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vastorbit.machine_learning.vast.cluster.KMeans

class vastorbit.machine_learning.vast.cluster.KMeans(name: str = None, overwrite_model: bool = False, **kwargs)

Creates an KMeans object using scikit-learn for training and the scalability of VAST DataBase for the inferences.

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.

  • **kwargs (scikit-learn model parameters.)

Variables:
  • created (Many attributes are)

  • phase. (during the fitting)

  • clusters_ (numpy.array) – Cluster centers.

  • p_ (int) – The p of the p-distances.

  • between_clusters_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_clusters_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.

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 vastorbit:

import vastorbit as vo

Hint

By assigning an alias to vastorbit, we mitigate the risk of code collisions with other libraries. This precaution is necessary because vastorbit 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 vastorbit are used as intended without interfering with functions from other libraries.

For this example, we will use the winequality dataset.

import vastorbit.datasets as vod

data = vod.load_winequality()
123
fixed_acidity
Decimal(6, 3)
123
volatile_acidity
Decimal(7, 4)
123
citric_acid
Decimal(6, 3)
123
residual_sugar
Decimal(7, 3)
123
chlorides
Double
123
free_sulfur_dioxide
Decimal(7, 2)
123
total_sulfur_dioxide
Decimal(7, 2)
123
density
Double
123
ph
Decimal(6, 3)
123
sulphates
Decimal(6, 3)
123
alcohol
Double
123
quality
Integer
123
good
Integer
Abc
color
Varchar(20)
16.30.670.4812.60.05257.0222.00.99793.170.529.360white
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138.10.290.497.10.04222.0124.00.99443.140.4110.860white
145.80.170.31.40.03755.0130.00.99093.290.3811.360white
155.90.4150.020.80.03822.063.00.99323.360.369.350white
166.60.230.261.30.04516.0128.00.99343.360.610.060white
178.60.550.3515.550.05735.5366.51.00013.040.6311.030white
186.90.350.741.00.04418.0132.00.9923.130.5510.250white
197.60.140.741.60.0427.0103.00.99163.070.410.871white
209.20.280.4911.80.04229.0137.00.9983.10.3410.140white
216.20.180.494.50.04717.090.00.99193.270.3711.660white
225.30.1650.241.10.05125.0105.00.99253.320.479.150white
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248.10.290.497.10.04222.0124.00.99443.140.4110.860white
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267.20.220.491.00.04534.0140.00.993.050.3412.760white
277.40.250.491.10.04235.0156.00.99173.130.5511.350white
288.20.180.491.10.03328.081.00.99233.00.6810.471white
296.10.220.491.50.05118.087.00.99283.30.469.650white
307.00.390.241.00.0488.0119.00.99233.00.3110.140white
316.10.220.491.50.05118.087.00.99283.30.469.650white
326.50.360.492.90.0316.094.00.99023.10.4912.171white
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347.40.250.491.10.04235.0156.00.99173.130.5511.350white
356.90.230.2414.20.05319.094.00.99823.170.59.650white
368.50.560.7417.850.05151.0243.01.00052.990.79.250white
378.20.180.491.10.03328.081.00.99233.00.6810.471white
386.30.230.497.10.0567.0210.00.99513.230.349.550white
396.10.250.497.60.05267.0226.00.99563.160.478.950white
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466.30.270.491.20.06335.092.00.99113.380.4212.260white
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527.80.430.4913.00.03337.0158.00.99553.140.3511.360white
537.60.520.4914.00.03437.0156.00.99583.140.3811.871white
548.30.210.4919.80.05450.0231.01.00122.990.549.250white
556.90.340.7411.20.06944.0150.00.99683.00.819.250white
566.30.270.491.20.06335.092.00.99113.380.4212.260white
578.30.20.744.450.04433.0130.00.99243.250.4212.260white
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807.20.080.491.30.0518.0148.00.99453.460.4410.260white
816.60.250.241.70.04826.0124.00.99423.370.610.160white
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957.60.290.499.60.0345.0197.00.99383.130.3812.371white
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987.70.270.491.80.04123.086.00.99143.160.4212.560white
996.70.510.242.10.04314.0155.00.99043.220.613.060white
1007.40.190.499.30.0326.0132.00.9942.990.3211.071white
Rows: 1-100 | Columns: 14

Note

vastorbit 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 vastorbit environment.

