11 add configurability to dropout in multiheadselfattention module (#12)

* feat: add configurability to dropout in MultiHeadSelfAttention Co-authored-by: Rilwan (Akanni) Adewoyin <[email protected]> * test: adjust to dropout_p * doc: update changelog * Feature/integrate reusable workflows (#16) * ci: add public pr label * ci: add readthedocs update check * ci: add downstream ci * ci: add ci-config * chore(deps): remove unused dependency * docs: update changelog * ci: switch to main * chore: changelog 0.2.1 * Update error messages from invalid sub_graph in model instantiation (#20) * ci: inherit pypi publish flow (#17) * ci: inherit pypi publish flow Co-authored-by: Helen Theissen <[email protected]> * docs: add to changelog * fix: typo in reusable workflow * fix: another typo * chore: bump actions/setup-python to v5 * ci: run downstream-ci for changes in src and tests * docs: update changelog --------- Co-authored-by: Helen Theissen <[email protected]> * Update CHANGELOG.md to KeepChangelog format * [pre-commit.ci] pre-commit autoupdate (#25) updates: - [github.com/psf/black-pre-commit-mirror: 24.4.2 → 24.8.0](psf/black-pre-commit-mirror@24.4.2...24.8.0) - [github.com/astral-sh/ruff-pre-commit: v0.4.6 → v0.6.2](astral-sh/ruff-pre-commit@v0.4.6...v0.6.2) - [github.com/tox-dev/pyproject-fmt: 2.1.3 → 2.2.1](tox-dev/pyproject-fmt@2.1.3...2.2.1) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * Ci/changelog-release-updater (#26) * ci: add changelof release updater * docs: update changelog * Feature/integrate reusable workflows (#16) * ci: add public pr label * ci: add readthedocs update check * ci: add downstream ci * ci: add ci-config * chore(deps): remove unused dependency * docs: update changelog * ci: switch to main * chore: changelog 0.2.1 * Update error messages from invalid sub_graph in model instantiation (#20) * ci: inherit pypi publish flow (#17) * ci: inherit pypi publish flow Co-authored-by: Helen Theissen <[email protected]> * docs: add to changelog * fix: typo in reusable workflow * fix: another typo * chore: bump actions/setup-python to v5 * ci: run downstream-ci for changes in src and tests * docs: update changelog --------- Co-authored-by: Helen Theissen <[email protected]> * Update CHANGELOG.md to KeepChangelog format * Ci/changelog-release-updater (#26) * ci: add changelof release updater * docs: update changelog --------- Co-authored-by: Rilwan (Akanni) Adewoyin <[email protected]> Co-authored-by: Gert Mertes <[email protected]> Co-authored-by: Mario Santa Cruz <[email protected]> Co-authored-by: Jesper Dramsch <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
ecmwf · Sep 18, 2024 · 0219266 · 0219266
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diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -14,13 +14,16 @@ Keep it human-readable, your future self will thank you!
 
 ### Added
 
+- CI workflow to update the changelog on release
+- configurabilty of the dropout probability in the the MultiHeadSelfAttention module
 - CI workflow to update the changelog on release
 - Remapper: Preprocessor for remapping one variable to multiple ones. Includes changes to the data indices since the remapper changes the number of variables. With optional config keywords.
 - Codeowners file
 - Pygrep precommit hooks
 - Docsig precommit hooks
 - Changelog merge strategy
 
+
 ### Changed
 
 - Update CI to inherit from common infrastructue reusable workflows

diff --git a/src/anemoi/models/layers/attention.py b/src/anemoi/models/layers/attention.py
@@ -40,19 +40,19 @@ def __init__(
         bias: bool = False,
         is_causal: bool = False,
         window_size: Optional[int] = None,
-        dropout: float = 0.0,
+        dropout_p: float = 0.0,
     ):
         super().__init__()
 
         assert (
             embed_dim % num_heads == 0
         ), f"Embedding dimension ({embed_dim}) must be divisible by number of heads ({num_heads})"
 
