# Running Experiments¶

## General Workflow¶

To run your own SKLL experiments via the command line, the following general workflow is recommended.

Get your data into the correct format

SKLL can work with several common data formats, all of which are described here.

If you need to convert between any of the supported formats, because, for example, you would like to create a single data file that will work both with SKLL and Weka (or some other external tool), the skll_convert script can help you out. It is as easy as:

$skll_convert examples/titanic/train/family.csv examples/titanic/train/family.arff  Create sparse feature files, if necessary skll_convert can also create sparse data files in .jsonlines, .libsvm, or .ndj formats. This is very useful for saving disk space and memory when you have a large data set with mostly zero-valued features. Set up training and testing directories/files At a minimum, you will probably want to work with a training set and a testing set. If you have multiple feature files that you would like SKLL to join together for you automatically, you will need to create feature files with the exact same names and store them in training and testing directories. You can specifiy these directories in your config file using train_directory and test_directory. The list of files is specified using the featuresets setting. If you’re conducting a simpler experiment, where you have a single training file with all of your features and a similar single testing file, you should use the train_file and test_file settings in your config file. Note If you would like to split an existing file up into a training set and a testing set, you can employ the filter_features utility script to select instances you would like to include in each file. Create an experiment configuration file You saw a basic configuration file in the tutorial. For your own experiment, you will need to refer to the Configuration file fields section. Run configuration file through run_experiment There are a few meta-options for experiments that are specified directly to the run_experiment command rather than in a configuration file. For example, if you would like to run an ablation experiment, which conducts repeated experiments using different combinations of the features in your config, you should use the run_experiment --ablation option. A complete list of options is available here. Next, we describe the numerous file formats that SKLL supports for reading in features. ## Feature files¶ SKLL supports the following feature file formats: ### arff¶ The same file format used by Weka with the following added restrictions: • Only simple numeric, string, and nomimal values are supported. • Nominal values are converted to strings. • If the data has instance IDs, there should be an attribute with the name specified by id_col in the Input section of the configuration file you create for your experiment. This defaults to id. If there is no such attribute, IDs will be generated automatically. • If the data is labelled, there must be an attribute with the name specified by label_col in the Input section of the configuartion file you create for your experiment. This defaults to y. This must also be the final attribute listed (like in Weka). ### csv/tsv¶ A simple comma or tab-delimited format. SKLL underlyingly uses [pandas](https://pandas.pydata.org) to read these files which is extremely fast but at the cost of some extra memory consumption. When using this file format, the following restrictions apply: • If the data is labelled, there must be a column with the name specified by label_col in the Input section of the configuration file you create for your experiment. This defaults to y. • If the data has instance IDs, there should be a column with the name specified by id_col in the Input section of the configuration file you create for your experiment. This defaults to id. If there is no such column, IDs will be generated automatically. • All other columns contain feature values, and every feature value must be specified (making this a poor choice for sparse data). Warning 1. SKLL will raise an error if there are blank values in any of the columns. You must either drop all rows with blank values in any column or replace the blanks with a value you specify. To drop or replace via the command line, use the filter_features script. You can also drop/replace via the SKLL Reader API, specifically skll.data.readers.CSVReader and skll.data.readers.TSVReader. 2. Dropping blanks will drop all rows with blanks in any of the columns. If you care only about some of the columns in the file and do not want to rows to be dropped due to blanks in the other columns, you should remove the columns you do not care about before dropping the blanks. For example, consider a hypothetical file in.csv that contains feature columns named A through G with the IDs stored in a column named ID and the labels stored in a column named CLASS. You only care about columns A, C, and F and want to drop all rows in the file that have blanks in any of these 3 columns but do not want to lose data due to there being blanks in any of the other columns. On the command line, you can run the following two commands: $ filter_features -f A C F --id_col ID --label_col class in.csv temp.csv
\$ filter_features --id_col ID --label_col CLASS --drop_blanks temp.csv out.csv


If you are using the SKLL Reader API, you can accomplish the same in a single step by also passing using the keyword argument pandas_kwargs when instantiating either a skll.data.readers.CSVReader or a skll.data.readers.TSVReader. For our example:

r = CSVReader.for_path('/path/to/in.csv',
label_col='CLASS',
id_col='ID',
drop_blanks=True,
pandas_kwargs={'usecols': ['A', 'C', 'F', 'ID', 'CLASS']})


Make sure to include the ID and label columns in the usecols list otherwise pandas will drop them too.

