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verticapy.machine_learning.vertica.cluster.KMeans

class verticapy.machine_learning.vertica.cluster.KMeans(name: str = None, overwrite_model: bool = False, n_cluster: int = 8, init: Literal['kmeanspp', 'random'] | list = 'kmeanspp', max_iter: int = 300, tol: float = 0.0001)

Creates a KMeans object using the Vertica k-means algorithm. k-means clustering is a method of vector quantization, originally from signal processing, that aims to partition n observations into k clusters in which each observation belongs to the cluster with the nearest mean (cluster centers or cluster centroid), serving as a prototype of the cluster. This results in a partitioning of the data space into Voronoi cells.

Parameters

name: str, optional

Name of the model. The model is stored in the database.

overwrite_model: bool, optional

If set to True, training a model with the same name as an existing model overwrites the existing model.

n_cluster: int, optional

Number of clusters

init: str | list, optional

The method used to find the initial cluster centers.

  • kmeanspp:

    Uses the KMeans++ method to initialize the centers.

  • random:

    The centers are initialized randomly.

You can also provide a list with the initial cluster centers.

max_iter: int, optional

The maximum number of iterations the algorithm performs.

tol: float, optional

Determines whether the algorithm has converged. The algorithm is considered converged after no center has moved more than a distance of ‘tol’ from the previous iteration.

Attributes

Many attributes are created during the fitting phase.

clusters_: numpy.array

Cluster centers.

p_: int

The p of the p-distances.

between_cluster_ss_: float

The between-cluster sum of squares (BSS) measures the dispersion between different clusters and is an important metric in evaluating the effectiveness of a clustering algorithm.

total_ss_: float

The total sum of squares (TSS) is used to assess the total dispersion of data points from the overall mean, providing a basis for evaluating the clustering algorithm’s performance.

total_within_cluster_ss_: float

The within-cluster sum of squares (WSS) gauges the dispersion of data points within individual clusters in a clustering analysis. It reflects the compactness of clusters and is instrumental in evaluating the homogeneity of the clusters produced by the algorithm.

elbow_score_: float

The elbow score. It helps identify the optimal number of clusters by observing the point where the rate of WSS reduction slows down, resembling the bend or ‘elbow’ in the plot, indicative of an optimal clustering solution. The bigger the better.

converged_: boolean

True if the model converged.

Note

All attributes can be accessed using the get_attributes() method.

Note

Several other attributes can be accessed by using the get_vertica_attributes() method.

Examples

The following examples provide a basic understanding of usage. For more detailed examples, please refer to the Machine Learning or the Examples section on the website.

Load data for machine learning

We import verticapy:

import verticapy as vp

Hint

By assigning an alias to verticapy, we mitigate the risk of code collisions with other libraries. This precaution is necessary because verticapy uses commonly known function names like “average” and “median”, which can potentially lead to naming conflicts. The use of an alias ensures that the functions from verticapy are used as intended without interfering with functions from other libraries.

For this example, we will use the winequality dataset.

import verticapy.datasets as vpd

data = vpd.load_winequality()
123
fixed_acidity
Numeric(8)
123
volatile_acidity
Numeric(9)
123
citric_acid
Numeric(8)
123
residual_sugar
Numeric(9)
123
chlorides
Float(22)
123
free_sulfur_dioxide
Numeric(9)
123
total_sulfur_dioxide
Numeric(9)
123
density
Float(22)
123
pH
Numeric(8)
123
sulphates
Numeric(8)
123
alcohol
Float(22)
123
quality
Integer
123
good
Integer
Abc
color
Varchar(20)
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Rows: 1-100 | Columns: 14

Note

VerticaPy offers a wide range of sample datasets that are ideal for training and testing purposes. You can explore the full list of available datasets in the Datasets, which provides detailed information on each dataset and how to use them effectively. These datasets are invaluable resources for honing your data analysis and machine learning skills within the VerticaPy environment.

Model Initialization

First we import the KMeans model:

from verticapy.machine_learning.vertica import KMeans

Then we can create the model:

model = KMeans(
    n_cluster = 8,
    init = "kmeanspp",
    max_iter = 300,
    tol = 1e-4,
)

Hint

In verticapy 1.0.x and higher, you do not need to specify the model name, as the name is automatically assigned. If you need to re-use the model, you can fetch the model name from the model’s attributes.