Model Initialization

First we import the KMeans model:

from vastorbit.machine_learning.vast import KMeans

Then we can create the model:

model = KMeans(
    n_clusters = 8,
    init = "k-means++",
    max_iter = 300,
    tol = 1e-4,
)

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"])

Important

To train a model, you can directly use the VastFrame 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 vastorbit, 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_

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_clusters_ss_
model.total_within_clusters_ss_
model.total_ss_

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_

Prediction

Predicting or ranking the dataset is straight-forward:

model.predict(data, ["density", "sulphates"], name = "Cluster IDs")
123
fixed_acidity
Decimal(6, 3)
123
volatile_acidity
Decimal(7, 4)
123
citric_acid
Decimal(6, 3)
123
residual_sugar
Decimal(7, 3)
123
chlorides
Double
123
free_sulfur_dioxide
Decimal(7, 2)
123
total_sulfur_dioxide
Decimal(7, 2)
123
density
Double
123
ph
Decimal(6, 3)
123
sulphates
Decimal(6, 3)
123
alcohol
Double
123
quality
Integer
123
good
Integer
Abc
color
Varchar(20)
123
Cluster IDs
Integer
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145.80.170.31.40.03755.0130.00.99093.290.3811.360white0
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178.60.550.3515.550.05735.5366.51.00013.040.6311.030white1
186.90.350.741.00.04418.0132.00.9923.130.5510.250white6
197.60.140.741.60.0427.0103.00.99163.070.410.871white0
209.20.280.4911.80.04229.0137.00.9983.10.3410.140white0
216.20.180.494.50.04717.090.00.99193.270.3711.660white0
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248.10.290.497.10.04222.0124.00.99443.140.4110.860white0
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356.90.230.2414.20.05319.094.00.99823.170.59.650white2
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608.50.170.743.60.0529.0128.00.99283.280.412.460white0
616.40.1450.495.40.04854.0164.00.99463.560.4410.860white2
627.40.160.491.20.05518.0150.00.99173.230.4711.260white2
638.30.190.491.20.05111.0137.00.99183.060.4611.060white2
648.00.440.499.10.03146.0151.00.99263.160.2712.781white0
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666.90.190.496.60.03649.0172.00.99323.20.2711.560white0
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917.50.20.491.30.0318.097.00.99183.060.6211.150white1
928.00.30.499.40.04647.0188.00.99643.140.4810.050white2
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957.60.290.499.60.0345.0197.00.99383.130.3812.371white0
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976.80.270.491.20.04435.0126.00.993.130.4812.171white2
987.70.270.491.80.04123.086.00.99143.160.4212.560white0
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1007.40.190.499.30.0326.0132.00.9942.990.3211.071white0
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 Contour Plot for more examples.

Parameter Modification

In order to see the parameters:

model.get_params()

And to manually change some of the parameters:

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

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()

Note

This SQL query can be directly used in any database.

Deploy SQL

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

model.deploySQL()

To Python

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

X = [[0.9, 0.5]]
model.to_python()(X)

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, **kwargs) None

Methods

__init__([name, overwrite_model])

contour([nbins, chart])

Draws the model's contour plot.

deploySQL([X])

Returns the SQL code needed to deploy the model.

drop()

Drops the model from the VAST 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) to draw a specific graphic.

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.

set_params([parameters])

Sets the parameters of the model.

summarize()

Summarizes the model.

to_binary(path)

Exports the model to the VAST Binary format.

to_memmodel()

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

to_python([return_proba, ...])

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

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

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

Attributes