Further work on scalability for large biallelic genotype data computa…

…tions (#626)

* back out usage of zarr

* revert to native chunks for now

* revert to native chunks for now

malariagen_data/ag3.py

@@ -8,7 +8,7 @@
 from .anopheles import AnophelesDataResource
 
 # silence dask performance warnings
-dask.config.set(**{"array.slicing.split_large_chunks": False})  # type: ignore
+dask.config.set(**{"array.slicing.split_native_chunks": False})  # type: ignore
 
 MAJOR_VERSION_NUMBER = 3
 MAJOR_VERSION_PATH = "v3"

malariagen_data/anoph/base_params.py

@@ -248,10 +248,6 @@ def validate_sample_selection_params(
 # amounts of data.
 native_chunks: chunks = "native"
 
-# Alternative default chunk size, suitable for functions which need to
-# scan a large amount of data.
-large_chunks: chunks = "300MiB"
-
 gff_attributes: TypeAlias = Annotated[
     Optional[Union[Sequence[str], str]],
     """

malariagen_data/anoph/fst.py

@@ -115,7 +115,7 @@ def fst_gwss(
         ] = fst_params.max_cohort_size_default,
         random_seed: base_params.random_seed = 42,
         inline_array: base_params.inline_array = base_params.inline_array_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         clip_min: fst_params.clip_min = 0.0,
     ) -> Tuple[np.ndarray, np.ndarray]:
         # Change this name if you ever change the behaviour of this function, to

malariagen_data/anoph/g123.py

@@ -161,7 +161,7 @@ def g123_gwss(
         ] = g123_params.max_cohort_size_default,
         random_seed: base_params.random_seed = 42,
         inline_array: base_params.inline_array = base_params.inline_array_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
     ) -> Tuple[np.ndarray, np.ndarray]:
         # Change this name if you ever change the behaviour of this function, to
         # invalidate any previously cached data.
@@ -264,7 +264,7 @@ def g123_calibration(
         window_sizes: g123_params.window_sizes = g123_params.window_sizes_default,
         random_seed: base_params.random_seed = 42,
         inline_array: base_params.inline_array = base_params.inline_array_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
     ) -> Mapping[str, np.ndarray]:
         # Change this name if you ever change the behaviour of this function, to
         # invalidate any previously cached data.
@@ -323,7 +323,7 @@ def plot_g123_gwss_track(
         x_range: Optional[gplt_params.x_range] = None,
         output_backend: gplt_params.output_backend = gplt_params.output_backend_default,
         inline_array: base_params.inline_array = base_params.inline_array_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
     ) -> gplt_params.figure:
         # compute G123
         x, g123 = self.g123_gwss(
@@ -424,7 +424,7 @@ def plot_g123_gwss(
         show: gplt_params.show = True,
         output_backend: gplt_params.output_backend = gplt_params.output_backend_default,
         inline_array: base_params.inline_array = base_params.inline_array_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
     ) -> gplt_params.figure:
         # gwss track
         fig1 = self.plot_g123_gwss_track(
@@ -497,7 +497,7 @@ def plot_g123_calibration(
         title: Optional[gplt_params.title] = None,
         show: gplt_params.show = True,
         inline_array: base_params.inline_array = base_params.inline_array_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
     ) -> gplt_params.figure:
         # get g123 values
         calibration_runs = self.g123_calibration(