Important

The model name is crucial for the model management system and versioning. It’s highly recommended to provide a name if you plan to reuse the model later.

Model Training

We can now fit the model:

model.fit(data, X = ["density", "sulphates"])


=======
centers
=======
density |sulphates
--------+---------
 0.99492| 0.55257 
 0.99724| 1.78250 
 0.99582| 0.90272 
 0.99553| 0.64901 
 0.99333| 0.36719 
 0.99725| 1.14813 
 0.99586| 0.76088 
 0.99461| 0.46210 


=======
metrics
=======
Evaluation metrics:
     Total Sum of Squares: 143.90056
     Within-Cluster Sum of Squares: 
         Cluster 0: 1.3989864
         Cluster 1: 0.28515756
         Cluster 2: 0.4144133
         Cluster 3: 0.66001233
         Cluster 4: 1.5781788
         Cluster 5: 0.45247629
         Cluster 6: 0.6174803
         Cluster 7: 1.2896687
     Total Within-Cluster Sum of Squares: 6.6963737
     Between-Cluster Sum of Squares: 137.20419
     Between-Cluster SS / Total SS: 95.35%
 Number of iterations performed: 20
 Converged: True
 Call:
kmeans('"public"."_verticapy_tmp_kmeans_v_mldb_96252e1a979611efa8720242ac120002_"', '"public"."_verticapy_tmp_view_v_mldb_965c8e5a979611efa8720242ac120002_"', '"density", "sulphates"', 8
USING PARAMETERS max_iterations=300, epsilon=0.0001, init_method='kmeanspp', distance_method='euclidean')

Important

To train a model, you can directly use the vDataFrame or the name of the relation stored in the database. The test set is optional and is only used to compute the test metrics. In verticapy, we don’t work using X matrices and y vectors. Instead, we work directly with lists of predictors and the response name.

Hint

For clustering and anomaly detection, the use of predictors is optional. In such cases, all available predictors are considered, which can include solely numerical variables or a combination of numerical and categorical variables, depending on the model’s capabilities.

Metrics

You can also find the cluster positions by:

model.clusters_
Out[4]: 
array([[0.99491953, 0.55256977],
       [0.9972375 , 1.7825    ],
       [0.99582391, 0.90272189],
       [0.99553286, 0.64900955],
       [0.99332557, 0.36718891],
       [0.99724813, 1.148125  ],
       [0.9958642 , 0.76088115],
       [0.99461301, 0.46209831]])

To evaluate the model, various attributes are computed, such as the between sum of squares, the total within clusters sum of squares, and the total sum of squares.

model.between_cluster_ss_
Out[5]: 137.20419

model.total_within_cluster_ss_
Out[6]: 6.6963737

model.total_ss_
Out[7]: 143.90056

Some other useful attributes can be used to evaluate the model, like the Elbow Score (the bigger it is, the better it is).

model.elbow_score_
Out[8]: 0.9534652957570144

Prediction

Predicting or ranking the dataset is straight-forward:

model.predict(data, ["density", "sulphates"], name = "Cluster IDs")
123
fixed_acidity
Numeric(8)
123
volatile_acidity
Numeric(9)
123
citric_acid
Numeric(8)
123
residual_sugar
Numeric(9)
123
chlorides
Float(22)
123
free_sulfur_dioxide
Numeric(9)
123
total_sulfur_dioxide
Numeric(9)
123
density
Float(22)
123
pH
Numeric(8)
123
sulphates
Numeric(8)
123
alcohol
Float(22)
123
quality
Integer
123
good
Integer
Abc
color
Varchar(20)
123
Cluster IDs
Integer
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835.60.50.092.30.04917.099.00.99373.630.6313.050red3
845.60.50.092.30.04917.099.00.99373.630.6313.050red3
855.60.6050.052.40.07319.025.00.992583.560.5512.950red0
865.60.6950.066.80.0429.084.00.994323.440.4410.250white7
875.70.1350.34.60.04219.0101.00.99463.310.429.360white7
885.70.140.35.40.04526.0105.00.994693.320.459.350white7
895.70.180.224.20.04225.0111.00.9943.350.399.450white4
905.70.220.2216.650.04439.0110.00.998553.240.489.060white7
915.70.220.2216.650.04439.0110.00.998553.240.489.060white7
925.70.220.2216.650.04439.0110.00.998553.240.489.060white7
935.70.220.2216.650.04439.0110.00.998553.240.489.060white7
945.70.220.281.30.02726.0101.00.989483.350.3812.571white4
955.70.2450.331.10.04928.0150.00.99273.130.429.350white7
965.70.250.211.50.04421.0108.00.991423.30.5911.060white0
975.70.2550.651.20.07917.0137.00.993073.20.429.450white7
985.70.2550.651.20.07917.0137.00.993073.20.429.450white7
995.70.280.33.90.02636.0105.00.989633.260.5812.7560white0
1005.70.310.297.30.0533.0143.00.993323.310.511.066666666666760white7
Rows: 1-100 | Columns: 15