-        self.dropout = dropout
         self.num_heads = num_heads
         self.embed_dim = embed_dim
         self.head_dim = embed_dim // num_heads  # q k v
         self.window_size = (window_size, window_size)  # flash attention
+        self.dropout_p = dropout_p
         self.is_causal = is_causal
 
         self.lin_qkv = nn.Linear(embed_dim, 3 * embed_dim, bias=bias)
@@ -86,15 +86,22 @@ def forward(
         query = shard_heads(query, shapes=shapes, mgroup=model_comm_group)
         key = shard_heads(key, shapes=shapes, mgroup=model_comm_group)
         value = shard_heads(value, shapes=shapes, mgroup=model_comm_group)
+        dropout_p = self.dropout_p if self.training else 0.0
 
         if _FLASH_ATTENTION_AVAILABLE:
             query, key, value = (
                 einops.rearrange(t, "batch heads grid vars -> batch grid heads vars") for t in (query, key, value)
             )
-            out = self.attention(query, key, value, causal=False, window_size=self.window_size)
+            out = self.attention(query, key, value, causal=False, window_size=self.window_size, dropout_p=dropout_p)
             out = einops.rearrange(out, "batch grid heads vars -> batch heads grid vars")
         else:
-            out = self.attention(query, key, value, is_causal=False)  # expects (batch heads grid variable) format
+            out = self.attention(
+                query,
+                key,
+                value,
+                is_causal=False,
+                dropout_p=dropout_p,
+            )  # expects (batch heads grid variable) format
 
         out = shard_sequence(out, shapes=shapes, mgroup=model_comm_group)
         out = einops.rearrange(out, "batch heads grid vars -> (batch grid) (heads vars)")

diff --git a/src/anemoi/models/layers/block.py b/src/anemoi/models/layers/block.py
@@ -55,7 +55,15 @@ def forward(
 class TransformerProcessorBlock(BaseBlock):
     """Transformer block with MultiHeadSelfAttention and MLPs."""
 
-    def __init__(self, num_channels, hidden_dim, num_heads, activation, window_size: int):
+    def __init__(
+        self,
+        num_channels: int,
+        hidden_dim: int,
+        num_heads: int,
+        activation: str,
+        window_size: int,
+        dropout_p: float = 0.0,
+    ):
         super().__init__()
 
         try:
@@ -72,7 +80,7 @@ def __init__(self, num_channels, hidden_dim, num_heads, activation, window_size:
             window_size=window_size,
             bias=False,
             is_causal=False,
-            dropout=0.0,
+            dropout_p=dropout_p,
         )
 
         self.mlp = nn.Sequential(

diff --git a/src/anemoi/models/layers/chunk.py b/src/anemoi/models/layers/chunk.py
@@ -73,6 +73,7 @@ def __init__(
         num_heads: int = 16,
         mlp_hidden_ratio: int = 4,
         activation: str = "GELU",
+        dropout_p: float = 0.0,
     ) -> None:
         """Initialize TransformerProcessor.
 
@@ -88,6 +89,8 @@ def __init__(
             ratio of mlp hidden dimension to embedding dimension, default 4
         activation : str, optional
             Activation function, by default "GELU"
+        dropout_p: float
+            Dropout probability used for multi-head self attention, default 0.0
         """
         super().__init__(num_channels=num_channels, num_layers=num_layers)
 
@@ -98,6 +101,7 @@ def __init__(
             num_heads=num_heads,
             activation=activation,
             window_size=window_size,
+            dropout_p=dropout_p,
         )
 
     def forward(

diff --git a/src/anemoi/models/layers/processor.py b/src/anemoi/models/layers/processor.py
@@ -95,6 +95,7 @@ def __init__(
         cpu_offload: bool = False,
         num_heads: int = 16,
         mlp_hidden_ratio: int = 4,
+        dropout_p: float = 0.1,
         **kwargs,
     ) -> None:
         """Initialize TransformerProcessor.
@@ -113,6 +114,8 @@ def __init__(
             ratio of mlp hidden dimension to embedding dimension, default 4
         activation : str, optional
             Activation function, by default "GELU"
+        dropout_p: float, optional
+            Dropout probability used for multi-head self attention, default 0.0
         """
         super().__init__(
             num_channels=num_channels,
@@ -133,6 +136,7 @@ def __init__(
             num_layers=self.chunk_size,
             window_size=window_size,
             activation=activation,
+            dropout_p=dropout_p,
         )
 
