[SPARK-7879] [MLLIB] KMeans API for spark.ml Pipelines

I Implemented the KMeans API for spark.ml Pipelines. But it doesn't include clustering abstractions for spark.ml (SPARK-7610). It would fit for another issues. And I'll try it later, since we are trying to add the hierarchical clustering algorithms in another issue. Thanks.

[SPARK-7879] KMeans API for spark.ml Pipelines - ASF JIRA https://issues.apache.org/jira/browse/SPARK-7879

Author: Yu ISHIKAWA <yuu.ishikawa@gmail.com>

Closes apache#6756 from yu-iskw/SPARK-7879 and squashes the following commits:

be752de [Yu ISHIKAWA] Add assertions
a14939b [Yu ISHIKAWA] Fix the dashed line's length in pyspark.ml.rst
4c61693 [Yu ISHIKAWA] Remove the test about whether "features" and "prediction" columns exist or not in Python
fb2417c [Yu ISHIKAWA] Use getInt, instead of get
f397be4 [Yu ISHIKAWA] Switch the comparisons.
ca78b7d [Yu ISHIKAWA] Add the Scala docs about the constraints of each parameter.
effc650 [Yu ISHIKAWA] Using expertSetParam and expertGetParam
c8dc6e6 [Yu ISHIKAWA] Remove an unnecessary test
19a9d63 [Yu ISHIKAWA] Include spark.ml.clustering to python tests
1abb19c [Yu ISHIKAWA] Add the statements about spark.ml.clustering into pyspark.ml.rst
f8338bc [Yu ISHIKAWA] Add the placeholders in Python
4a03003 [Yu ISHIKAWA] Test for contains in Python
6566c8b [Yu ISHIKAWA] Use `get`, instead of `apply`
288e8d5 [Yu ISHIKAWA] Using `contains` to check the column names
5a7d574 [Yu ISHIKAWA] Renamce `validateInitializationMode` to `validateInitMode` and remove throwing exception
97cfae3 [Yu ISHIKAWA] Fix the type of return value of `KMeans.copy`
e933723 [Yu ISHIKAWA] Remove the default value of seed from the Model class
978ee2c [Yu ISHIKAWA] Modify the docs of KMeans, according to mllib's KMeans
2ec80bc [Yu ISHIKAWA] Fit on 1 line
e186be1 [Yu ISHIKAWA] Make a few variables, setters and getters be expert ones
b2c205c [Yu ISHIKAWA] Rename the method `getInitializationSteps` to `getInitSteps` and `setInitializationSteps` to `setInitSteps` in Scala and Python
f43f5b4 [Yu ISHIKAWA] Rename the method `getInitializationMode` to `getInitMode` and `setInitializationMode` to `setInitMode` in Scala and Python
3cb5ba4 [Yu ISHIKAWA] Modify the description about epsilon and the validation
4fa409b [Yu ISHIKAWA] Add a comment about the default value of epsilon
2f392e1 [Yu ISHIKAWA] Make some variables `final` and Use `IntParam` and `DoubleParam`
19326f8 [Yu ISHIKAWA] Use `udf`, instead of callUDF
4d2ad1e [Yu ISHIKAWA] Modify the indentations
0ae422f [Yu ISHIKAWA] Add a test for `setParams`
4ff7913 [Yu ISHIKAWA] Add "ml.clustering" to `javacOptions` in SparkBuild.scala
11ffdf1 [Yu ISHIKAWA] Use `===` and the variable
220a176 [Yu ISHIKAWA] Set a random seed in the unit testing
92c3efc [Yu ISHIKAWA] Make the points for a test be fewer
c758692 [Yu ISHIKAWA] Modify the parameters of KMeans in Python
6aca147 [Yu ISHIKAWA] Add some unit testings to validate the setter methods
687cacc [Yu ISHIKAWA] Alias mllib.KMeans as MLlibKMeans in KMeansSuite.scala
a4dfbef [Yu ISHIKAWA] Modify the last brace and indentations
5bedc51 [Yu ISHIKAWA] Remve an extra new line
444c289 [Yu ISHIKAWA] Add the validation for `runs`
e41989c [Yu ISHIKAWA] Modify how to validate `initStep`
7ea133a [Yu ISHIKAWA] Change how to validate `initMode`
7991e15 [Yu ISHIKAWA] Add a validation for `k`
c2df35d [Yu ISHIKAWA] Make `predict` private
93aa2ff [Yu ISHIKAWA] Use `withColumn` in `transform`
d3a79f7 [Yu ISHIKAWA] Remove the inhefited docs
e9532e1 [Yu ISHIKAWA] make `parentModel` of KMeansModel private
8559772 [Yu ISHIKAWA] Remove the `paramMap` parameter of KMeans
6684850 [Yu ISHIKAWA] Rename `initializationSteps` to `initSteps`
99b1b96 [Yu ISHIKAWA] Rename `initializationMode` to `initMode`
79ea82b [Yu ISHIKAWA] Modify the parameters of KMeans docs
6569bcd [Yu ISHIKAWA] Change how to set the default values with `setDefault`
20a795a [Yu ISHIKAWA] Change how to set the default values with `setDefault`
11c2a12 [Yu ISHIKAWA] Limit the imports
badb481 [Yu ISHIKAWA] Alias spark.mllib.{KMeans, KMeansModel}
f80319a [Yu ISHIKAWA] Rebase mater branch and add copy methods
85d92b1 [Yu ISHIKAWA] Add `KMeans.setPredictionCol`
aa9469d [Yu ISHIKAWA] Fix a python test suite error caused by python 3.x
c2d6bcb [Yu ISHIKAWA] ADD Java test suites of the KMeans API for spark.ml Pipeline
598ed2e [Yu ISHIKAWA] Implement the KMeans API for spark.ml Pipelines in Python
63ad785 [Yu ISHIKAWA] Implement the KMeans API for spark.ml Pipelines in Scala