### libsvm¶

While we can process the standard input file format supported by LibSVM, LibLinear, and SVMLight, we also support specifying extra metadata usually missing from the format in comments at the of each line. The comments are not mandatory, but without them, your labels and features will not have names. The comment is structured as follows:

ID | 1=ClassX | 1=FeatureA 2=FeatureB


The entire format would like this:

2 1:2.0 3:8.1 # Example1 | 2=ClassY | 1=FeatureA 3=FeatureC
1 5:7.0 6:19.1 # Example2 | 1=ClassX | 5=FeatureE 6=FeatureF


Note

IDs, labels, and feature names cannot contain the following characters: | # =

## Configuration file fields¶

The experiment configuration files that run_experiment accepts are standard Python configuration files that are similar in format to Windows INI files. [1] There are four expected sections in a configuration file: General, Input, Tuning, and Output. A detailed description of each field in each section is provided below, but to summarize:

• If you want to do cross-validation, specify a path to training feature files, and set task to cross_validate. Please note that the cross-validation currently uses StratifiedKFold. You also can optionally use predetermined folds with the folds_file setting.

Note

When using classifiers, SKLL will automatically reduce the number of cross-validation folds to be the same as the minimum number of examples for any of the classes in the training data.

• If you want to train a model and evaluate it on some data, specify a training location, a test location, and a directory to store results, and set task to evaluate.
• If you want to just train a model and generate predictions, specify a training location, a test location, and set task to predict.
• If you want to just train a model, specify a training location, and set task to train.
• If you want to generate a learning curve for your data, specify a training location and set task to learning_curve. The learning curve is generated using essentially the same underlying process as in scikit-learn except that the SKLL feature pre-processing pipline is used while training the various models and computing the scores.

Note

Ideally, one would first do cross-validation experiments with grid search and/or ablation and get a well-performing set of features and hyper-parameters for a set of learners. Then, one would explicitly specify those features (via featuresets) and hyper-parameters (via fixed_parameters) in the config file for the learning curve and explore the impact of the size of the training data.

Example configuration files are available here under the boston, iris, and titanic sub-directories.

### General¶

Both fields in the General section are required.

#### experiment_name¶

A string used to identify this particular experiment configuration. When generating result summary files, this name helps prevent overwriting previous summaries.

What types of experiment we’re trying to run. Valid options are: cross_validate, evaluate, predict, train, learning_curve.

### Input¶

The Input section must specify the machine learners to use via the learners field as well as the data and features to be used when training the model. This can be done by specifying either (a) train_file in which case all of the features in the file will be used, or (b) train_directory along with featuresets.

#### learners¶

List of scikit-learn models to be used in the experiment. Acceptable values are described below. Custom learners can also be specified. See custom_learner_path.

Classifiers:

Regressors:

For all regressors, you can also prepend Rescaled to the beginning of the full name (e.g., RescaledSVR) to get a version of the regressor where predictions are rescaled and constrained to better match the training set.

#### featuresets¶

List of lists of prefixes for the files containing the features you would like to train/test on. Each list will end up being a job. IDs are required to be the same in all of the feature files, and a ValueError will be raised if this is not the case. Cannot be used in combination with train_file or test_file.

Note

If specifying train_directory or test_directory, featuresets is required.

#### train_file¶

Path to a file containing the features to train on. Cannot be used in combination with featuresets, train_directory, or test_directory.

Note

If train_file is not specified, train_directory must be.

#### train_directory¶

Path to directory containing training data files. There must be a file for each featureset. Cannot be used in combination with train_file or test_file.

Note

If train_directory is not specified, train_file must be.

The following is a list of the other optional fields in this section in alphabetical order.

#### class_map (Optional)¶

If you would like to collapse several labels into one, or otherwise modify your labels (without modifying your original feature files), you can specify a dictionary mapping from new class labels to lists of original class labels. For example, if you wanted to collapse the labels beagle and dachsund into a dog class, you would specify the following for class_map:

{'dog': ['beagle', 'dachsund']}


Any labels not included in the dictionary will be left untouched.

