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https://github.com/chanzuckerberg/cellxgene.git
synced 2026-09-22 03:08:11 +08:00
sparse column shift encoding. (#1502)
Many of our matrices are log normalized, which tends to eliminate the number of non zero values (if there were any). This prevents the matrix from being stored as a sparse matrix. The solution here is to use a simple transformation to make it sparse again. The most common value from each column is subtracted from that column. These values that were subtracted are saved in an array called X_col_shift. The cellxgene code needs to understand how to undo the transformation when operating over the X matrix. - added script to create a synthetic dataset for testing - added a script to convert an existing CXG dataset to a sparse CXG dataset
This commit is contained in:
@@ -107,6 +107,12 @@ def diffexp_ttest(adaptor, maskA, maskB, top_n=8, diffexp_lfc_cutoff=0.01):
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future.cancel()
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raise ComputeError(str(e))
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if is_sparse:
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if adaptor.has_array("X_col_shift"):
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X_col_shift = adaptor.open_array("X_col_shift")[:]
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meanA += X_col_shift
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meanB += X_col_shift
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r = diffexp_ttest_from_mean_var(
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meanA.astype(dtype),
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varA.astype(dtype),
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@@ -8,8 +8,11 @@ The organization of the TileDB structure is:
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├─ obs TileDB array containing cell (row) attributes, one attribute per
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│ dataframe column, shape (n_obs,)
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├─ var TileDB array containing gene (column) attributes, with one attribute per
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│ dataframe column, shape (n_obs,)
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│ dataframe column, shape (n_var,)
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├─ X Main count matrix as a 2D TileDB array, single unnamed numeric attribute
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├─ X_col_shift TilebDB Array used in column shift encoding, shape (n_var,), dtype = X.dtype.
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│ Single unnamed numeric attribute. If this array is sparse, and X_col_shift exists,
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│ then all values in the i'th column were subtracted by X_col_shift[i].
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├─ emb TileDB group, storing optional embeddings (group may be empty)
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│ └─ <name1> TileDB Array, single anon attribute, ND numeric array, shape (n_obs, N)
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└─ cxg_group_metadata Empty array used only to stash metadata about the overall object.
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@@ -70,6 +73,7 @@ import argparse
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import numpy as np
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from os.path import splitext, basename
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import json
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from scipy.stats import mode
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from server.common.colors import convert_anndata_category_colors_to_cxg_category_colors
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from server.common.errors import ColorFormatException
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@@ -205,7 +209,7 @@ def write_cxg(
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log(1, "\t...embeddings created")
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# X matrix
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save_X(container, adata, ctx, sparse_threshold)
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save_X(container, adata.X, ctx, sparse_threshold)
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log(1, "\t...X created")
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@@ -437,72 +441,146 @@ def create_X(X_name, shape, is_sparse):
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tiledb.DenseArray.create(X_name, schema)
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def check_sparse_X(adata, sparse_threshold):
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shape = adata.X.shape
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def evaluate_for_sparse_encoding(xdata, sparse_threshold):
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"""
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This function determines if the X matrix has a sparsity below the sparse_threshold.
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This function also returns the number of non-zeros encountered and number
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of elements evaluated. This function may return before evaluating the whole X matrix
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if it can be determined that X is not sparse enough.
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"""
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shape = xdata.shape
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stride = min(int(np.power(10, np.around(np.log10(1e9 / shape[1])))), 10_000)
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nnz = 0
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maxnnz = int(shape[0] * shape[1] * sparse_threshold / 100)
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for row in range(0, shape[0], stride):
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lim = min(row + stride, shape[0])
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a = adata.X[row:lim, :]
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a = xdata[row:lim, :]
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if type(a) is not np.ndarray:
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a = a.toarray()
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nnz += np.count_nonzero(a)
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if nnz > maxnnz:
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return (nnz, lim * shape[1])
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log(2, "\t...rows", row, "to", lim, "nnz", nnz, "nnz percent %5.2f%%" % (100 * nnz / (lim * shape[1])))
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return (False, nnz, lim * shape[1])
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log(2, "\t...rows", lim, "of", shape[0], "nnz", nnz, "nnz percent %5.2f%%" % (100 * nnz / (lim * shape[1])))
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return (nnz, shape[0] * shape[1])
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is_sparse = (100.0 * nnz / (shape[0] * shape[1])) < sparse_threshold
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return (is_sparse, nnz, shape[0] * shape[1])
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def save_X(container, adata, ctx, sparse_threshold):
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def evaluate_for_sparse_column_shift_encoding(xdata, sparse_threshold):
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"""Column shift encoding works by taking the most common value in each column, then
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subtracting that value from each element of the column. If each column mostly contains
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its most common value, then the resulting matrix can be very sparse.