As shown above, a new column has been created, containing the clusters.

Hint

The name of the new column is optional. If not provided, it is randomly assigned.

Plots - Cluster Plot

Plots highlighting the different clusters can be easily drawn using:

model.plot()

Plots - Voronoi

KMeans models can be visualized by drawing their voronoi plots. For more examples, check out Machine Learning - Voronoi Plots.

model.plot_voronoi()

Plots - Contour

In order to understand the parameter space, we can also look at the contour plots:

model.contour()

Note

Machine learning models with two predictors can usually benefit from their own contour plot. This visual representation aids in exploring predictions and gaining a deeper understanding of how these models perform in different scenarios. Please refer to chart_gallery.contour_plot for more examples.

Parameter Modification

In order to see the parameters:

model.get_params()
Out[9]: {'n_cluster': 8, 'init': 'kmeanspp', 'max_iter': 300, 'tol': 0.0001}

And to manually change some of the parameters:

model.set_params({'n_cluster': 5})

Model Register

In order to register the model for tracking and versioning:

model.register("model_v1")

Please refer to /notebooks/ml/model_tracking_versioning/index.ipynb for more details on model tracking and versioning.

Model Exporting

To Memmodel

model.to_memmodel()

Note

MemModel objects serve as in-memory representations of machine learning models. They can be used for both in-database and in-memory prediction tasks. These objects can be pickled in the same way that you would pickle a scikit-learn model.

The preceding methods for exporting the model use MemModel, and it is recommended to use MemModel directly.

To SQL

You can get the SQL query equivalent of the KMeans model by:

