Type: | Package |
Title: | Feature Attributions for ClusTering |
Version: | 0.1.1 |
Description: | We present 'FACT' (Feature Attributions for ClusTering), a framework for unsupervised interpretation methods that can be used with an arbitrary clustering algorithm. The package is capable of re-assigning instances to clusters (algorithm agnostic), preserves the integrity of the data and does not introduce additional models. 'FACT' is inspired by the principles of model-agnostic interpretation in supervised learning. Therefore, some of the methods presented are based on 'iml', a R Package for Interpretable Machine Learning by Christoph Molnar, Giuseppe Casalicchio, and Bernd Bischl (2018) <doi:10.21105/joss.00786>. |
License: | LGPL-3 |
BugReports: | https://github.com/henrifnk/FACT/issues |
Imports: | checkmate, data.table, ggplot2, gridExtra, R6, iml |
Encoding: | UTF-8 |
Suggests: | testthat (≥ 3.0.0), caret, covr, knitr, mlr3, mlr3cluster, rmarkdown, FuzzyDBScan, factoextra, patchwork, spelling |
Config/testthat/edition: | 3 |
RoxygenNote: | 7.2.3 |
Language: | en-US |
NeedsCompilation: | no |
Packaged: | 2024-03-25 10:28:15 UTC; henri_funk |
Author: | Henri Funk [aut, cre], Christian Scholbeck [aut, ctb], Giuseppe Casalicchio [aut, ctb] |
Maintainer: | Henri Funk <Henri.Funk@stat.uni-muenchen.de> |
Repository: | CRAN |
Date/Publication: | 2024-03-25 10:50:02 UTC |
Clustering Predictor Object
Description
A ClustPredictor
object holds any unsupervised clustering algorithm
and the data to be used for analyzing the model. The interpretation methods
in the FACT
package need the clustering algorithm to be wrapped in a
ClustPredictor
object.
Details
A Cluster Predictor object is a container for the unsupervised prediction model and the data. This ensures that the clustering algorithm can be analyzed in a robust way. The Model inherits from iml::Predictor Object and adjusts this Object to contain unsupervised Methods.
Super class
iml::Predictor
-> ClustPredictor
Public fields
type
character(1)
Either partition for cluster assignments or prob for soft labels. Can be decided by chosen by the user when initializing the object. IfNULL
, it checks the the dimensions ofy
.cnames
character
IsNULL
, if hard labeling is used. If soft labels are used, column names ofy
are being transferred.
Methods
Public methods
Inherited methods
Method new()
Create a ClustPredictor object
Usage
ClustPredictor$new( model = NULL, data = NULL, predict.function = NULL, y = NULL, batch.size = 1000, type = NULL )
Arguments
model
any
The trained clustering algorithm. Recommended are models frommlr3cluster
. For other clustering algorithms predict functions need to be specified.data
data.frame
The data to be used for analyzing the prediction model. Allowed column classes are: numeric, factor, integer, ordered and characterpredict.function
function
The function to assign newdata. Only needed ifmodel
is not a model frommlr3cluster
. The first argument ofpredict.fun
has to be the model, the second thenewdata
:function(model, newdata)
y
any
A integer vector representing the assigned clusters or a data.frame representing the soft labels per cluster assigned in columns.batch.size
numeric(1)
The maximum number of rows to be input the model for prediction at once. Currently only respected for SMART.type
character(1)
)
This argument is passed to the prediction function of the model. For soft label predictions, usetype="prob"
. For hard label predictions, usetype="partition"
. Consult the documentation or definition of the clustering algorithm you use to find which type options you have.
Method clone()
The objects of this class are cloneable with this method.
Usage
ClustPredictor$clone(deep = FALSE)
Arguments
deep
Whether to make a deep clone.
