WeichenXu123 commented on code in PR #37734:
URL: https://github.com/apache/spark/pull/37734#discussion_r1064640372


##########
python/pyspark/ml/functions.py:
##########
@@ -106,6 +138,605 @@ def array_to_vector(col: Column) -> Column:
     return 
Column(sc._jvm.org.apache.spark.ml.functions.array_to_vector(_to_java_column(col)))
 
 
+def _batched(
+    data: pd.Series | pd.DataFrame | Tuple[pd.Series], batch_size: int
+) -> Iterator[pd.DataFrame]:
+    """Generator that splits a pandas dataframe/series into batches."""
+    if isinstance(data, pd.DataFrame):
+        df = data
+    elif isinstance(data, pd.Series):
+        df = pd.concat((data,), axis=1)
+    else:  # isinstance(data, Tuple[pd.Series]):
+        df = pd.concat(data, axis=1)
+
+    index = 0
+    data_size = len(df)
+    while index < data_size:
+        yield df.iloc[index : index + batch_size]
+        index += batch_size
+
+
+def _is_tensor_col(data: pd.Series | pd.DataFrame) -> bool:
+    if isinstance(data, pd.Series):
+        return data.dtype == np.object_ and isinstance(data.iloc[0], 
(np.ndarray, list))
+    elif isinstance(data, pd.DataFrame):
+        return any(data.dtypes == np.object_) and any(
+            [isinstance(d, (np.ndarray, list)) for d in data.iloc[0]]
+        )
+    else:
+        raise ValueError(
+            "Unexpected data type: {}, expected pd.Series or 
pd.DataFrame.".format(type(data))
+        )
+
+
+def _has_tensor_cols(data: pd.Series | pd.DataFrame | Tuple[pd.Series]) -> 
bool:
+    """Check if input Series/DataFrame/Tuple contains any tensor-valued 
columns."""
+    if isinstance(data, (pd.Series, pd.DataFrame)):
+        return _is_tensor_col(data)
+    else:  # isinstance(data, Tuple):
+        return any(_is_tensor_col(elem) for elem in data)
+
+
+def _validate_and_transform_multiple_inputs(
+    batch: pd.DataFrame, input_shapes: List[List[int] | None], num_input_cols: 
int
+) -> List[np.ndarray]:
+    multi_inputs = [batch[col].to_numpy() for col in batch.columns]
+    if input_shapes:
+        if len(input_shapes) == num_input_cols:
+            multi_inputs = [
+                np.vstack(v).reshape([-1] + input_shapes[i])  # type: ignore
+                if input_shapes[i]
+                else v
+                for i, v in enumerate(multi_inputs)
+            ]
+            if not all([len(x) == len(batch) for x in multi_inputs]):
+                raise ValueError("Input data does not match expected shape.")
+        else:
+            raise ValueError("input_tensor_shapes must match columns")
+
+    return multi_inputs
+
+
+def _validate_and_transform_single_input(
+    batch: pd.DataFrame,
+    input_shapes: List[List[int] | None],
+    has_tensors: bool,
+    has_tuple: bool,
+) -> np.ndarray:
+    # multiple input columns for single expected input
+    if has_tensors:
+        # tensor columns
+        if len(batch.columns) == 1:
+            # one tensor column and one expected input, vstack rows
+            single_input = np.vstack(batch.iloc[:, 0])
+        else:
+            raise ValueError(
+                "Multiple input columns found, but model expected a single "
+                "input, use `struct` or `array` to combine columns into 
tensors."
+            )
+    else:
+        # scalar columns
+        if len(batch.columns) == 1:
+            # single scalar column, remove extra dim
+            single_input = np.squeeze(batch.to_numpy())
+            if input_shapes and input_shapes[0] not in [None, [], [1]]:
+                raise ValueError("Invalid input_tensor_shape for scalar 
column.")
+        elif not has_tuple:
+            # columns grouped via struct/array, convert to single tensor
+            single_input = batch.to_numpy()
+            if input_shapes and input_shapes[0] != [len(batch.columns)]:
+                raise ValueError("Input data does not match expected shape.")
+        else:
+            raise ValueError(
+                "Multiple input columns found, but model expected a single "
+                "input, use `struct` or `array` to combine columns into 
tensors."
+            )
+
+    # if input_tensor_shapes provided, try to reshape input
+    if input_shapes:
+        if len(input_shapes) == 1:
+            single_input = single_input.reshape([-1] + input_shapes[0])  # 
type: ignore
+            if len(single_input) != len(batch):
+                raise ValueError("Input data does not match expected shape.")