One other use case for class_map is to deal with classification labels that would be converted to float improperly. All Reader sub-classes use the skll.data.readers.safe_float function internally to read labels. This function tries to convert a single label first to int, then to float. If neither conversion is possible, the label remains a str. Thus, care must be taken to ensure that labels do not get converted in unexpected ways. For example, consider the situation where there are classification labels that are a mixture of int-converting and float-converting labels:

import numpy as np
np.array([safe_float(x) for x in ["2", "2.2", "2.21"]]) # array([2.  , 2.2 , 2.21])


The labels will all be converted to floats and any classification model generated with this data will predict labels such as 2.0, 2.2, etc., not str values that exactly match the input labels, as might be expected. class_map could be used to map the original labels to new values that do not have the same characteristics.

#### custom_learner_path (Optional)¶

Path to a .py file that defines a custom learner. This file will be imported dynamically. This is only required if a custom learner is specified in the list of learners.

All Custom learners must implement the fit and predict methods. Custom classifiers must either (a) inherit from an existing scikit-learn classifier, or (b) inherit from both sklearn.base.BaseEstimator. and from sklearn.base.ClassifierMixin.

Similarly, Custom regressors must either (a) inherit from an existing scikit-learn regressor, or (b) inherit from both sklearn.base.BaseEstimator. and from sklearn.base.RegressorMixin.

Learners that require dense matrices should implement a method requires_dense that returns True.

#### custom_metric_path (Optional)¶

Path to a .py file that defines a custom metric function. This file will be imported dynamically. This is only required if a custom metric is specified as a tuning objective, an output metric, or both.

#### feature_hasher (Optional)¶

If “true”, this enables a high-speed, low-memory vectorizer that uses feature hashing for converting feature dictionaries into NumPy arrays instead of using a DictVectorizer. This flag will drastically reduce memory consumption for data sets with a large number of features. If enabled, the user should also specify the number of features in the hasher_features field. For additional information see the scikit-learn documentation.

Warning

Due to the way SKLL experiments are architected, if the features for an experiment are spread across multiple files on disk, feature hashing will be applied to each file separately. For example, if you have F feature files and you choose H as the number of hashed features (via hasher_features), you will end up with F x H features in the end. If this is not the desired behavior, use the join_features utility script to combine all feature files into a single file before running the experiment.

#### feature_scaling (Optional)¶

Whether to scale features by their mean and/or their standard deviation. If you scale by mean, your data will automatically be converted to dense, so use caution when you have a very large dataset. Valid options are:

none
Perform no feature scaling at all.
with_std
Scale feature values by their standard deviation.
with_mean
Center features by subtracting their mean.
both
Perform both centering and scaling.

Defaults to none.

#### featureset_names (Optional)¶

Optional list of names for the feature sets. If omitted, then the prefixes will be munged together to make names.

#### folds_file (Optional)¶

Path to a csv file specifying the mapping of instances in the training data to folds. This can be specified when the task is either train or cross_validate. For the train task, if grid_search is True, this file, if specified, will be used to define the cross-validation used for the grid search (leave one fold ID out at a time). Otherwise, it will be ignored.

For the cross_validate task, this file will be used to define the outer cross-validation loop and, if grid_search is True, also for the inner grid-search cross-validation loop. If the goal of specifiying the folds file is to ensure that the model does not learn to differentiate based on a confound: e.g. the data from the same person is always in the same fold, it makes sense to keep the same folds for both the outer and the inner cross-validation loops.

However, sometimes the goal of specifying the folds file is simply for the purpose of comparison to another existing experiment or another context in which maintaining the constitution of the folds in the inner grid-search loop is not required. In this case, users may set the parameter use_folds_file_for_grid_search to False which will then direct the inner grid-search cross-validation loop to simply use the number specified via grid_search_folds instead of using the folds file. This will likely lead to shorter execution times as well depending on how many folds are in the folds file and the value of grid_search_folds.

The format of this file must be as follows: the first row must be a header. This header row is ignored, so it doesn’t matter what the header row contains, but it must be there. If there is no header row, whatever row is in its place will be ignored. The first column should consist of training set IDs and the second should be a string for the fold ID (e.g., 1 through 5, A through D, etc.). If specified, the CV and grid search will leave one fold ID out at a time. [2]

#### fixed_parameters (Optional)¶

List of dictionaries containing parameters you want to have fixed for each learner in learners list. Any empty ones will be ignored (and the defaults will be used). If grid_search (Optional) is True, there is a potential for conflict with specified/default parameter grids and fixed parameters.