model.to_sql()
Out[11]: 'CASE WHEN "density" IS NULL OR "sulphates" IS NULL THEN NULL WHEN POWER(POWER("density" - 0.994613010042283, 2) + POWER("sulphates" - 0.462098308668076, 2), 1 / 2) <= POWER(POWER("density" - 0.994919526162791, 2) + POWER("sulphates" - 0.55256976744186, 2), 1 / 2) AND POWER(POWER("density" - 0.994613010042283, 2) + POWER("sulphates" - 0.462098308668076, 2), 1 / 2) <= POWER(POWER("density" - 0.9972375, 2) + POWER("sulphates" - 1.7825, 2), 1 / 2) AND POWER(POWER("density" - 0.994613010042283, 2) + POWER("sulphates" - 0.462098308668076, 2), 1 / 2) <= POWER(POWER("density" - 0.995823905325444, 2) + POWER("sulphates" - 0.902721893491124, 2), 1 / 2) AND POWER(POWER("density" - 0.994613010042283, 2) + POWER("sulphates" - 0.462098308668076, 2), 1 / 2) <= POWER(POWER("density" - 0.995532863961814, 2) + POWER("sulphates" - 0.649009546539379, 2), 1 / 2) AND POWER(POWER("density" - 0.994613010042283, 2) + POWER("sulphates" - 0.462098308668076, 2), 1 / 2) <= POWER(POWER("density" - 0.993325569715142, 2) + POWER("sulphates" - 0.367188905547226, 2), 1 / 2) AND POWER(POWER("density" - 0.994613010042283, 2) + POWER("sulphates" - 0.462098308668076, 2), 1 / 2) <= POWER(POWER("density" - 0.997248125, 2) + POWER("sulphates" - 1.148125, 2), 1 / 2) AND POWER(POWER("density" - 0.994613010042283, 2) + POWER("sulphates" - 0.462098308668076, 2), 1 / 2) <= POWER(POWER("density" - 0.995864200819672, 2) + POWER("sulphates" - 0.760881147540984, 2), 1 / 2) THEN 7 WHEN POWER(POWER("density" - 0.995864200819672, 2) + POWER("sulphates" - 0.760881147540984, 2), 1 / 2) <= POWER(POWER("density" - 0.994919526162791, 2) + POWER("sulphates" - 0.55256976744186, 2), 1 / 2) AND POWER(POWER("density" - 0.995864200819672, 2) + POWER("sulphates" - 0.760881147540984, 2), 1 / 2) <= POWER(POWER("density" - 0.9972375, 2) + POWER("sulphates" - 1.7825, 2), 1 / 2) AND POWER(POWER("density" - 0.995864200819672, 2) + POWER("sulphates" - 0.760881147540984, 2), 1 / 2) <= POWER(POWER("density" - 0.995823905325444, 2) + POWER("sulphates" - 0.902721893491124, 2), 1 / 2) AND POWER(POWER("density" - 0.995864200819672, 2) + POWER("sulphates" - 0.760881147540984, 2), 1 / 2) <= POWER(POWER("density" - 0.995532863961814, 2) + POWER("sulphates" - 0.649009546539379, 2), 1 / 2) AND POWER(POWER("density" - 0.995864200819672, 2) + POWER("sulphates" - 0.760881147540984, 2), 1 / 2) <= POWER(POWER("density" - 0.993325569715142, 2) + POWER("sulphates" - 0.367188905547226, 2), 1 / 2) AND POWER(POWER("density" - 0.995864200819672, 2) + POWER("sulphates" - 0.760881147540984, 2), 1 / 2) <= POWER(POWER("density" - 0.997248125, 2) + POWER("sulphates" - 1.148125, 2), 1 / 2) THEN 6 WHEN POWER(POWER("density" - 0.997248125, 2) + POWER("sulphates" - 1.148125, 2), 1 / 2) <= POWER(POWER("density" - 0.994919526162791, 2) + POWER("sulphates" - 0.55256976744186, 2), 1 / 2) AND POWER(POWER("density" - 0.997248125, 2) + POWER("sulphates" - 1.148125, 2), 1 / 2) <= POWER(POWER("density" - 0.9972375, 2) + POWER("sulphates" - 1.7825, 2), 1 / 2) AND POWER(POWER("density" - 0.997248125, 2) + POWER("sulphates" - 1.148125, 2), 1 / 2) <= POWER(POWER("density" - 0.995823905325444, 2) + POWER("sulphates" - 0.902721893491124, 2), 1 / 2) AND POWER(POWER("density" - 0.997248125, 2) + POWER("sulphates" - 1.148125, 2), 1 / 2) <= POWER(POWER("density" - 0.995532863961814, 2) + POWER("sulphates" - 0.649009546539379, 2), 1 / 2) AND POWER(POWER("density" - 0.997248125, 2) + POWER("sulphates" - 1.148125, 2), 1 / 2) <= POWER(POWER("density" - 0.993325569715142, 2) + POWER("sulphates" - 0.367188905547226, 2), 1 / 2) THEN 5 WHEN POWER(POWER("density" - 0.993325569715142, 2) + POWER("sulphates" - 0.367188905547226, 2), 1 / 2) <= POWER(POWER("density" - 0.994919526162791, 2) + POWER("sulphates" - 0.55256976744186, 2), 1 / 2) AND POWER(POWER("density" - 0.993325569715142, 2) + POWER("sulphates" - 0.367188905547226, 2), 1 / 2) <= POWER(POWER("density" - 0.9972375, 2) + POWER("sulphates" - 1.7825, 2), 1 / 2) AND POWER(POWER("density" - 0.993325569715142, 2) + POWER("sulphates" - 0.367188905547226, 2), 1 / 2) <= POWER(POWER("density" - 0.995823905325444, 2) + POWER("sulphates" - 0.902721893491124, 2), 1 / 2) AND POWER(POWER("density" - 0.993325569715142, 2) + POWER("sulphates" - 0.367188905547226, 2), 1 / 2) <= POWER(POWER("density" - 0.995532863961814, 2) + POWER("sulphates" - 0.649009546539379, 2), 1 / 2) THEN 4 WHEN POWER(POWER("density" - 0.995532863961814, 2) + POWER("sulphates" - 0.649009546539379, 2), 1 / 2) <= POWER(POWER("density" - 0.994919526162791, 2) + POWER("sulphates" - 0.55256976744186, 2), 1 / 2) AND POWER(POWER("density" - 0.995532863961814, 2) + POWER("sulphates" - 0.649009546539379, 2), 1 / 2) <= POWER(POWER("density" - 0.9972375, 2) + POWER("sulphates" - 1.7825, 2), 1 / 2) AND POWER(POWER("density" - 0.995532863961814, 2) + POWER("sulphates" - 0.649009546539379, 2), 1 / 2) <= POWER(POWER("density" - 0.995823905325444, 2) + POWER("sulphates" - 0.902721893491124, 2), 1 / 2) THEN 3 WHEN POWER(POWER("density" - 0.995823905325444, 2) + POWER("sulphates" - 0.902721893491124, 2), 1 / 2) <= POWER(POWER("density" - 0.994919526162791, 2) + POWER("sulphates" - 0.55256976744186, 2), 1 / 2) AND POWER(POWER("density" - 0.995823905325444, 2) + POWER("sulphates" - 0.902721893491124, 2), 1 / 2) <= POWER(POWER("density" - 0.9972375, 2) + POWER("sulphates" - 1.7825, 2), 1 / 2) THEN 2 WHEN POWER(POWER("density" - 0.9972375, 2) + POWER("sulphates" - 1.7825, 2), 1 / 2) <= POWER(POWER("density" - 0.994919526162791, 2) + POWER("sulphates" - 0.55256976744186, 2), 1 / 2) THEN 1 ELSE 0 END'