malariagen_data/anoph/h12.py

@@ -85,7 +85,7 @@ def h12_calibration(
         ] = h12_params.max_cohort_size_default,
         window_sizes: h12_params.window_sizes = h12_params.window_sizes_default,
         random_seed: base_params.random_seed = 42,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> Mapping[str, np.ndarray]:
         # Change this name if you ever change the behaviour of this function, to
@@ -143,7 +143,7 @@ def plot_h12_calibration(
         random_seed: base_params.random_seed = 42,
         title: Optional[str] = None,
         show: bool = True,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> gplt_params.figure:
         # Get H12 values.
@@ -286,7 +286,7 @@ def h12_gwss(
             base_params.max_cohort_size
         ] = h12_params.max_cohort_size_default,
         random_seed: base_params.random_seed = 42,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> Tuple[np.ndarray, np.ndarray]:
         # Change this name if you ever change the behaviour of this function, to
@@ -346,7 +346,7 @@ def plot_h12_gwss_track(
         show: gplt_params.show = True,
         x_range: Optional[gplt_params.x_range] = None,
         output_backend: gplt_params.output_backend = gplt_params.output_backend_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> gplt_params.figure:
         # Compute H12.
@@ -447,7 +447,7 @@ def plot_h12_gwss(
         genes_height: gplt_params.genes_height = gplt_params.genes_height_default,
         show: gplt_params.show = True,
         output_backend: gplt_params.output_backend = gplt_params.output_backend_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> gplt_params.figure:
         # Plot GWSS track.

malariagen_data/anoph/h1x.py

@@ -112,7 +112,7 @@ def h1x_gwss(
             base_params.max_cohort_size
         ] = h12_params.max_cohort_size_default,
         random_seed: base_params.random_seed = 42,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> Tuple[np.ndarray, np.ndarray]:
         # Change this name if you ever change the behaviour of this function, to
@@ -177,7 +177,7 @@ def plot_h1x_gwss_track(
         show: gplt_params.show = True,
         x_range: Optional[gplt_params.x_range] = None,
         output_backend: gplt_params.output_backend = gplt_params.output_backend_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> gplt_params.figure:
         # Compute H1X.
@@ -283,7 +283,7 @@ def plot_h1x_gwss(
         genes_height: gplt_params.genes_height = gplt_params.genes_height_default,
         show: gplt_params.show = True,
         output_backend: gplt_params.output_backend = gplt_params.output_backend_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> gplt_params.figure:
         # Plot GWSS track.

malariagen_data/anoph/pca.py

@@ -75,7 +75,7 @@ def pca(
         fit_exclude_samples: Optional[base_params.samples] = None,
         random_seed: base_params.random_seed = 42,
         inline_array: base_params.inline_array = base_params.inline_array_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
     ) -> Tuple[pca_params.df_pca, pca_params.evr]:
         # Change this name if you ever change the behaviour of this function, to
         # invalidate any previously cached data.

malariagen_data/anoph/snp_data.py

@@ -17,6 +17,7 @@
     DIM_VARIANT,
     CacheMiss,
     Region,
+    apply_allele_mapping,
     check_types,
     da_compress,
     da_concat,
@@ -1629,30 +1630,20 @@ def biallelic_snp_calls(
             variant_position = ds_bi["variant_position"].data
             coords["variant_position"] = ("variants",), variant_position
 
-            # Prepare allele mapping for dask computations.
-            allele_mapping_zarr = zarr.array(allele_mapping)
-            allele_mapping_dask = da_from_zarr(
-                allele_mapping_zarr, chunks="native", inline_array=True
-            )
-
             # Store alleles, transformed.
             variant_allele_dask = ds_bi["variant_allele"].data
             variant_allele_out = dask_apply_allele_mapping(
-                variant_allele_dask, allele_mapping_dask, max_allele=1
+                variant_allele_dask, allele_mapping, max_allele=1
             )
             data_vars["variant_allele"] = ("variants", "alleles"), variant_allele_out
 
             # Store allele counts, transformed.
-            ac_bi_zarr = zarr.array(ac_bi)
-            ac_bi_dask = da_from_zarr(ac_bi_zarr, chunks="native", inline_array=True)
-            ac_out = dask_apply_allele_mapping(
-                ac_bi_dask, allele_mapping_dask, max_allele=1
-            )
+            ac_out = apply_allele_mapping(ac_bi, allele_mapping, max_allele=1)
             data_vars["variant_allele_count"] = ("variants", "alleles"), ac_out
 