The default fixed parameters (beyond those that scikit-learn sets) are:

{'n_estimators': 500, 'random_state': 123456789}

DecisionTreeClassifier and DecisionTreeRegressor
{'random_state': 123456789}

DummyClassifier
{'random_state': 123456789}

ElasticNet
{'random_state': 123456789}

{'n_estimators': 500, 'random_state': 123456789}

Lasso:
{'random_state': 123456789}

LinearSVC and LinearSVR
{'random_state': 123456789}

LogisticRegression
{'max_iter': 1000, multi_class': 'auto', random_state': 123456789, 'solver': 'liblinear'}


Note

The regularization penalty used by default is "l2". However, "l1", "elasticnet", and "none" (no regularization) are also available. There is a dependency between the penalty and the solver. For example, the "elasticnet" penalty can only be used in conjunction with the "saga" solver. See more information in the scikit-learn documentation here.

MLPClassifier and MLPRegressor:
{'learning_rate': 'invscaling', max_iter': 500}

RandomForestClassifier and RandomForestRegressor
{'n_estimators': 500, 'random_state': 123456789}

RANSACRegressor
{'loss': 'squared_loss', 'random_state': 123456789}

Ridge and RidgeClassifier
{'random_state': 123456789}

SVC and SVR
{'cache_size': 1000, 'gamma': 'scale'}

SGDClassifier
{'loss': 'log', 'max_iter': 1000, random_state': 123456789, 'tol': 1e-3}

SGDRegressor
{'max_iter': 1000, 'random_state': 123456789, 'tol': 1e-3}

TheilSenRegressor
{'random_state': 123456789}


Note

The fixed_parameters field offers us a way to deal with imbalanced data sets by using the parameter class_weight for the following classifiers: DecisionTreeClassifier, LogisticRegression, LinearSVC, RandomForestClassifier, RidgeClassifier, SGDClassifier, and SVC.

Two possible options are available. The first one is balanced, which automatically adjusts weights inversely proportional to class frequencies, as shown in the following code:

{'class_weight': 'balanced'}


The second option allows you to assign a specific weight per each class. The default weight per class is 1. For example:

{'class_weight': {1: 10}}


Additional examples and information can be seen here.

#### hasher_features (Optional)¶

The number of features used by the FeatureHasher if the feature_hasher flag is enabled.

Note

To avoid collisions, you should always use the power of two larger than the number of features in the data set for this setting. For example, if you had 17 features, you would want to set the flag to 32.

#### id_col (Optional)¶

If you’re using ARFF, CSV, or TSV files, the IDs for each instance are assumed to be in a column with this name. If no column with this name is found, the IDs are generated automatically. Defaults to id.

#### ids_to_floats (Optional)¶

If you have a dataset with lots of examples, and your input files have IDs that look like numbers (can be converted by float()), then setting this to True will save you some memory by storing IDs as floats. Note that this will cause IDs to be printed as floats in prediction files (e.g., 4.0 instead of 4 or 0004 or 4.000).

#### label_col (Optional)¶

If you’re using ARFF, CSV, or TSV files, the class labels for each instance are assumed to be in a column with this name. If no column with this name is found, the data is assumed to be unlabelled. Defaults to y. For ARFF files only, this must also be the final column to count as the label (for compatibility with Weka).

#### learning_curve_cv_folds_list (Optional)¶

List of integers specifying the number of folds to use for cross-validation at each point of the learning curve (training size), one per learner. For example, specifying ["SVC", "LogisticRegression"] for learners and specifying [10, 100] for learning_curve_cv_folds_list will tell SKLL to use 10 cross-validation folds at each point of the SVC curve and 100 cross-validation folds at each point of the logistic regression curve. Although more folds will generally yield more reliable results, smaller number of folds may be better for learners that are slow to train. Defaults to 10 for each learner.

#### learning_curve_train_sizes (Optional)¶

List of floats or integers representing relative or absolute numbers of training examples that will be used to generate the learning curve respectively. If the type is float, it is regarded as a fraction of the maximum size of the training set (that is determined by the selected validation method), i.e. it has to be within (0, 1]. Otherwise it is interpreted as absolute sizes of the training sets. Note that for classification the number of samples usually has to be big enough to contain at least one sample from each class. Defaults to [0.1, 0.325, 0.55, 0.775, 1.0].