dev/sparktestsupport/modules.py

@@ -338,6 +338,7 @@ def contains_file(self, filename):
     python_test_goals=[
         "pyspark.ml.feature",
         "pyspark.ml.classification",
+        "pyspark.ml.clustering",
         "pyspark.ml.recommendation",
         "pyspark.ml.regression",
         "pyspark.ml.tuning",

mllib/src/main/scala/org/apache/spark/ml/clustering/KMeans.scala

@@ -0,0 +1,205 @@
+/*
+ * Licensed to the Apache Software Foundation (ASF) under one or more
+ * contributor license agreements.  See the NOTICE file distributed with
+ * this work for additional information regarding copyright ownership.
+ * The ASF licenses this file to You under the Apache License, Version 2.0
+ * (the "License"); you may not use this file except in compliance with
+ * the License.  You may obtain a copy of the License at
+ *
+ *    http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ */
+
+package org.apache.spark.ml.clustering
+
+import org.apache.spark.annotation.Experimental
+import org.apache.spark.ml.param.{Param, Params, IntParam, DoubleParam, ParamMap}
+import org.apache.spark.ml.param.shared.{HasFeaturesCol, HasMaxIter, HasPredictionCol, HasSeed}
+import org.apache.spark.ml.util.{Identifiable, SchemaUtils}
+import org.apache.spark.ml.{Estimator, Model}
+import org.apache.spark.mllib.clustering.{KMeans => MLlibKMeans, KMeansModel => MLlibKMeansModel}
+import org.apache.spark.mllib.linalg.{Vector, VectorUDT}
+import org.apache.spark.sql.functions.{col, udf}
+import org.apache.spark.sql.types.{IntegerType, StructType}
+import org.apache.spark.sql.{DataFrame, Row}
+import org.apache.spark.util.Utils
+
+
+/**
+ * Common params for KMeans and KMeansModel
+ */
+private[clustering] trait KMeansParams
+    extends Params with HasMaxIter with HasFeaturesCol with HasSeed with HasPredictionCol {
+
+  /**
+   * Set the number of clusters to create (k). Must be > 1. Default: 2.
+   * @group param
+   */
+  final val k = new IntParam(this, "k", "number of clusters to create", (x: Int) => x > 1)
+
+  /** @group getParam */
+  def getK: Int = $(k)
+
+  /**
+   * Param the number of runs of the algorithm to execute in parallel. We initialize the algorithm
+   * this many times with random starting conditions (configured by the initialization mode), then
+   * return the best clustering found over any run. Must be >= 1. Default: 1.
+   * @group param
+   */
+  final val runs = new IntParam(this, "runs",
+    "number of runs of the algorithm to execute in parallel", (value: Int) => value >= 1)
+
+  /** @group getParam */
+  def getRuns: Int = $(runs)
+
+  /**
+   * Param the distance threshold within which we've consider centers to have converged.
+   * If all centers move less than this Euclidean distance, we stop iterating one run.
+   * Must be >= 0.0. Default: 1e-4
+   * @group param
+   */
+  final val epsilon = new DoubleParam(this, "epsilon",
+    "distance threshold within which we've consider centers to have converge",
+    (value: Double) => value >= 0.0)
+
+  /** @group getParam */
+  def getEpsilon: Double = $(epsilon)
+
+  /**
+   * Param for the initialization algorithm. This can be either "random" to choose random points as
+   * initial cluster centers, or "k-means||" to use a parallel variant of k-means++
+   * (Bahmani et al., Scalable K-Means++, VLDB 2012). Default: k-means||.
+   * @group expertParam
+   */
+  final val initMode = new Param[String](this, "initMode", "initialization algorithm",
+    (value: String) => MLlibKMeans.validateInitMode(value))
+
+  /** @group expertGetParam */
+  def getInitMode: String = $(initMode)
+
+  /**
+   * Param for the number of steps for the k-means|| initialization mode. This is an advanced
+   * setting -- the default of 5 is almost always enough. Must be > 0. Default: 5.