Examples
require(factoextra)
require(FuzzyDBScan)
multishapes <- as.data.frame(multishapes[, 1:2])
eps = c(0, 0.2)
pts = c(3, 15)
res <- FuzzyDBScan$new(multishapes, eps, pts)
res$plot("x", "y")
# create hard label predictor
predict_part = function(model, newdata) model$predict(new_data = newdata, cmatrix = FALSE)$cluster
ClustPredictor$new(res, as.data.frame(multishapes), y = res$clusters,
predict.function = predict_part, type = "partition")
# create soft label predictor
predict_prob = function(model, newdata) model$predict(new_data = newdata)
ClustPredictor$new(res, as.data.frame(multishapes), y = res$results,
predict.function = predict_prob, type = "prob")
Idea - Isolated Effect on Assignment
Description
IDEA
with a soft label predictor (sIDEA)
tacks changes the soft label of being assigned to each existing cluster
throughout a (multidimensional) feature space
IDEA
with a hard label predictor (hIDEA)
tacks changes the soft label of being assigned to each existing cluster
throughout a (multidimensional) feature space
Details
IDEA
for soft labeling algorithms (sIDEA) indicates the soft label that an
observation \textbf{x}
with replaced values \tilde{\textbf{x}}_S
is assigned to
the k-th cluster. IDEA
for hard labeling algorithms (hIDEA) indicates
the cluster assignment of an observation \textbf{x}
with replaced values
\tilde{\textbf{x}}_S
.
The global IDEA
is denoted by the corresponding data set X:
\text{sIDEA}_X(\tilde{\textbf{x}}_S) = \left(\frac{1}{n} \sum_{i = 1}^n
\text{sIDEA}^{(1)}_{\textbf{x}^{(i)}}(\tilde{\textbf{x}}_S), \dots, \frac{1}{n}
\sum_{i = 1}^n \text{sIDEA}^{(k)}_{\textbf{x}^{(i)}}(\tilde{\textbf{x}}_S) \right)
where the c-th vector element is the average c-th vector element of local sIDEA functions. The global hIDEA corresponds to:
\text{hIDEA}_X(\tilde{\textbf{x}}_S) = \left(\frac{1}{n}\sum_{i = 1}^n
\mathbb{1}_{1}(\text{hIDEA}_{\textbf{x}^{(i)}}(\tilde{\textbf{x}}_S)), \dots,
\frac{1}{n}\sum_{i = 1}^n \mathbb{1}_{k}(\text{hIDEA}_{\textbf{x}^{(i)}}(\tilde{\textbf{x}}_S))\right)
where the c-th vector element is the fraction of hard label reassignments to the c-th cluster.
Public fields
predictor
ClustPredictor
The object (created withClustPredictor$new()
) holding the cluster algorithm and the data.feature
(
character or list
)
Features/ feature sets to calculate the effect curves.method
character(1)
TheIDEA
method to be used.mg
DataGenerator
AMarginalGenerator
object to sample and generate the pseudo instances.results
data.table
TheIDEA
results.noise.out
any
Indicator for the noise variable.
Active bindings
type
function
Detect the type in the predictor
Methods
Public methods
Method new()
Create an IDEA object.
Usage
IDEA$new(predictor, feature, method = "g+l", grid.size = 20L, noise.out = NULL)
Arguments
predictor
ClustPredictor
The object (created withClustPredictor$new()
) holding the cluster algorithm and the data.feature
(
character or list
)
For which features do you want importance scores calculated. The default value ofNULL
implies all features. Use a named list of character vectors to define groups of features for which joint importance will be calculated.method
character(1)
TheIDEA
method to be used. Possible choices for the method are:
"g+l"
(default): store global and localIDEA
results"local"
: store only localIDEA
results"global"
: store only globalIDEA
results"init_local"
: store only localIDEA
results and additional reference for the observations initial assigned cluster."init_g+l"
store global and localIDEA
results and additional reference for the observations initial assigned cluster.grid.size
(numeric(1) or NULL)
size of the grid to replace values. If grid size is given, an equidistant grid is create. IfNULL
, values are calculated at all present combinations of feature values.noise.out
any
Indicator for the noise variable. If not NULL, noise will be excluded from the effect estimation.
Returns
(data.frame)
Values for the effect curves:
One row per grid per instance for each local idea
estimation. If method
includes global estimation, one
additional row per grid point.
Method plot()
Plot an IDEA object.
Usage
IDEA$plot(c = NULL)
Arguments
c
indicator for the cluster to plot. If
NULL
, all clusters are plotted.
Returns
(ggplot)
A ggplot object that depends on the method
chosen.
