batched_graph])
logging.info("Implicitly batched graph %r", implicitly_batched_graph)
# Creates multiple GraphsTuples from an existing GraphsTuple with an implicit
# batch dimension.
graph_1, graph_2, graph_3 = jraph.unbatch(implicitly_batched_graph)
logging.info("Unbatched graphs %r %r %r", graph_1, graph_2, graph_3)
# Creates a padded GraphsTuple from an existing GraphsTuple.
# The padded GraphsTuple will contain 10 nodes, 5 edges, and 4 graphs.
# Three graphs are added for the padding.
# First an dummy graph which contains the padding nodes and edges and secondly
# two empty graphs without nodes or edges to pad out the graphs.
padded_graph = jraph.pad_with_graphs(single_graph,
n_node=10,
n_edge=5,
n_graph=4)
logging.info("Padded graph %r", padded_graph)
# Creates a GraphsTuple from an existing padded GraphsTuple.
# The previously added padding is removed.
single_graph = jraph.unpad_with_graphs(padded_graph)
logging.info("Unpadded graph %r", single_graph)
# Creates a GraphsTuple containing a 2 graphs using an explicit batch
# dimension.
# An explicit batch dimension requires more memory, but can simplify
# the definition of functions operating on the graph.
# Explicitly batched graphs require the GraphNetwork to be transformed
# by jax.mask followed by jax.vmap.
# Using an explicit batch requires padding all feature vectors to
# the maximum size of nodes and edges.
# The first graph has 3 nodes and 2 edges.
# The second graph has 1 nodes and 1 edges.
# Each node has a 4-dimensional feature vector.
# Each edge has a 5-dimensional feature vector.
# The graph itself has a 6-dimensional feature vector.
explicitly_batched_graph = jraph.GraphsTuple(n_node=np.asarray([[3], [1]]),
n_edge=np.asarray([[2], [1]]),
nodes=np.ones((2, 3, 4)),
edges=np.ones((2, 2, 5)),
globals=np.ones((2, 1, 6)),
senders=np.array([[0, 1],
[0, -1]]),
receivers=np.array([[2, 2],
[0, -1]]))
logging.info("Explicitly batched graph %r", explicitly_batched_graph)
# Running a graph propagation steps.
# First define the update functions for the edges, nodes and globals.
# In this example we use the identity everywhere.
# For Graph neural networks, each update function is typically a neural
# network.
def update_edge_fn(edge_features, sender_node_features,
receiver_node_features, globals_):
"""Returns the update edge features."""
del sender_node_features
del receiver_node_features
del globals_
return edge_features
def update_node_fn(node_features, aggregated_sender_edge_features,
aggregated_receiver_edge_features, globals_):
"""Returns the update node features."""
del aggregated_sender_edge_features
del aggregated_receiver_edge_features
del globals_
return node_features
def update_globals_fn(aggregated_node_features, aggregated_edge_features,
globals_):
del aggregated_node_features
del aggregated_edge_features
return globals_
# Optionally define custom aggregation functions.
# In this example we use the defaults (so no need to define them explicitly).
aggregate_edges_for_nodes_fn = jax.ops.segment_sum
aggregate_nodes_for_globals_fn = jax.ops.segment_sum
aggregate_edges_for_globals_fn = jax.ops.segment_sum
# Optionally define attention logit function and attention reduce function.
# This can be used for graph attention.
# The attention function calculates attention weights, and the apply
# attention function calculates the new edge feature given the weights.
# We don't use graph attention here, and just pass the defaults.
attention_logit_fn = None
attention_reduce_fn = None
# Creates a new GraphNetwork in its most general form.
# Most of the arguments have defaults and can be omitted if a feature
# is not used.
# There are also predefined GraphNetworks available (see models.py)
network = jraph.GraphNetwork(
update_edge_fn=update_edge_fn,
update_node_fn=update_node_fn,
update_global_fn=update_globals_fn,
attention_logit_fn=attention_logit_fn,
aggregate_edges_for_nodes_fn=aggregate_edges_for_nodes_fn,
aggregate_nodes_for_globals_fn=aggregate_nodes_for_globals_fn,
aggregate_edges_for_globals_fn=aggregate_edges_for_globals_fn,
attention_reduce_fn=attention_reduce_fn)
# Runs graph propagation on (implicitly batched) graphs.
updated_graph = network(single_graph)
logging.info("Updated graph from single graph %r", updated_graph)
updated_graph = network(nested_graph)
logging.info("Updated graph from nested graph %r", nested_graph)
updated_graph = network(implicitly_batched_graph)
logging.info("Updated graph from implicitly batched graph %r",
updated_graph)
updated_graph = network(padded_graph)
logging.info("Updated graph from padded graph %r", updated_graph)
# Runs graph propagation on an explicitly batched graph.
# WARNING: This code relies on an undocumented JAX feature (jax.mask) which
# might stop working at any time!
graph_shape = jraph.GraphsTuple(
n_node="(g)",
n_edge="(g)",
nodes="(n, {})".format(explicitly_batched_graph.nodes.shape[-1]),
edges="(e, {})".format(explicitly_batched_graph.edges.shape[-1]),
globals="(g, {})".format(explicitly_batched_graph.globals.shape[-1]),
senders="(e)",
receivers="(e)")
batch_size = explicitly_batched_graph.globals.shape[0]
logical_env = {
"g": jnp.ones(batch_size, dtype=jnp.int32),
"n": jnp.sum(explicitly_batched_graph.n_node, axis=-1),
"e": jnp.sum(explicitly_batched_graph.n_edge, axis=-1)
}
try:
propagation_fn = jax.vmap(
jax.mask(network, in_shapes=[graph_shape], out_shape=graph_shape))
updated_graph = propagation_fn([explicitly_batched_graph], logical_env)
logging.info("Updated graph from explicitly batched graph %r",
updated_graph)
except Exception: # pylint: disable=broad-except
logging.warning(MASK_BROKEN_MSG)
# JIT-compile graph propagation.
# Use padded graphs to avoid re-compilation at every step!
jitted_network = jax.jit(network)
updated_graph = jitted_network(padded_graph)
logging.info("(JIT) updated graph from padded graph %r", updated_graph)
# Or use an explicit batch dimension.
try:
jitted_propagation_fn = jax.jit(propagation_fn)
updated_graph = jitted_propagation_fn([explicitly_batched_graph],
logical_env)
logging.info("(JIT) Updated graph from explicitly batched graph %r",
updated_graph)
except Exception: # pylint: disable=broad-except
logging.warning(MASK_BROKEN_MSG)
logging.info("basic.py complete!")