+   * @group expertParam
+   */
+  final val initSteps = new IntParam(this, "initSteps", "number of steps for k-means||",
+    (value: Int) => value > 0)
+
+  /** @group expertGetParam */
+  def getInitSteps: Int = $(initSteps)
+
+  /**
+   * Validates and transforms the input schema.
+   * @param schema input schema
+   * @return output schema
+   */
+  protected def validateAndTransformSchema(schema: StructType): StructType = {
+    SchemaUtils.checkColumnType(schema, $(featuresCol), new VectorUDT)
+    SchemaUtils.appendColumn(schema, $(predictionCol), IntegerType)
+  }
+}
+
+/**
+ * :: Experimental ::
+ * Model fitted by KMeans.
+ *
+ * @param parentModel a model trained by spark.mllib.clustering.KMeans.
+ */
+@Experimental
+class KMeansModel private[ml] (
+    override val uid: String,
+    private val parentModel: MLlibKMeansModel) extends Model[KMeansModel] with KMeansParams {
+
+  override def copy(extra: ParamMap): KMeansModel = {
+    val copied = new KMeansModel(uid, parentModel)
+    copyValues(copied, extra)
+  }
+
+  override def transform(dataset: DataFrame): DataFrame = {
+    val predictUDF = udf((vector: Vector) => predict(vector))
+    dataset.withColumn($(predictionCol), predictUDF(col($(featuresCol))))
+  }
+
+  override def transformSchema(schema: StructType): StructType = {
+    validateAndTransformSchema(schema)
+  }
+
+  private[clustering] def predict(features: Vector): Int = parentModel.predict(features)
+
+  def clusterCenters: Array[Vector] = parentModel.clusterCenters
+}
+
+/**
+ * :: Experimental ::
+ * K-means clustering with support for multiple parallel runs and a k-means++ like initialization
+ * mode (the k-means|| algorithm by Bahmani et al). When multiple concurrent runs are requested,
+ * they are executed together with joint passes over the data for efficiency.
+ */
+@Experimental
+class KMeans(override val uid: String) extends Estimator[KMeansModel] with KMeansParams {
+
+  setDefault(
+    k -> 2,
+    maxIter -> 20,
+    runs -> 1,
+    initMode -> MLlibKMeans.K_MEANS_PARALLEL,
+    initSteps -> 5,
+    epsilon -> 1e-4)
+
+  override def copy(extra: ParamMap): KMeans = defaultCopy(extra)
+
+  def this() = this(Identifiable.randomUID("kmeans"))
+
+  /** @group setParam */
+  def setFeaturesCol(value: String): this.type = set(featuresCol, value)
+
+  /** @group setParam */
+  def setPredictionCol(value: String): this.type = set(predictionCol, value)
+
+  /** @group setParam */
+  def setK(value: Int): this.type = set(k, value)
+
+  /** @group expertSetParam */
+  def setInitMode(value: String): this.type = set(initMode, value)
+
+  /** @group expertSetParam */
+  def setInitSteps(value: Int): this.type = set(initSteps, value)
+
+  /** @group setParam */
+  def setMaxIter(value: Int): this.type = set(maxIter, value)
+
+  /** @group setParam */
+  def setRuns(value: Int): this.type = set(runs, value)
+
+  /** @group setParam */
+  def setEpsilon(value: Double): this.type = set(epsilon, value)
+
+  /** @group setParam */
+  def setSeed(value: Long): this.type = set(seed, value)
+
+  override def fit(dataset: DataFrame): KMeansModel = {
+    val rdd = dataset.select(col($(featuresCol))).map { case Row(point: Vector) => point }
+
+    val algo = new MLlibKMeans()
+      .setK($(k))
+      .setInitializationMode($(initMode))
+      .setInitializationSteps($(initSteps))
+      .setMaxIterations($(maxIter))
+      .setSeed($(seed))
+      .setEpsilon($(epsilon))
+      .setRuns($(runs))
+    val parentModel = algo.run(rdd)
+    val model = new KMeansModel(uid, parentModel)
+    copyValues(model)
+  }
+
+  override def transformSchema(schema: StructType): StructType = {
+    validateAndTransformSchema(schema)
+  }
+}
+