Note

This SQL query can be directly used in any database.

Deploy SQL

To get the SQL query which uses Vertica functions use below:

model.deploySQL()
Out[12]: 'APPLY_KMEANS("density", "sulphates" USING PARAMETERS model_name = \'"public"."_verticapy_tmp_kmeans_v_mldb_96252e1a979611efa8720242ac120002_"\', match_by_pos = \'true\')'

To Python

To obtain the prediction function in Python syntax, use the following code:

X = [[0.9, 0.5]]

model.to_python()(X)
Out[14]: array([7], dtype=object)

Hint

The to_python() method is used to retrieve the anomaly score. For specific details on how to use this method for different model types, refer to the relevant documentation for each model.

__init__(name: str = None, overwrite_model: bool = False, n_cluster: int = 8, init: Literal['kmeanspp', 'random'] | list = 'kmeanspp', max_iter: int = 300, tol: float = 0.0001) → None

Must be overridden in the child class

Methods

__init__([name, overwrite_model, n_cluster, ...])

Must be overridden in the child class

contour([nbins, chart])

Draws the model's contour plot.

deploySQL([X])

Returns the SQL code needed to deploy the model.

does_model_exists(name[, raise_error, ...])

Checks whether the model is stored in the Vertica database.

drop()

Drops the model from the Vertica database.

export_models(name, path[, kind])

Exports machine learning models.

fit(input_relation[, X, return_report])

Trains the model.

get_attributes([attr_name])

Returns the model attributes.

get_match_index(x, col_list[, str_check])

Returns the matching index.

get_params()

Returns the parameters of the model.

get_plotting_lib([class_name, chart, ...])

Returns the first available library (Plotly, Matplotlib, or Highcharts) to draw a specific graphic.

get_vertica_attributes([attr_name])

Returns the model Vertica attributes.

import_models(path[, schema, kind])

Imports machine learning models.

plot([max_nb_points, chart])

Draws the model.

plot_voronoi([max_nb_points, plot_crosses, ...])

Draws the Voronoi Graph of the model.

predict(vdf[, X, name, inplace])

Makes predictions using the input relation.

register(registered_name[, raise_error])

Registers the model and adds it to in-DB Model versioning environment with a status of 'under_review'.

set_params([parameters])

Sets the parameters of the model.

summarize()

Summarizes the model.

to_binary(path)

Exports the model to the Vertica Binary format.

to_memmodel()

Converts the model to an InMemory object that can be used for different types of predictions.

to_pmml(path)

Exports the model to PMML.

to_python([return_proba, ...])

Returns the Python function needed for in-memory scoring without using built-in Vertica functions.

to_sql([X, return_proba, ...])

Returns the SQL code needed to deploy the model without using built-in Vertica functions.

to_tf(path)

Exports the model to the Frozen Graph format (TensorFlow).

Attributes