+        else:
+            raise ValueError("Multiple input_tensor_shapes found, but model 
expected one input")
+
+    return single_input
+
+
+def _validate_and_transform_prediction_result(
+    preds: np.ndarray | Mapping[str, np.ndarray] | List[Mapping[str, Any]],
+    num_input_rows: int,
+    return_type: DataType,
+) -> pd.DataFrame | pd.Series:
+    """Validate numpy-based model predictions against the expected pandas_udf 
return_type and
+    transforms the predictions into an equivalent pandas DataFrame or 
Series."""
+    if isinstance(return_type, StructType):
+        struct_rtype: StructType = return_type
+        fieldNames = struct_rtype.names
+        if isinstance(preds, dict):
+            # dictionary of columns
+            predNames = list(preds.keys())
+            for field in struct_rtype.fields:
+                if isinstance(field.dataType, ArrayType):
+                    if len(preds[field.name].shape) == 2:
+                        preds[field.name] = list(preds[field.name])
+                    else:
+                        raise ValueError(
+                            "Prediction results for ArrayType must be 
two-dimensional."
+                        )
+                elif isinstance(field.dataType, supported_scalar_types):
+                    if len(preds[field.name].shape) != 1:
+                        raise ValueError(
+                            "Prediction results for scalar types must be 
one-dimensional."
+                        )
+                else:
+                    raise ValueError("Unsupported field type in return struct 
type.")
+
+                if len(preds[field.name]) != num_input_rows:
+                    raise ValueError("Prediction results must have same length 
as input data")
+
+        elif isinstance(preds, list) and isinstance(preds[0], dict):
+            # rows of dictionaries
+            predNames = list(preds[0].keys())
+            if len(preds) != num_input_rows:
+                raise ValueError("Prediction results must have same length as 
input data.")
+            for field in struct_rtype.fields:
+                if isinstance(field.dataType, ArrayType):
+                    if len(preds[0][field.name].shape) != 1:
+                        raise ValueError(
+                            "Prediction results for ArrayType must be 
one-dimensional."
+                        )
+                elif isinstance(field.dataType, supported_scalar_types):
+                    if not np.isscalar(preds[0][field.name]):
+                        raise ValueError("Invalid scalar prediction result.")
+                else:
+                    raise ValueError("Unsupported field type in return struct 
type.")
+        else:
+            raise ValueError(
+                "Prediction results for StructType must be a dictionary or "
+                "a list of dictionary, got: {}".format(type(preds))
+            )
+
+        # check column names
+        if set(predNames) != set(fieldNames):
+            raise ValueError(
+                "Prediction result columns did not match expected return_type "
+                "columns: expected {}, got: {}".format(fieldNames, predNames)
+            )
+
+        return pd.DataFrame(preds)
+    elif isinstance(return_type, ArrayType):
+        if isinstance(preds, np.ndarray):
+            if len(preds) != num_input_rows:
+                raise ValueError("Prediction results must have same length as 
input data.")
+            if len(preds.shape) != 2:
+                raise ValueError("Prediction results for ArrayType must be 
two-dimensional.")
+        else:
+            raise ValueError("Prediction results for ArrayType must be an 
ndarray.")
+
+        return pd.Series(list(preds))
+    elif isinstance(return_type, supported_scalar_types):
+        preds_array: np.ndarray = preds  # type: ignore
+        if len(preds_array) != num_input_rows:
+            raise ValueError("Prediction results must have same length as 
input data.")
+        if not (
+            (len(preds_array.shape) == 2 and preds_array.shape[1] == 1)
+            or len(preds_array.shape) == 1
+        ):
+            raise ValueError("Invalid shape for scalar prediction result.")
+
+        return pd.Series(np.squeeze(preds))  # type: ignore
+    else:
+        raise ValueError("Unsupported return type")
+
+
+def predict_batch_udf(
+    predict_batch_fn: Callable[
+        [],
+        Callable[
+            [np.ndarray | List[np.ndarray]],
+            np.ndarray | Mapping[str, np.ndarray] | List[Mapping[str, 
np.dtype]],
+        ],
+    ],
+    *,
+    return_type: DataType,
+    batch_size: int,
+    input_tensor_shapes: List[List[int] | None] | Mapping[int, List[int]] | 
None = None,
+) -> UserDefinedFunctionLike:
+    """Given a function which loads a model, returns a pandas_udf for 
inferencing over that model.
+
+    This will handle:
+    - conversion of the Spark DataFrame to numpy arrays.
+    - batching of the inputs sent to the model predict() function.