Method plot_globals()
Plot the global sIDEA curves of all clusters.
Usage
IDEA$plot_globals(mass = NULL)
Arguments
mass
between 0 and 1. The percentage of local
IDEA
curves to plot a certainty interval.
Returns
(ggplot)
A ggplot object.
Method clone()
The objects of this class are cloneable with this method.
Usage
IDEA$clone(deep = FALSE)
Arguments
deep
Whether to make a deep clone.
See Also
iml::FeatureEffects, iml::FeatureEffects
Examples
# load data and packages
require(factoextra)
require(FuzzyDBScan)
multishapes = as.data.frame(multishapes[, 1:2])
# Set up an train FuzzyDBScan
eps = c(0, 0.2)
pts = c(3, 15)
res = FuzzyDBScan$new(multishapes, eps, pts)
res$plot("x", "y")
# create soft label predictor
predict_prob = function(model, newdata) model$predict(new_data = newdata)
predictor = ClustPredictor$new(res, as.data.frame(multishapes), y = res$results,
predict.function = predict_prob, type = "prob")
# Calculate `IDEA` global and local for feature "x"
idea_x = IDEA$new(predictor = predictor, feature = "x", grid.size = 5)
idea_x$plot_globals(0.5) # plot global effect of all clusters with 50 percent of local mass.
SMART
- Scoring Metric after Permutation
Description
SMART
estimates the importance of a feature to the clustering algorithm
by measuring changes in cluster assignments by scoring functions after
permuting selected feature. Cluster-specific SMART
indicates the importance
of specific clusters versus the remaining ones, measured by a binary scoring
metric. Global SMART
assigns importance scores across all clusters, measured
by a multi-class scoring metric. Currently, SMART
can only be used for hard
label predictors.
Details
Let M \in \mathbb{N}_0^{k \times k}
denote the multi-cluster
confusion matrix and M_c \in \mathbb{N}_0^{2 \times 2}
the binary
confusion matrix for cluster c versus the remaining clusters. SMART
for
feature set S corresponds to:
\text{Multi-cluster scoring:} \quad \text{SMART}(X, \tilde{X}_S) = h_{\text{multi}}(M) \\
\text{Binary scoring:} \quad \text{SMART}(X, \tilde{X}_S) = \text{AVE}(h_{\text{binary}}(M_1), \dots, h_{\text{binary}}(M_k))
where \text{AVE}
averages a vector of binary scores, e.g., via micro or
macro averaging.
In order to reduce variance in the estimate from shuffling the data, one can
shuffle t times and evaluate the distribution of scores. Let \tilde{X}_S^{(t)}
denote the t-th shuffling iteration for feature set S. The SMART
point
estimate is given by:
\overline{\text{SMART}}(X, \tilde{X}_S) = \psi\left(\text{SMART}(X, \tilde{X}_S^{(1)}),
\dots, \text{SMART}(X, \tilde{X}_S^{(t)})\right)
where \psi
extracts a sample statistic such as the mean or median or quantile.
Public fields
avg
(
character(1)
orNULL
)
NULL
is calculating cluster-specific (binary) metrics."micro"
summarizes binary scores to a global score that treats each instance in the data set with equal importance."macro"
summarizes binary scores to a global score that treats each cluster with equal importance.metric
character(1)
The binary similarity metric used.predictor
ClustPredictor
The object (created withClustPredictor$new()
) holding the cluster algorithm and the data.data.sample
data.frame
The data, including features and cluster soft/ hard labels.sampler
any
Sampler from thepredictor
object.features
(
character or list
)
Features/ feature sets to calculate importance scores.n.repetitions
(
numeric(1)
)
How often is the shuffling of the feature repeated?results
(
data.table
)
A data.table containing the results fromSMART
procedure.