         self.offload_layers(cpu_offload)

diff --git a/tests/layers/block/test_block_transformer.py b/tests/layers/block/test_block_transformer.py
@@ -29,11 +29,14 @@ class TestTransformerProcessorBlock:
         num_heads=st.integers(min_value=1, max_value=10),
         activation=st.sampled_from(["ReLU", "GELU", "Tanh"]),
         window_size=st.integers(min_value=1, max_value=512),
+        dropout_p=st.floats(min_value=0.0, max_value=1.0),
     )
     @settings(max_examples=10)
-    def test_init(self, factor_attention_heads, hidden_dim, num_heads, activation, window_size):
+    def test_init(self, factor_attention_heads, hidden_dim, num_heads, activation, window_size, dropout_p):
         num_channels = num_heads * factor_attention_heads
-        block = TransformerProcessorBlock(num_channels, hidden_dim, num_heads, activation, window_size)
+        block = TransformerProcessorBlock(
+            num_channels, hidden_dim, num_heads, activation, window_size, dropout_p=dropout_p
+        )
         assert isinstance(block, TransformerProcessorBlock)
 
         assert isinstance(block.layer_norm1, nn.LayerNorm)
@@ -49,6 +52,7 @@ def test_init(self, factor_attention_heads, hidden_dim, num_heads, activation, w
         window_size=st.integers(min_value=1, max_value=512),
         shapes=st.lists(st.integers(min_value=1, max_value=10), min_size=3, max_size=3),
         batch_size=st.integers(min_value=1, max_value=40),
+        dropout_p=st.floats(min_value=0.0, max_value=1.0),
     )
     @settings(max_examples=10)
     def test_forward_output(
@@ -60,9 +64,12 @@ def test_forward_output(
         window_size,
         shapes,
         batch_size,
+        dropout_p,
     ):
         num_channels = num_heads * factor_attention_heads
-        block = TransformerProcessorBlock(num_channels, hidden_dim, num_heads, activation, window_size)
+        block = TransformerProcessorBlock(
+            num_channels, hidden_dim, num_heads, activation, window_size, dropout_p=dropout_p
+        )
 
         x = torch.randn((batch_size, num_channels))
 

diff --git a/tests/layers/chunk/test_chunk_transformer.py b/tests/layers/chunk/test_chunk_transformer.py
@@ -20,6 +20,7 @@ def init(self):
         mlp_hidden_ratio: int = 4
         activation: str = "GELU"
         window_size: int = 13
+        dropout_p: float = 0.1
 
         # num_heads must be evenly divisible by num_channels for MHSA
         return (
@@ -29,6 +30,7 @@ def init(self):
             mlp_hidden_ratio,
             activation,
             window_size,
+            dropout_p,
         )
 
     @pytest.fixture
@@ -40,6 +42,7 @@ def processor_chunk(self, init):
             mlp_hidden_ratio,
             activation,
             window_size,
+            dropout_p,
         ) = init
         return TransformerProcessorChunk(
             num_channels=num_channels,
@@ -48,6 +51,7 @@ def processor_chunk(self, init):
             mlp_hidden_ratio=mlp_hidden_ratio,
             activation=activation,
             window_size=window_size,
+            dropout_p=dropout_p,
         )
 
     def test_all_blocks(self, processor_chunk):

diff --git a/tests/layers/processor/test_transformer_processor.py b/tests/layers/processor/test_transformer_processor.py
@@ -21,6 +21,7 @@ def transformer_processor_init():
     cpu_offload = False
     num_heads = 16
     mlp_hidden_ratio = 4
+    dropout_p = 0.1
     return (
         num_layers,
         window_size,
@@ -30,6 +31,7 @@ def transformer_processor_init():
         cpu_offload,
         num_heads,
         mlp_hidden_ratio,
+        dropout_p,
     )
 