             # Store genotype calls, transformed.
             gt_dask = ds_bi["call_genotype"].data
-            gt_out = dask_genotype_array_map_alleles(gt_dask, allele_mapping_dask)
+            gt_out = dask_genotype_array_map_alleles(gt_dask, allele_mapping)
             data_vars["call_genotype"] = (
                 (
                     "variants",
@@ -1667,9 +1658,8 @@ def biallelic_snp_calls(
 
             # Apply conditions.
             if max_missing_an is not None or min_minor_ac is not None:
-                ac_out_computed = ac_out.compute()
                 loc_out = np.ones(ds_out.sizes["variants"], dtype=bool)
-                an = ac_out_computed.sum(axis=1)
+                an = ac_out.sum(axis=1)
 
                 # Apply missingness condition.
                 if max_missing_an is not None:
@@ -1683,7 +1673,7 @@ def biallelic_snp_calls(
 
                 # Apply minor allele count condition.
                 if min_minor_ac is not None:
-                    ac_minor = ac_out_computed.min(axis=1)
+                    ac_minor = ac_out.min(axis=1)
                     if isinstance(min_minor_ac, float):
                         ac_minor_frac = ac_minor / an
                         loc_minor = ac_minor_frac >= min_minor_ac

malariagen_data/anopheles.py

@@ -1622,7 +1622,7 @@ def cohort_diversity_stats(
         random_seed: base_params.random_seed = 42,
         n_jack: base_params.n_jack = 200,
         confidence_level: base_params.confidence_level = 0.95,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> pd.Series:
         debug = self._log.debug
@@ -1728,7 +1728,7 @@ def diversity_stats(
         random_seed: base_params.random_seed = 42,
         n_jack: base_params.n_jack = 200,
         confidence_level: base_params.confidence_level = 0.95,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> pd.DataFrame:
         # Normalise cohorts parameter.
@@ -1933,7 +1933,7 @@ def ihs_gwss(
             base_params.max_cohort_size
         ] = ihs_params.max_cohort_size_default,
         random_seed: base_params.random_seed = 42,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> Tuple[np.ndarray, np.ndarray]:
         # change this name if you ever change the behaviour of this function, to
@@ -2110,7 +2110,7 @@ def plot_ihs_gwss_track(
         show: gplt_params.show = True,
         x_range: Optional[gplt_params.x_range] = None,
         output_backend: gplt_params.output_backend = gplt_params.output_backend_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> gplt_params.figure:
         # compute ihs
@@ -2251,7 +2251,7 @@ def plot_xpehh_gwss(
         genes_height: gplt_params.genes_height = gplt_params.genes_height_default,
         show: gplt_params.show = True,
         output_backend: gplt_params.output_backend = gplt_params.output_backend_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> gplt_params.figure:
         # gwss track
@@ -2350,7 +2350,7 @@ def plot_ihs_gwss(
         genes_height: gplt_params.genes_height = gplt_params.genes_height_default,
         show: gplt_params.show = True,
         output_backend: gplt_params.output_backend = gplt_params.output_backend_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> gplt_params.figure:
         # gwss track
@@ -2445,7 +2445,7 @@ def xpehh_gwss(
             base_params.max_cohort_size
         ] = xpehh_params.max_cohort_size_default,
         random_seed: base_params.random_seed = 42,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> Tuple[np.ndarray, np.ndarray]:
         # change this name if you ever change the behaviour of this function, to
@@ -2624,7 +2624,7 @@ def plot_xpehh_gwss_track(
         show: gplt_params.show = True,
         x_range: Optional[gplt_params.x_range] = None,
         output_backend: gplt_params.output_backend = gplt_params.output_backend_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
         inline_array: base_params.inline_array = base_params.inline_array_default,
     ) -> gplt_params.figure:
         # compute xpehh
@@ -3269,7 +3269,7 @@ def plot_njt(
         max_cohort_size: Optional[base_params.max_cohort_size] = None,
         random_seed: base_params.random_seed = 42,
         inline_array: base_params.inline_array = base_params.inline_array_default,
-        chunks: base_params.chunks = base_params.large_chunks,
+        chunks: base_params.chunks = base_params.native_chunks,
     ) -> plotly_params.figure:
         from biotite.sequence.phylo import neighbor_joining  # type: ignore
         from scipy.spatial.distance import squareform  # type: ignore