+    - caching of the model and prediction function on the executors.
+
+    This assumes that the `predict_batch_fn` encapsulates all of the necessary 
dependencies for
+    running the model or the Spark executor environment already satisfies all 
runtime requirements.
+
+    For the conversion of Spark DataFrame to numpy, the following table 
describes the behavior,
+    where tensor columns in the Spark DataFrame must be represented as a 
flattened 1-D array/list.
+
+    | dataframe \\ model | single input | multiple inputs |
+    | :----------------- | :----------- | :-------------- |
+    | single-col scalar  | 1            | N/A             |
+    | single-col tensor  | 1,2          | N/A             |
+    | multi-col scalar   | 3            | 4               |
+    | multi-col tensor   | N/A          | 4,2             |
+
+    Notes:
+    1. pass through dataframe column => model input as single numpy array.
+    2. reshape flattened tensors into expected tensor shapes.
+    3. user must use `pyspark.sql.functions.struct()` or 
`pyspark.sql.functions.array()` to
+       combine multiple input columns into the equivalent of a single-col 
tensor.
+    4. pass thru dataframe column => model input as an ordered list of numpy 
arrays.
+
+    Example (single-col tensor):
+
+    Input DataFrame has a single column with a flattened tensor value, 
represented as an array of
+    float.
+    ```
+    from pyspark.ml.functions import predict_batch_udf
+
+    def predict_batch_fn():
+        # load/init happens once per python worker
+        import tensorflow as tf
+        model = tf.keras.models.load_model('/path/to/mnist_model')
+
+        # predict on batches of tasks/partitions, using cached model
+        def predict(inputs: np.ndarray) -> np.ndarray:
+            # inputs.shape = [batch_size, 784]
+            # outputs.shape = [batch_size, 10], return_type = 
ArrayType(FloatType())
+            return model.predict(inputs)
+
+        return predict
+
+    mnist = predict_batch_udf(predict_batch_fn,
+                              return_type=ArrayType(FloatType()),
+                              batch_size=100,
+                              input_tensor_shapes=[[784]])
+
+    df = spark.read.parquet("/path/to/mnist_data")
+    df.show(5)
+    # +--------------------+
+    # |                data|
+    # +--------------------+
+    # |[0.0, 0.0, 0.0, 0...|
+    # |[0.0, 0.0, 0.0, 0...|
+    # |[0.0, 0.0, 0.0, 0...|
+    # |[0.0, 0.0, 0.0, 0...|
+    # |[0.0, 0.0, 0.0, 0...|
+    # +--------------------+
+
+    df.withColumn("preds", mnist("data")).show(5)
+    # +--------------------+--------------------+
+    # |                data|               preds|
+    # +--------------------+--------------------+
+    # |[0.0, 0.0, 0.0, 0...|[-13.511008, 8.84...|
+    # |[0.0, 0.0, 0.0, 0...|[-5.3957458, -2.2...|
+    # |[0.0, 0.0, 0.0, 0...|[-7.2014456, -8.8...|
+    # |[0.0, 0.0, 0.0, 0...|[-19.466187, -13....|
+    # |[0.0, 0.0, 0.0, 0...|[-5.7757926, -7.8...|
+    # +--------------------+--------------------+
+    ```
+
+    Example (single-col scalar):
+
+    Input DataFrame has a single scalar column, which will be passed to the 
`predict` function as
+    a 1-D numpy array.
+    ```
+    import numpy as np
+    import pandas as pd
+    from pyspark.ml.functions import predict_batch_udf
+    from pyspark.sql.types import FloatType
+
+    df = spark.createDataFrame(pd.DataFrame(np.arange(100)))
+    df.show(5)
+    # +---+
+    # |  0|
+    # +---+
+    # |  0|
+    # |  1|
+    # |  2|
+    # |  3|
+    # |  4|
+    # +---+
+
+    def predict_batch_fn():
+        def predict(inputs: np.ndarray) -> np.ndarray:
+            # inputs.shape = [batch_size]
+            # outputs.shape = [batch_size], return_type = FloatType()
+            return inputs * 2
+
+        return predict
+
+    times_two = predict_batch_udf(predict_batch_fn,
+                                  return_type=FloatType(),
+                                  batch_size=10)
+
+    df = spark.createDataFrame(pd.DataFrame(np.arange(100)))
+    df.withColumn("x2", times_two("0")).show(5)
+    # +---+---+
+    # |  0| x2|
+    # +---+---+
+    # |  0|0.0|
+    # |  1|2.0|
+    # |  2|4.0|
+    # |  3|6.0|
+    # |  4|8.0|
+    # +---+---+
+    ```
+
+    Example (multi-col scalar):
+
+    Input DataFrame has muliple columns of scalar values.  If the 
user-provided `predict` function
+    expects a single input, then the user should combine multiple columns into 
a single tensor using
+    `pyspark.sql.functions.struct` or `pyspark.sql.functions.array`.