 
@@ -44,6 +46,7 @@ def transformer_processor(transformer_processor_init):
         cpu_offload,
         num_heads,
         mlp_hidden_ratio,
+        dropout_p,
     ) = transformer_processor_init
     return TransformerProcessor(
         num_layers=num_layers,
@@ -54,6 +57,7 @@ def transformer_processor(transformer_processor_init):
         cpu_offload=cpu_offload,
         num_heads=num_heads,
         mlp_hidden_ratio=mlp_hidden_ratio,
+        dropout_p=dropout_p,
     )
 
 
@@ -67,6 +71,7 @@ def test_transformer_processor_init(transformer_processor, transformer_processor
         _cpu_offload,
         _num_heads,
         _mlp_hidden_ratio,
+        _dropout_p,
     ) = transformer_processor_init
     assert isinstance(transformer_processor, TransformerProcessor)
     assert transformer_processor.num_chunks == num_chunks
@@ -84,6 +89,7 @@ def test_transformer_processor_forward(transformer_processor, transformer_proces
         _cpu_offload,
         _num_heads,
         _mlp_hidden_ratio,
+        _dropout_p,
     ) = transformer_processor_init
     gridsize = 100
     batch_size = 1

diff --git a/tests/layers/test_attention.py b/tests/layers/test_attention.py
@@ -18,29 +18,32 @@
 @given(
     num_heads=st.integers(min_value=1, max_value=50),
     embed_dim_multiplier=st.integers(min_value=1, max_value=10),
+    dropout_p=st.floats(min_value=0.0, max_value=1.0),
 )
-def test_multi_head_self_attention_init(num_heads, embed_dim_multiplier):
+def test_multi_head_self_attention_init(num_heads, embed_dim_multiplier, dropout_p):
     embed_dim = (
         num_heads * embed_dim_multiplier
     )  # TODO: Make assert in MHSA to check if embed_dim is divisible by num_heads
-    mhsa = MultiHeadSelfAttention(num_heads, embed_dim)
+    mhsa = MultiHeadSelfAttention(num_heads, embed_dim, dropout_p=dropout_p)
 
     assert isinstance(mhsa, nn.Module)
     assert mhsa.num_heads == num_heads
     assert mhsa.embed_dim == embed_dim
     assert mhsa.head_dim == embed_dim // num_heads
+    assert dropout_p == mhsa.dropout_p
 
 
 @pytest.mark.gpu
 @given(
     batch_size=st.integers(min_value=1, max_value=64),
     num_heads=st.integers(min_value=1, max_value=20),
     embed_dim_multiplier=st.integers(min_value=1, max_value=10),
+    dropout_p=st.floats(min_value=0.0, max_value=1.0),
 )
 @settings(deadline=None)
-def test_multi_head_self_attention_forward(batch_size, num_heads, embed_dim_multiplier):
+def test_multi_head_self_attention_forward(batch_size, num_heads, embed_dim_multiplier, dropout_p):
     embed_dim = num_heads * embed_dim_multiplier
-    mhsa = MultiHeadSelfAttention(num_heads, embed_dim)
+    mhsa = MultiHeadSelfAttention(num_heads, embed_dim, dropout_p=dropout_p)
 
     x = torch.randn(batch_size * 2, embed_dim)
     shapes = [list(x.shape)]
@@ -54,10 +57,11 @@ def test_multi_head_self_attention_forward(batch_size, num_heads, embed_dim_mult
     batch_size=st.integers(min_value=1, max_value=64),
     num_heads=st.integers(min_value=1, max_value=20),
     embed_dim_multiplier=st.integers(min_value=1, max_value=10),
+    dropout_p=st.floats(min_value=0.0, max_value=1.0),
 )
-def test_multi_head_self_attention_backward(batch_size, num_heads, embed_dim_multiplier):
+def test_multi_head_self_attention_backward(batch_size, num_heads, embed_dim_multiplier, dropout_p):
     embed_dim = num_heads * embed_dim_multiplier
-    mhsa = MultiHeadSelfAttention(num_heads, embed_dim)
+    mhsa = MultiHeadSelfAttention(num_heads, embed_dim, dropout_p=dropout_p)
 
     x = torch.randn(batch_size * 2, embed_dim, requires_grad=True)
     shapes = [list(x.shape)]