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This function determines if column shift encoding can be used to transform
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the X matrix into a sparse matrix with a sparsity below the sparse_threshold.
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If so, return the col_shift array that stores this encoding.
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This function also returns the number of non-zeros encountered and number
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of elements evaluated. This function may return before evaluating the whole X matrix
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if it can be determined that X cannot benefit from column shift encoding.
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"""
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shape = xdata.shape
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stride = max(1, 128_000_000 // shape[0])
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col_shift = np.zeros(shape[1])
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nnz = 0
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maxnnz = int(shape[0] * shape[1] * sparse_threshold / 100)
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for col in range(0, shape[1], stride):
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lim = min(col + stride, shape[1])
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a = xdata[:, col:lim]
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if type(a) is not np.ndarray:
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a = a.toarray()
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m = mode(a)
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col_shift[col:lim] = m.mode
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nnz += shape[0] * (lim - col) - np.sum(m.count)
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if nnz > maxnnz:
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return (None, nnz, shape[0] * lim)
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log(2, "\t...cols", lim, "of", shape[1], "nnz",
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nnz, "nnz percent %5.2f%%" % (100 * nnz / (lim * shape[0])))
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is_sparse = (100.0 * nnz / (shape[0] * shape[1])) < sparse_threshold
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return (col_shift if is_sparse else None, nnz, shape[0] * shape[1])
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def save_X(container, xdata, ctx, sparse_threshold, expect_sparse=False):
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# Save X count matrix
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X_name = f"{container}/X"
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shape = adata.X.shape
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shape = xdata.shape
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log(1, "\t...shape:", str(shape))
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col_shift = None
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if sparse_threshold == 100:
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is_sparse = True
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elif sparse_threshold == 0:
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is_sparse = False
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else:
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nnz, nelem = check_sparse_X(adata, sparse_threshold)
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is_sparse, nnz, nelem = evaluate_for_sparse_encoding(xdata, sparse_threshold)
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percent = 100.0 * nnz / nelem
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if nelem != shape[0] * shape[1]:
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log(1, "\t...shape:", str(shape), "non-zeros percent (estimate): %6.2f" % percent)
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log(1, "\t...sparse=", is_sparse, "non-zeros percent (estimate): %6.2f" % percent)
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else:
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log(1, "\t...shape:", str(shape), "non-zeros:", nnz, "percent: %6.2f" % percent)
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log(1, "\t...sparse=", is_sparse, "non-zeros:", nnz, "percent: %6.2f" % percent)
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is_sparse = percent < sparse_threshold
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if not is_sparse:
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col_shift, nnz, nelem = evaluate_for_sparse_column_shift_encoding(xdata, sparse_threshold)
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is_sparse = col_shift is not None
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percent = 100.0 * nnz / nelem
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if nelem != shape[0] * shape[1]:
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log(1, "\t...sparse=", is_sparse, "col shift non-zeros percent (estimate): %6.2f" % percent)
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else:
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log(1, "\t...sparse=", is_sparse, "col shift non-zeros:", nnz, "percent: %6.2f" % percent)
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if expect_sparse is True and is_sparse is False:
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return False
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create_X(X_name, shape, is_sparse)
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stride = min(int(np.power(10, np.around(np.log10(1e9 / shape[1])))), 10_000)
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if is_sparse:
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log(1, "\t...output X as sparse matrix")
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if col_shift is not None:
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log(1, "\t...output X as sparse matrix with column shift encoding")
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X_col_shift_name = f"{container}/X_col_shift"
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filters = tiledb.FilterList([tiledb.ZstdFilter()])
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attrs = [tiledb.Attr(dtype=np.float32, filters=filters)]
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domain = tiledb.Domain(tiledb.Dim(domain=(0, shape[1] - 1), tile=min(shape[1], 5000), dtype=np.uint32))
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schema = tiledb.ArraySchema(domain=domain, attrs=attrs)
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tiledb.DenseArray.create(X_col_shift_name, schema)
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with tiledb.DenseArray(X_col_shift_name, mode="w", ctx=ctx) as X_col_shift:
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X_col_shift[:] = col_shift
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tiledb.consolidate(X_col_shift_name, ctx=ctx)
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else:
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log(1, "\t...output X as sparse matrix")
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with tiledb.SparseArray(X_name, mode="w", ctx=ctx) as X:
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nnz = 0
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for row in range(0, shape[0], stride):
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lim = min(row + stride, shape[0])
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a = adata.X[row:lim, :]
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a = xdata[row:lim, :]
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if type(a) is not np.ndarray:
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a = a.toarray()
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if col_shift is not None:
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a = a - col_shift
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indices = np.nonzero(a)
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trow = indices[0] + row