+    ```
+    import numpy as np
+    import pandas as pd
+    from pyspark.ml.functions import predict_batch_udf
+    from pyspark.sql.functions import struct
+
+    data = np.arange(0, 1000, dtype=np.float64).reshape(-1, 4)
+    pdf = pd.DataFrame(data, columns=['a','b','c','d'])
+    df = spark.createDataFrame(pdf)
+    # +----+----+----+----+
+    # |   a|   b|   c|   d|
+    # +----+----+----+----+
+    # | 0.0| 1.0| 2.0| 3.0|
+    # | 4.0| 5.0| 6.0| 7.0|
+    # | 8.0| 9.0|10.0|11.0|
+    # |12.0|13.0|14.0|15.0|
+    # |16.0|17.0|18.0|19.0|
+    # +----+----+----+----+
+
+    def predict_batch_fn():
+        def predict(inputs: np.ndarray) -> np.ndarray:
+            # inputs.shape = [batch_size, 4]
+            # outputs.shape = [batch_size], return_type = FloatType()
+            return np.sum(inputs, axis=1)
+
+        return predict
+
+    sum_rows = predict_batch_udf(predict_batch_fn,
+                                 return_type=FloatType(),
+                                 batch_size=10,
+                                 input_tensor_shapes=[[4]])
+
+    df.withColumn("sum", sum_rows(struct("a", "b", "c", "d"))).show(5)
+    # +----+----+----+----+----+
+    # |   a|   b|   c|   d| sum|
+    # +----+----+----+----+----+
+    # | 0.0| 1.0| 2.0| 3.0| 6.0|
+    # | 4.0| 5.0| 6.0| 7.0|22.0|
+    # | 8.0| 9.0|10.0|11.0|38.0|
+    # |12.0|13.0|14.0|15.0|54.0|
+    # |16.0|17.0|18.0|19.0|70.0|
+    # +----+----+----+----+----+
+
+    # Note: if the `predict` function expects multiple inputs, then the number 
of selected columns
+    # must match the number of expected inputs.
+
+    def predict_batch_fn():
+        def predict(x1: np.ndarray, x2: np.ndarray, x3: np.ndarray, x4: 
np.ndarray) -> np.ndarray:
+            # xN.shape = [batch_size]
+            # outputs.shape = [batch_size], return_type = FloatType()
+            return x1 + x2 + x3 + x4
+
+        return predict
+
+    sum_rows = predict_batch_udf(predict_batch_fn,
+                                 return_type=FloatType(),
+                                 batch_size=10)
+
+    df.withColumn("sum", sum_rows("a", "b", "c", "d")).show(5)
+    # +----+----+----+----+----+
+    # |   a|   b|   c|   d| sum|
+    # +----+----+----+----+----+
+    # | 0.0| 1.0| 2.0| 3.0| 6.0|
+    # | 4.0| 5.0| 6.0| 7.0|22.0|
+    # | 8.0| 9.0|10.0|11.0|38.0|
+    # |12.0|13.0|14.0|15.0|54.0|
+    # |16.0|17.0|18.0|19.0|70.0|
+    # +----+----+----+----+----+
+    ```
+
+    Example (multi-col tensor):
+
+    Input DataFrame has multiple columns, where each column is a tensor.  The 
number of columns
+    should match the number of expected inputs for the user-provided `predict` 
function.