#### num_cv_folds (Optional)¶

The number of folds to use for cross validation. Defaults to 10.

#### random_folds (Optional)¶

Whether to use random folds for cross-validation. Defaults to False.

#### sampler (Optional)¶

Whether to use a feature sampler that performs non-linear transformations of the input, which can serve as a basis for linear classification or other algorithms. Valid options are: Nystroem, RBFSampler, SkewedChi2Sampler, and AdditiveChi2Sampler. For additional information see the scikit-learn documentation.

Note

Using a feature sampler with the MultinomialNB learner is not allowed since it cannot handle negative feature values.

#### sampler_parameters (Optional)¶

dict containing parameters you want to have fixed for the sampler. Any empty ones will be ignored (and the defaults will be used).

The default fixed parameters (beyond those that scikit-learn sets) are:

Nystroem
{'random_state': 123456789}

RBFSampler
{'random_state': 123456789}

SkewedChi2Sampler
{'random_state': 123456789}


#### shuffle (Optional)¶

If True, shuffle the examples in the training data before using them for learning. This happens automatically when doing a grid search but it might be useful in other scenarios as well, e.g., online learning. Defaults to False.

#### suffix (Optional)¶

The file format the training/test files are in. Valid option are .arff, .csv, .jsonlines, .libsvm, .ndj, and .tsv.

If you omit this field, it is assumed that the “prefixes” listed in featuresets are actually complete filenames. This can be useful if you have feature files that are all in different formats that you would like to combine.

#### test_file (Optional)¶

Path to a file containing the features to test on. Cannot be used in combination with featuresets, train_directory, or test_directory

#### test_directory (Optional)¶

Path to directory containing test data files. There must be a file for each featureset. Cannot be used in combination with train_file or test_file.

### Tuning¶

Generally, in this section, you would specify fields that pertain to the hyperparameter tuning for each learner. The most common required field is objectives although it may also be optional in certain circumstances.

#### objectives¶

A list of one or more metrics to use as objective functions for tuning the learner hyperparameters via grid search. Note that objectives is required by default in most cases unless (a) grid_search is explicitly set to False or (b) the task is learning_curve. For (a), any specified objectives are ignored. For (b), specifying objectives will raise an exception.

SKLL provides the following metrics but you can also write your own custom metrics.

Classification: The following objectives can be used for classification problems although some are restricted by problem type (binary/multiclass), types of labels (integers/floats/strings), and whether they are contiguous (if integers). Please read carefully.

Note

When doing classification, SKLL internally sorts and maps all the class labels in the data and maps them to integers which can be thought of class indices. This happens irrespective of the data type of the original labels. For example, if your data has the labels ['A', 'B', 'C'], SKLL will map them to the indices [0, 1, 2] respectively. It will do the same if you have integer labels ([1, 2, 3]) or floating point ones ([1.0, 1.1, 1.2]). All of the tuning objectives are computed using these integer indices rather than the original class labels. This is why some metrics only make sense in certain scenarios. For example, SKLL only allows using weighted kappa metrics as tuning objectives if the original class labels are contiguous integers, e.g., [1, 2, 3] or [4, 5, 6] – or even integer-like floats (e,g., [1.0, 2.0, 3.0], but not [1.0, 1.1, 1.2]).