mllib/src/main/scala/org/apache/spark/mllib/clustering/KMeans.scala

@@ -85,9 +85,7 @@ class KMeans private (
    * (Bahmani et al., Scalable K-Means++, VLDB 2012). Default: k-means||.
    */
   def setInitializationMode(initializationMode: String): this.type = {
-    if (initializationMode != KMeans.RANDOM && initializationMode != KMeans.K_MEANS_PARALLEL) {
-      throw new IllegalArgumentException("Invalid initialization mode: " + initializationMode)
-    }
+    KMeans.validateInitMode(initializationMode)
     this.initializationMode = initializationMode
     this
   }
@@ -550,6 +548,14 @@ object KMeans {
       v2: VectorWithNorm): Double = {
     MLUtils.fastSquaredDistance(v1.vector, v1.norm, v2.vector, v2.norm)
   }
+
+  private[spark] def validateInitMode(initMode: String): Boolean = {
+    initMode match {
+      case KMeans.RANDOM => true
+      case KMeans.K_MEANS_PARALLEL => true
+      case _ => false
+    }
+  }
 }
 
 /**

mllib/src/test/java/org/apache/spark/ml/clustering/JavaKMeansSuite.java

@@ -0,0 +1,72 @@
+/*
+ * Licensed to the Apache Software Foundation (ASF) under one or more
+ * contributor license agreements.  See the NOTICE file distributed with
+ * this work for additional information regarding copyright ownership.
+ * The ASF licenses this file to You under the Apache License, Version 2.0
+ * (the "License"); you may not use this file except in compliance with
+ * the License.  You may obtain a copy of the License at
+ *
+ *    http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ */
+
+package org.apache.spark.ml.clustering;
+
+import java.io.Serializable;
+import java.util.Arrays;
+import java.util.List;
+
+import org.junit.After;
+import org.junit.Before;
+import org.junit.Test;
+import static org.junit.Assert.assertArrayEquals;
+import static org.junit.Assert.assertEquals;
+import static org.junit.Assert.assertTrue;
+
+import org.apache.spark.api.java.JavaSparkContext;
+import org.apache.spark.mllib.linalg.Vector;
+import org.apache.spark.sql.DataFrame;
+import org.apache.spark.sql.SQLContext;
+
+public class JavaKMeansSuite implements Serializable {
+
+  private transient int k = 5;
+  private transient JavaSparkContext sc;
+  private transient DataFrame dataset;
+  private transient SQLContext sql;
+
+  @Before
+  public void setUp() {
+    sc = new JavaSparkContext("local", "JavaKMeansSuite");
+    sql = new SQLContext(sc);
+
+    dataset = KMeansSuite.generateKMeansData(sql, 50, 3, k);
+  }
+
+  @After
+  public void tearDown() {
+    sc.stop();
+    sc = null;
+  }
+
+  @Test
+  public void fitAndTransform() {
+    KMeans kmeans = new KMeans().setK(k).setSeed(1);
+    KMeansModel model = kmeans.fit(dataset);
+
+    Vector[] centers = model.clusterCenters();
+    assertEquals(k, centers.length);
+
+    DataFrame transformed = model.transform(dataset);
+    List<String> columns = Arrays.asList(transformed.columns());
+    List<String> expectedColumns = Arrays.asList("features", "prediction");
+    for (String column: expectedColumns) {
+      assertTrue(columns.contains(column));
+    }
+  }
+}