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nnz += indices[0].shape[0]
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X[trow, indices[1]] = a[indices[0], indices[1]]
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log(2, "\t...rows", row, "to", lim)
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tiledb.consolidate(X_name, ctx=ctx)
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log(2, "\t...rows", lim, "of", shape[0], "nnz", nnz, "sparse", nnz / (lim * shape[1]))
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else:
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log(1, "\t...output X as dense matrix")
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with tiledb.DenseArray(X_name, mode="w", ctx=ctx) as X:
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for row in range(0, shape[0], stride):
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lim = min(row + stride, shape[0])
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a = adata.X[row:lim, :]
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a = xdata[row:lim, :]
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if type(a) is not np.ndarray:
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a = a.toarray()
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X[row:lim, :] = a
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log(2, "\t...rows", row, "to", lim)
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tiledb.consolidate(X_name, ctx=ctx)
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if hasattr(tiledb, "vacuum"):
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tiledb.vacuum(X_name)
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return is_sparse
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def save_metadata(container, metadata_dict):
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@@ -0,0 +1,62 @@
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"""
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Script to create a sparse dataset in CXG format based on an input dataset in CXG format.
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The input dataset is not modified.
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"""
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import os
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import shutil
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import tiledb
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import argparse
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import sys
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import server.converters.cxgtool as cxgtool
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def main():
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parser = argparse.ArgumentParser()
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parser.add_argument("input", help="input cxg directory")
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parser.add_argument("output", help="output cxg directory")
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parser.add_argument("--overwrite", action="store_true", help="replace output cxg directory")
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parser.add_argument("--verbose", "-v", action="count", default=0, help="verbose output")
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parser.add_argument(
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"--sparse-threshold",
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"-s",
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type=float,
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default=5.0, # default is 5% non-zero values
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help="The X array will be sparse if the percent of non-zeros falls below this value",
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)
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args = parser.parse_args()
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if os.path.exists(args.output):
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print("output dir exists:", args.output)
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if args.overwrite:
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print("output dir removed:", args.output)
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shutil.rmtree(args.output)
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else:
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print("use the overwrite option to remove the output directory")
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sys.exit(1)
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if not os.path.isdir(args.input):
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print("input is not a directory", args.input)
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sys.exit(1)
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shutil.copytree(args.input, args.output,
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ignore=shutil.ignore_patterns("X", "X_col_shift"))
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ctx = tiledb.Ctx(
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{
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"sm.num_reader_threads": 32,
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"sm.num_writer_threads": 32,
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"sm.consolidation.buffer_size": 1 * 1024 * 1024 * 1024,
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}
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)
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with tiledb.DenseArray(os.path.join(args.input, "X"), mode="r", ctx=ctx) as X_in:
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is_sparse = cxgtool.save_X(args.output, X_in, ctx, args.sparse_threshold, expect_sparse=True)
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if is_sparse is False:
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print("The array is not sparse, cleaning up, abort.")
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shutil.rmtree(args.output)
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sys.exit(1)
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if __name__ == "__main__":
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main()
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@@ -241,8 +241,7 @@ class DataAdaptor(metaclass=ABCMeta):
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duplicate_columns = list(set(labels_df.columns) & set(obs_columns))
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if len(duplicate_columns) > 0:
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raise KeyError(
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"Labels file may not contain column names which overlap "
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f"with h5ad obs columns {duplicate_columns}"
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"Labels file may not contain column names which overlap " f"with h5ad obs columns {duplicate_columns}"
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)
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# labels must have same count as obs annotations
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@@ -133,6 +133,10 @@ class CxgAdaptor(DataAdaptor):
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return False
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return True
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def has_array(self, name):
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a_type = tiledb.object_type(path_join(self.url, name), ctx=self.tiledb_ctx)
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return a_type == "array"
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def _validate_and_initialize(self):
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"""
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remember, preload_validation() has already been called, so
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@@ -147,13 +151,7 @@ class CxgAdaptor(DataAdaptor):
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* version 0.1 -- metadata attache to cxg_group_metadata array.