• accuracy: Overall accuracy
• average_precision: Area under PR curve . To use this metric, probability must be set to True. (Binary classification only).
• balanced_accuracy: A version of accuracy specifically designed for imbalanced binary and multi-class scenarios.
• f1: The default scikit-learn F1 score (F1 of the positive class for binary classification, or the weighted average F1 for multiclass classification)
• f1_score_macro: Macro-averaged F1 score
• f1_score_micro: Micro-averaged F1 score
• f1_score_weighted: Weighted average F1 score
• f1_score_least_frequent: F1 score of the least frequent class. The least frequent class may vary from fold to fold for certain data distributions.
• f05: The default scikit-learn Fβ=0.5 score (Fβ=0.5 of the positive class for binary classification, or the weighted average Fβ=0.5 for multiclass classification)
• f05_score_macro: Macro-averaged Fβ=0.5 score
• f05_score_micro: Micro-averaged Fβ=0.5 score
• f05_score_weighted: Weighted average Fβ=0.5 score
• jaccard: The default Jaccard similarity coefficient from scikit-learn for binary classification.
• jaccard_macro: Macro-averaged Jaccard similarity coefficient
• jaccard_micro: Micro-averaged Jaccard similarity coefficient
• jaccard_weighted: Weighted average Jaccard similarity coefficient
• kendall_tau: Kendall’s tau . For binary classification and with probability set to True, the probabilities for the positive class will be used to compute the correlation values. In all other cases, the labels are used. (Integer labels only).
• linear_weighted_kappa: Linear weighted kappa. (Contiguous integer labels only).
• lwk_off_by_one: Same as linear_weighted_kappa, but all ranking differences are discounted by one. (Contiguous integer labels only).
• neg_log_loss: The negative of the classification log loss . Since scikit-learn recommends using negated loss functions as scorer functions, SKLL does the same for the sake of consistency. To use this metric, probability must be set to True.
• pearson: Pearson correlation . For binary classification and with probability set to True, the probabilities for the positive class will be used to compute the correlation values. In all other cases, the labels are used. (Integer labels only).
• precision: Precision for binary classification
• precision_macro: Macro-averaged Precision
• precision_micro: Micro-averaged Precision
• precision_weighted: Weighted average Precision
• qwk_off_by_one: Same as quadratic_weighted_kappa, but all ranking differences are discounted by one. (Contiguous integer labels only).
• recall: Recall for binary classification
• recall_macro: Macro-averaged Recall
• recall_micro: Micro-averaged Recall
• recall_weighted: Weighted average Recall
• roc_auc: Area under ROC curve .To use this metric, probability must be set to True. (Binary classification only).
• spearman: Spearman rank-correlation. For binary classification and with probability set to True, the probabilities for the positive class will be used to compute the correlation values. In all other cases, the labels are used. (Integer labels only).
• unweighted_kappa: Unweighted Cohen’s kappa.
• uwk_off_by_one: Same as unweighted_kappa, but all ranking differences are discounted by one. In other words, a ranking of 1 and a ranking of 2 would be considered equal.

Regression: The following objectives can be used for regression problems.

• explained_variance: A score indicating how much of the variance in the given data can be by the model.
• kendall_tau: Kendall’s tau
• linear_weighted_kappa: Linear weighted kappa (any floating point values are rounded to ints)
• lwk_off_by_one: Same as linear_weighted_kappa, but all ranking differences are discounted by one.
• max_error: The maximum residual error.
• neg_mean_absolute_error: The negative of the mean absolute error regression loss. Since scikit-learn recommends using negated loss functions as scorer functions, SKLL does the same for the sake of consistency.
• neg_mean_squared_error: The negative of the mean squared error regression loss. Since scikit-learn recommends using negated loss functions as scorer functions, SKLL does the same for the sake of consistency.
• pearson: Pearson correlation
• quadratic_weighted_kappa: Quadratic weighted kappa (any floating point values are rounded to ints)
• qwk_off_by_one: Same as quadratic_weighted_kappa, but all ranking differences are discounted by one.
• r2: R2
• spearman: Spearman rank-correlation
• unweighted_kappa: Unweighted Cohen’s kappa (any floating point values are rounded to ints)
• uwk_off_by_one: Same as unweighted_kappa, but all ranking differences are discounted by one. In other words, a ranking of 1 and a ranking of 2 would be considered equal.

The following is a list of the other optional fields in this section in alphabetical order.

#### grid_search (Optional)¶

Whether or not to perform grid search to find optimal parameters for the learner. Defaults to True since optimizing model hyperparameters almost always leads to better performance. Note that for the learning_curve task, grid search is not allowed and setting it to True will generate a warning and be ignored.

Note

1. In versions of SKLL before v2.0, this option was set to False by default but that was changed since the benefits of hyperparameter tuning significantly outweigh the cost in terms of model fitting time. Instead, SKLL users must explicitly opt out of hyperparameter tuning if they so desire.
2. Although SKLL only uses the combination of hyperparameters in the grid that maximizes the grid search objective, the results for all other points on the grid that were tried are also available. See the grid_search_cv_results attribute in the .results.json file.

grid_search_folds (Optional)

The number of folds to use for grid search. Defaults to 3.

#### grid_search_jobs (Optional)¶

Number of folds to run in parallel when using grid search. Defaults to number of grid search folds.

#### min_feature_count (Optional)¶

The minimum number of examples for which the value of a feature must be nonzero to be included in the model. Defaults to 1.