malariagen_data/util.py

@@ -239,10 +239,10 @@ def da_from_zarr(
     #
     # N.B., only resize chunks in arrays with more than one dimension,
     # because resizing the one-dimensional arrays according to the same
-    # size generally leads to poor performance with our datasets.
+    # size may lead to poor performance with our datasets.
     #
     # Also, resize along the first dimension only. Again, this is something
-    # that generally works well for our datasets.
+    # that may work well for our datasets.
     #
     # Note that dask also supports this kind of argument, and so we could
     # just pass this through. However, some experiments have found this
@@ -313,8 +313,6 @@ def dask_compress_dataset(ds, indexer, dim):
     else:
         assert isinstance(indexer, np.ndarray)
         indexer_computed = indexer
-        indexer_zarr = zarr.array(indexer_computed)
-        indexer = da_from_zarr(indexer_zarr, chunks="native", inline_array=True)
 
     coords = dict()
     for k in ds.coords:
@@ -344,15 +342,22 @@ def _dask_compress_dataarray(a, indexer, indexer_computed, dim):
 
     else:
         # apply the indexing operation
-        v = da_compress(
-            indexer=indexer, data=a.data, axis=axis, indexer_computed=indexer_computed
-        )
+        data = a.data
+        if isinstance(data, da.Array):
+            v = da_compress(
+                indexer=indexer,
+                data=a.data,
+                axis=axis,
+                indexer_computed=indexer_computed,
+            )
+        else:
+            v = np.compress(indexer_computed, data, axis=axis)
 
     return v
 
 
 def da_compress(
-    indexer: da.Array,
+    indexer: da.Array | np.ndarray,
     data: da.Array,
     axis: int,
     indexer_computed: Optional[np.ndarray] = None,
@@ -373,7 +378,10 @@ def da_compress(
         indexer_computed = indexer.compute()
 
     # Ensure indexer and data are chunked in the same way.
-    indexer = indexer.rechunk((axis_old_chunks,))
+    if isinstance(indexer, da.Array):
+        indexer = indexer.rechunk((axis_old_chunks,))
+    else:
+        indexer = da.from_array(indexer, chunks=(axis_old_chunks,))
 
     # Apply the indexing operation.
     v = da.compress(indexer, data, axis=axis)
@@ -1490,12 +1498,12 @@ def apply_allele_mapping(x, mapping, max_allele):
 
 def dask_apply_allele_mapping(v, mapping, max_allele):
     assert isinstance(v, da.Array)
-    assert isinstance(mapping, da.Array)
+    assert isinstance(mapping, np.ndarray)
     assert v.ndim == 2
     assert mapping.ndim == 2
     assert v.shape[0] == mapping.shape[0]
     v = v.rechunk((v.chunks[0], -1))
-    mapping = mapping.rechunk((v.chunks[0], -1))
+    mapping = da.from_array(mapping, chunks=(v.chunks[0], -1))
     out = da.map_blocks(
         lambda xb, mb: apply_allele_mapping(xb, mb, max_allele=max_allele),
         v,
@@ -1531,11 +1539,11 @@ def genotype_array_map_alleles(gt, mapping):
 
 def dask_genotype_array_map_alleles(gt, mapping):
     assert isinstance(gt, da.Array)
-    assert isinstance(mapping, da.Array)
+    assert isinstance(mapping, np.ndarray)
     assert gt.ndim == 3
     assert mapping.ndim == 2
     assert gt.shape[0] == mapping.shape[0]
-    mapping = mapping.rechunk((gt.chunks[0], -1))
+    mapping = da.from_array(mapping, chunks=(gt.chunks[0], -1))
     gt_out = da.map_blocks(
         genotype_array_map_alleles,
         gt,