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Same as 0, except it adds group metadata.
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"""
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a_type = tiledb.object_type(path_join(self.url, "cxg_group_metadata"), ctx=self.tiledb_ctx)
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if a_type is None:
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# version 0
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cxg_version = "0.0"
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title = None
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about = None
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elif a_type == "array":
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if self.has_array("cxg_group_metadata"):
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# version >0
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gmd = self.open_array("cxg_group_metadata")
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cxg_version = gmd.meta["cxg_version"]
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@@ -161,6 +159,11 @@ class CxgAdaptor(DataAdaptor):
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cxg_properties = json.loads(gmd.meta["cxg_properties"])
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title = cxg_properties.get("title", None)
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about = cxg_properties.get("about", None)
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else:
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# version 0
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cxg_version = "0.0"
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title = None
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about = None
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if cxg_version not in ["0.0", "0.1"]:
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raise DatasetAccessError(f"cxg matrix is not valid: {self.url}")
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@@ -251,10 +254,18 @@ class CxgAdaptor(DataAdaptor):
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data = X[:, :]
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else:
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data = X.multi_index[obs_items, var_items]
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nrows, obsindices = self.__remap_indices(X.shape[0], obs_mask, data["obs"])
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ncols, varindices = self.__remap_indices(X.shape[1], var_mask, data["var"])
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nrows, obsindices = self.__remap_indices(X.shape[0], obs_mask, data.get("coords", data)["obs"])
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ncols, varindices = self.__remap_indices(X.shape[1], var_mask, data.get("coords", data)["var"])
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densedata = np.zeros((nrows, ncols), dtype=self.get_X_array_dtype())
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densedata[obsindices, varindices] = data[""]
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if self.has_array("X_col_shift"):
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X_col_shift = self.open_array("X_col_shift")
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if var_items == slice(None):
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densedata += X_col_shift[:]
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else:
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densedata += X_col_shift.multi_index[var_items][""]
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return densedata
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else:
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@@ -60,7 +60,7 @@ def skip_if(condition, reason: str):
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return decorator
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def app_config(data_locator, backed=False):
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def app_config(data_locator, backed=False, extra={}):
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args = {
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"embeddings__names": ["umap", "tsne", "pca"],
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"presentation__max_categories": 100,
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@@ -74,6 +74,7 @@ def app_config(data_locator, backed=False):
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}
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config = AppConfig()
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config.update(**args)
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config.update(**extra)
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config.complete_config()
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return config
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@@ -0,0 +1,44 @@
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import anndata
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import argparse
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import random
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import scipy
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import numpy as np
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def main():
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parser = argparse.ArgumentParser("A command to generate test h5ad files")
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parser.add_argument("output", help="Name of the output file")
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parser.add_argument("nobs", type=int, help="Number of observations (rows)")
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parser.add_argument("nvar", type=int, help="Number of variables (columns)")
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parser.add_argument("-n", "--nnz-percent", type=float, default=100, help="percent of non-zeros")
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parser.add_argument("-c", "--col-shift", action="store_true", help="add a random value to each column")
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parser.add_argument("--seed", type=int, default=None, help="add a random value to each column")
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args = parser.parse_args()
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create_test_h5ad(args.output, args.nobs, args.nvar, args.nnz_percent, args.col_shift, args.seed)
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def create_test_h5ad(outfile, nobs, nvar, nnz_percent=100, apply_col_shift=False, seed=None):
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random.seed(seed)
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np.random.seed(seed)
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x = create_X_array(nobs, nvar, nnz_percent, apply_col_shift)
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obsm = {"X_random": np.random.rand(nobs, 2).astype(np.float32)}
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adata = anndata.AnnData(x, obsm=obsm)
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adata.write(outfile)
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def create_X_array(nobs, nvar, nnz_percent, apply_col_shift):
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if nnz_percent < 100:
|
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array = scipy.sparse.random(nobs, nvar, nnz_percent * 0.01, dtype=np.float32, format="csc")
|
||||
else:
|
||||
array = np.random.rand(nobs, nvar).astype(np.float32)
|
||||
|
||||
if apply_col_shift:
|
||||
col_shift = np.random.rand((nvar))
|
||||
array += col_shift
|
||||
|
||||
return array
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
main()
|
||||
+65
-32
@@ -4,9 +4,10 @@ from server.test import PROJECT_ROOT, app_config
|
||||
import server.compute.diffexp_cxg as diffexp_cxg
|
||||
import server.compute.diffexp_generic as diffexp_generic
|
||||
from server.converters.cxgtool import write_cxg
|
||||
from server.test.create_test_matrix import create_test_h5ad
|
||||
from server.data_common.fbs.matrix import encode_matrix_fbs, decode_matrix_fbs
|
||||
import numpy as np
|
||||
import tempfile
|
||||
import anndata
|
||||
import os
|
||||
|
||||
|
||||
@@ -14,8 +15,8 @@ class DiffExpTest(unittest.TestCase):
|
||||
"""Tests the diffexp returns the expected results for one test case, using different
|
||||
adaptor types and different algorithms."""