Methods
Public methods
Method new()
Create a SMART object
Usage
SMART$new( predictor, features = NULL, metric = "f1", avg = NULL, n.repetitions = 5 )
Arguments
predictor
ClustPredictor
The object (created withClustPredictor$new()
) holding the cluster algorithm and the data.features
(
character or list
)
For which features do you want importance scores calculated. The default value ofNULL
implies all features. Use a named list of character vectors to define groups of features for which joint importance will be calculated.metric
character(1)
The binary similarity metric used. Defaults tof1
, where F1 Score is used. Other possible binary scores are"precision"
,"recall"
,"jaccard"
,"folkes_mallows"
and"accuracy"
.avg
(
character(1)
orNULL
)
EitherNULL
,"micro"
or"macro"
. Defaults toNULL
is calculating cluster-specific (binary) metrics."micro"
summarizes binary scores to a global score that treats each instance in the data set with equal importance."macro"
summarizes binary scores to a global score that treats each cluster with equal importance. For unbalanced clusters,"macro"
is more recommendable.n.repetitions
(
numeric(1)
)
How often should the shuffling of the feature be repeated? The higher the number of repetitions the more stable and accurate the results become.
Returns
(data.frame)
data.frame with the results of the feature importance computation.
One row per feature with the following columns:
For global scores:
importance.05 (5% quantile of importance values from the repetitions)
importance (median importance)
importance.95 (95% quantile) and the permutation.error (median error over all repetitions). For cluster specific scores each column indicates for a different cluster.
Method print()
Print a SMART
object
Usage
SMART$print()
Returns
character
Information about predictor
, data
, metric
, and avg
and head of the results
.
Method plot()
plots the similarity score results of a SMART
object.
Usage
SMART$plot(log = FALSE, single_cl = NULL)
Arguments
log
logical(1)
Indicator weather results should be logged. This can be useful to distinguish the importance if similarity scores are all close to 1.single_cl
character(1)
Only used for cluster-specific scores (avg = NULL
). Should match one of the cluster names. In this case, importance scores for a single cluster are plotted.
Details
The plot shows the similarity per feature.
For global scores:
When n.repetitions
in SMART$new
was larger than 1, then we get
multiple similarity estimates per feature. The similarity are aggregated and
the plot shows the median similarity per feature (as dots) and also the
90%-quantile, which helps to understand how much variance the computation has
per feature.
For cluster-specific scores:
Stacks the similarity estimates of all clusters per feature.
Can be used to achieve a global estimate as a sum of
cluster-wise similarities.
Returns
ggplot2 plot object
Method clone()
The objects of this class are cloneable with this method.
Usage
SMART$clone(deep = FALSE)
Arguments
deep
Whether to make a deep clone.
See Also
Examples
# load data and packages
require(factoextra)
require(FuzzyDBScan)
multishapes = as.data.frame(multishapes[, 1:2])
# Set up an train FuzzyDBScan
eps = c(0, 0.2)
pts = c(3, 15)
res = FuzzyDBScan$new(multishapes, eps, pts)
res$plot("x", "y")
# create hard label predictor
predict_part = function(model, newdata) model$predict(new_data = newdata, cmatrix = FALSE)$cluster
predictor = ClustPredictor$new(res, as.data.frame(multishapes), y = res$clusters,
predict.function = predict_part, type = "partition")
# Run SMART globally
macro_f1 = SMART$new(predictor, n.repetitions = 50, metric = "f1", avg = "macro")
macro_f1 # print global SMART
macro_f1$plot(log = TRUE) # plot global SMART
# Run cluster specific SMART
classwise_f1 = SMART$new(predictor, n.repetitions = 50, metric = "f1")
macro_f1 # print regional SMART
macro_f1$plot(log = TRUE) # plot regional SMART
Create a generic prediction function
Description
Create the algorithms prediction function.
Usage
create_predict_fun(model, task, predict.fun = NULL, type = NULL)
## S3 method for class 'Learner'
create_predict_fun(model, task, predict.fun = NULL, type = NULL)
Arguments
model |
any |
task |
|
predict.fun |
function(model, newdata) To be extended for more methods. |
type |
|
Value
A unified cluster assignment function for either hard or soft labels.
Methods (by class)
-
create_predict_fun(Learner)
: Create a predict function for algorithms frommlr3cluster
Evaluate Class
Description
Calculation of binary similarity metric based on confusion matrix.
Usage
evaluate_class(actual, predicted, metric = "f1")
calculate_confusion(actual, predicted)
Arguments
actual |
|
predicted |
|
metric |
|
Value
A binary score for each of the clusters and the number of instances.
Functions
-
calculate_confusion()
: Calculate confusion matrix