+    ```
+    import numpy as np
+    import pandas as pd
+    from pyspark.ml.functions import predict_batch_udf
+    from pyspark.sql.types import FloatType, StructType, StructField
+    from typing import Mapping
+
+    data = np.arange(0, 1000, dtype=np.float64).reshape(-1, 4)
+    pdf = pd.DataFrame(data, columns=['a','b','c','d'])
+    pdf_tensor = pd.DataFrame()
+    pdf_tensor['t1'] = pdf.values.tolist()
+    pdf_tensor['t2'] = pdf.drop(columns='d').values.tolist()
+    df = spark.createDataFrame(pdf_tensor)
+    df.show(5)
+    # +--------------------+------------------+
+    # |                  t1|                t2|
+    # +--------------------+------------------+
+    # |[0.0, 1.0, 2.0, 3.0]|   [0.0, 1.0, 2.0]|
+    # |[4.0, 5.0, 6.0, 7.0]|   [4.0, 5.0, 6.0]|
+    # |[8.0, 9.0, 10.0, ...|  [8.0, 9.0, 10.0]|
+    # |[12.0, 13.0, 14.0...|[12.0, 13.0, 14.0]|
+    # |[16.0, 17.0, 18.0...|[16.0, 17.0, 18.0]|
+    # +--------------------+------------------+
+
+    def multi_sum_fn():
+        def predict(x1: np.ndarray, x2: np.ndarray) -> np.ndarray:
+            # x1.shape = [batch_size, 4]
+            # x2.shape = [batch_size, 3]
+            # outputs.shape = [batch_size], result_type = FloatType()
+            return np.sum(x1, axis=1) + np.sum(x2, axis=1)
+
+        return predict
+
+    sum_cols = predict_batch_udf(
+        multi_sum_fn,
+        return_type=FloatType(),
+        batch_size=5,
+        input_tensor_shapes=[[4], [3]],
+    )
+
+    df.withColumn("sum", sum_cols("t1", "t2")).show(5)
+    # +--------------------+------------------+-----+
+    # |                  t1|                t2|  sum|
+    # +--------------------+------------------+-----+
+    # |[0.0, 1.0, 2.0, 3.0]|   [0.0, 1.0, 2.0]|  9.0|
+    # |[4.0, 5.0, 6.0, 7.0]|   [4.0, 5.0, 6.0]| 37.0|
+    # |[8.0, 9.0, 10.0, ...|  [8.0, 9.0, 10.0]| 65.0|
+    # |[12.0, 13.0, 14.0...|[12.0, 13.0, 14.0]| 93.0|
+    # |[16.0, 17.0, 18.0...|[16.0, 17.0, 18.0]|121.0|
+    # +--------------------+------------------+-----+
+
+    # Note that some models can provide multiple outputs.  These can be 
returned as a dictionary
+    # of named values, which can be represented in columnar (or row-based) 
formats.
+
+    def multi_sum_fn():
+        def predict_columnar(x1: np.ndarray, x2: np.ndarray) -> Mapping[str, 
np.ndarray]:
+            # x1.shape = [batch_size, 4]
+            # x2.shape = [batch_size, 3]
+            return {
+                "sum1": np.sum(x1, axis=1),
+                "sum2": np.sum(x2, axis=1)
+            }  # return_type = StructType()
+
+        return predict_columnar
+
+    sum_cols = predict_batch_udf(
+        multi_sum_fn,
+        return_type=StructType([
+            StructField("sum1", FloatType(), True),
+            StructField("sum2", FloatType(), True)
+        ])
+        batch_size=5,
+        input_tensor_shapes=[[4], [3]],
+    )
+
+    df.withColumn("preds", sum_cols("t1", "t2")).select("t1", "t2", 
"preds.*").show(5)
+    # +--------------------+------------------+----+----+
+    # |                  t1|                t2|sum1|sum2|
+    # +--------------------+------------------+----+----+
+    # |[0.0, 1.0, 2.0, 3.0]|   [0.0, 1.0, 2.0]| 6.0| 3.0|
+    # |[4.0, 5.0, 6.0, 7.0]|   [4.0, 5.0, 6.0]|22.0|15.0|
+    # |[8.0, 9.0, 10.0, ...|  [8.0, 9.0, 10.0]|38.0|27.0|
+    # |[12.0, 13.0, 14.0...|[12.0, 13.0, 14.0]|54.0|39.0|
+    # |[16.0, 17.0, 18.0...|[16.0, 17.0, 18.0]|70.0|51.0|
+    # +--------------------+------------------+----+----+
+    ```
+
+    .. versionadded:: 3.4.0
+
+    Parameters
+    ----------
+    predict_batch_fn : Callable[[],
+        Callable[..., np.ndarray | Mapping[str, np.ndarray] | 
List[Mapping[str, np.dtype]] ]
+        Function which is responsible for loading a model and returning a 
`predict` function which
+        takes one or more numpy arrays as input and returns one of the 
following:

Review Comment:
   I rethink on this issue,
   and I still prefers that `predict_batch_fn` should return a function with 
Numpy array / dict type. 
   because
   * in most ML model cases, the model.predict returns a numpy array or a dict 
of numpy array, so the conversion to pandas dataframe should be spark side code 
work. We should make `batch_infer_udf` to be easier to user.
   * The input arguments of the function returned by predict_batch_fn are also 
numpy arrays. So for input / output consistency, we should make output type be 
numpy array
   



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