|
||||
|
||||
def load_dataset(self, path):
|
||||
config = app_config(path)
|
||||
def load_dataset(self, path, extra={}):
|
||||
config = app_config(path, extra=extra)
|
||||
loader = MatrixDataLoader(path)
|
||||
adaptor = loader.open(config)
|
||||
return adaptor
|
||||
@@ -28,6 +29,14 @@ class DiffExpTest(unittest.TestCase):
|
||||
mask[sel] = True
|
||||
return mask
|
||||
|
||||
def compare_diffexp_results(self, results, expects):
|
||||
self.assertEqual(len(results), len(expects))
|
||||
for result, expect in zip(results, expects):
|
||||
self.assertEqual(result[0], expect[0])
|
||||
self.assertTrue(np.isclose(result[1], expect[1], 1e-6, 1e-4))
|
||||
self.assertTrue(np.isclose(result[2], expect[2], 1e-6, 1e-4))
|
||||
self.assertTrue(np.isclose(result[3], expect[3], 1e-6, 1e-4))
|
||||
|
||||
def check_1_10_2_10(self, results):
|
||||
"""Checks the results for a specific set of rows selections"""
|
||||
expects = [
|
||||
@@ -42,12 +51,7 @@ class DiffExpTest(unittest.TestCase):
|
||||
[1575, 1.0317602, 0.007830310753043345, 1.0],
|
||||
[576, 0.97873515, 0.008272092578813124, 1.0],
|
||||
]
|
||||
self.assertEqual(len(results), len(expects))
|
||||
for result, expect in zip(results, expects):
|
||||
self.assertEqual(result[0], expect[0])
|
||||
self.assertTrue(np.isclose(result[1], expect[1], 1e-6, 1e-6))
|
||||
self.assertTrue(np.isclose(result[2], expect[2], 1e-6, 1e-6))
|
||||
self.assertTrue(np.isclose(result[3], expect[3], 1e-6, 1e-6))
|
||||
self.compare_diffexp_results(results, expects)
|
||||
|
||||
def get_X_col(self, adaptor, cols):
|
||||
varmask = np.zeros(adaptor.get_shape()[1], dtype=bool)
|
||||
@@ -86,33 +90,62 @@ class DiffExpTest(unittest.TestCase):
|
||||
self.check_1_10_2_10(results)
|
||||
|
||||
def test_cxg_sparse(self):
|
||||
self.sparse_diffexp(False)
|
||||
|
||||
def test_cxg_sparse_col_shift(self):
|
||||
self.sparse_diffexp(True)
|
||||
|
||||
def sparse_diffexp(self, apply_col_shift):
|
||||
with tempfile.TemporaryDirectory() as dirname:
|
||||
# create a sparse matrix
|
||||
h5adfile = os.path.join(dirname, "sparse.h5ad")
|
||||
create_test_h5ad(h5adfile, 2000, 2000, 10, apply_col_shift)
|
||||
adaptor_anndata = self.load_dataset(h5adfile, extra=dict(embeddings__names=[]))
|
||||
adata = adaptor_anndata.data
|
||||
|
||||
sparsename = os.path.join(dirname, "sparse.cxg")
|
||||
densename = os.path.join(dirname, "dense.cxg")
|
||||
source_h5ad = anndata.read_h5ad(f"{PROJECT_ROOT}/example-dataset/pbmc3k.h5ad")
|
||||
# create a cxg sparse array
|
||||
write_cxg(adata=source_h5ad, container=sparsename, title="pbmc3k", sparse_threshold=100)
|
||||
write_cxg(adata=source_h5ad, container=densename, title="pbmc3k", sparse_threshold=0)
|
||||
write_cxg(adata=adata, container=sparsename, title="sparse", sparse_threshold=11)
|
||||
adaptor_sparse = self.load_dataset(sparsename)
|
||||
assert adaptor_sparse.open_array("X").schema.sparse
|
||||
assert adaptor_sparse.has_array("X_col_shift") == apply_col_shift
|
||||
|
||||
densename = os.path.join(dirname, "dense.cxg")
|
||||
write_cxg(adata=adata, container=densename, title="dense", sparse_threshold=0)
|
||||
adaptor_dense = self.load_dataset(densename)
|
||||
assert not adaptor_dense.open_array("X").schema.sparse
|
||||
assert not adaptor_dense.has_array("X_col_shift")
|
||||
|
||||
col_results = []
|
||||
for adaptor in (adaptor_sparse, adaptor_dense):
|
||||
maskA = self.get_mask(adaptor, 1, 10)
|
||||
maskB = self.get_mask(adaptor, 2, 10)
|
||||
diffexp_results = diffexp_cxg.diffexp_ttest(adaptor, maskA, maskB, 10)
|
||||
self.check_1_10_2_10(diffexp_results)
|
||||
topcols = [x[0] for x in diffexp_results]
|
||||
cols = self.get_X_col(adaptor, topcols)
|
||||
assert cols.shape[0] == adaptor.get_shape()[0]
|
||||
assert cols.shape[1] == len(diffexp_results)
|
||||
col_results.append(cols)
|
||||
maskA = self.get_mask(adaptor_anndata, 1, 10)
|
||||
maskB = self.get_mask(adaptor_anndata, 2, 10)
|
||||
|
||||
x = adaptor.get_X_array()
|
||||
print(x)
|
||||
diffexp_results_anndata = diffexp_generic.diffexp_ttest(adaptor_anndata, maskA, maskB, 10)
|
||||
diffexp_results_sparse = diffexp_cxg.diffexp_ttest(adaptor_sparse, maskA, maskB, 10)
|
||||
diffexp_results_dense = diffexp_cxg.diffexp_ttest(adaptor_dense, maskA, maskB, 10)
|
||||
|
||||
for row in range(col_results[0].shape[0]):
|
||||
for col in range(col_results[0].shape[1]):
|
||||
sval = col_results[0][row][col]
|
||||
dval = col_results[1][row][col]
|
||||
self.assertTrue(np.isclose(sval, dval, 1e-6, 1e-6))
|
||||
self.compare_diffexp_results(diffexp_results_anndata, diffexp_results_sparse)
|
||||
self.compare_diffexp_results(diffexp_results_anndata, diffexp_results_dense)
|
||||
|
||||
topcols = np.array([x[0] for x in diffexp_results_anndata])
|
||||
cols_anndata = self.get_X_col(adaptor_anndata, topcols)
|
||||
cols_sparse = self.get_X_col(adaptor_sparse, topcols)
|
||||
cols_dense = self.get_X_col(adaptor_dense, topcols)
|
||||
assert cols_anndata.shape[0] == adaptor_sparse.get_shape()[0]
|
||||
assert cols_anndata.shape[1] == len(diffexp_results_anndata)
|
||||
|
||||
def convert(mat, cols):
|
||||
return decode_matrix_fbs(encode_matrix_fbs(mat, col_idx=cols)).to_numpy()
|
||||
|
||||
cols_anndata = convert(cols_anndata, topcols)
|
||||
cols_sparse = convert(cols_sparse, topcols)
|
||||
cols_dense = convert(cols_dense, topcols)
|
||||
|
||||
x = adaptor_sparse.get_X_array()
|
||||
assert x.shape == adaptor_sparse.get_shape()
|
||||
|
||||
for row in range(cols_anndata.shape[0]):
|
||||
for col in range(cols_anndata.shape[1]):
|
||||
vanndata = cols_anndata[row][col]
|
||||
vsparse = cols_sparse[row][col]
|
||||
vdense = cols_dense[row][col]
|
||||
self.assertTrue(np.isclose(vanndata, vsparse, 1e-6, 1e-6))
|
||||
self.assertTrue(np.isclose(vanndata, vdense, 1e-6, 1e-6))
|
||||
|
||||
Reference in New Issue
Block a user