#### param_grids (Optional)¶

List of parameter grid dictionaries, one for each learner. Each parameter grid is a dictionary mapping from strings to list of parameter values. When you specify an empty dictionary for a learner, the default parameter grid for that learner will be searched.

The default parameter grids for each learner are:

{'learning_rate': [0.01, 0.1, 1.0, 10.0, 100.0]}

BayesianRidge
{'alpha_1': [1e-6, 1e-4, 1e-2, 1, 10],
'alpha_2': [1e-6, 1e-4, 1e-2, 1, 10],
'lambda_1': [1e-6, 1e-4, 1e-2, 1, 10],
'lambda_2': [1e-6, 1e-4, 1e-2, 1, 10]}

DecisionTreeClassifier and DecisionTreeRegressor
{'max_features': ["auto", None]}

ElasticNet
{'alpha': [0.01, 0.1, 1.0, 10.0, 100.0]}

{'max_depth': [1, 3, 5]}

HuberRegressor
{'epsilon': [1.05, 1.35, 1.5, 2.0, 2.5, 5.0],
'alpha': [1e-4, 1e-3, 1e-3, 1e-1, 1, 10, 100, 1000]}

KNeighborsClassifier and KNeighborsRegressor
{'n_neighbors': [1, 5, 10, 100],
'weights': ['uniform', 'distance']}

Lasso
{'alpha': [0.01, 0.1, 1.0, 10.0, 100.0]}

LinearSVC
{'C': [0.01, 0.1, 1.0, 10.0, 100.0]}

LogisticRegression
{'C': [0.01, 0.1, 1.0, 10.0, 100.0]}

MLPClassifier and MLPRegressor:
{'activation': ['logistic', 'tanh', 'relu'],
'alpha': [1e-4, 1e-3, 1e-3, 1e-1, 1],
'learning_rate_init': [0.001, 0.01, 0.1]},

MultinomialNB
{'alpha': [0.1, 0.25, 0.5, 0.75, 1.0]}

RandomForestClassifier and RandomForestRegressor
{'max_depth': [1, 5, 10, None]}

Ridge and RidgeClassifier
{'alpha': [0.01, 0.1, 1.0, 10.0, 100.0]}

SGDClassifier and SGDRegressor
{'alpha': [0.000001, 0.00001, 0.0001, 0.001, 0.01],
'penalty': ['l1', 'l2', 'elasticnet']}

SVC
{'C': [0.01, 0.1, 1.0, 10.0, 100.0],
'gamma': ['auto', 0.01, 0.1, 1.0, 10.0, 100.0]}

SVR
{'C': [0.01, 0.1, 1.0, 10.0, 100.0]}


Note

Note that learners not listed here do not have any default parameter grids in SKLL either because there are no hyper-parameters to tune or decisions about which parameters to tune (and how) depend on the data being used for the experiment and are best left up to the user.

#### pos_label_str (Optional)¶

A string denoting the label of the class to be treated as the positive class in a binary classification setting. If unspecified, the class represented by the label that appears second when sorted is chosen as the positive class. For example, if the two labels in data are “A” and “B” and pos_label_str is not specified, “B” will be chosen as the positive class.

#### use_folds_file_for_grid_search (Optional)¶

Whether to use the specified folds_file for the inner grid-search cross-validation loop when task is set to cross_validate. Defaults to True.

Note

This flag is ignored for all other tasks, including the train task where a specified folds_file is always used for the grid search.

### Output¶

The fields in this section generally pertain to the output files produced by the experiment. The most common fields are logs, models, predictions, and results. These fields are mostly optional although they may be required in certain cases. A common option is to use the same directory for all of these fields.

#### log (Optional)¶

Directory to store SKLL log files in. If omitted, the current working directory is used.

#### models (Optional)¶

Directory in which to store trained models. Can be omitted to not store models except when using the train task, where this path must be specified. On the other hand, this path must not be specified for the learning_curve task.

#### metrics (Optional)¶

For the evaluate and cross_validate tasks, this is an optional list of additional metrics that will be computed in addition to the tuning objectives and added to the results files. However, for the learning_curve task, this list is required. Possible values are all of the same functions as those available for the tuning objectives (with the same caveats).

As with objectives, You can also use your own custom metric functions.

Note

If the list of metrics overlaps with the grid search tuning objectives, then, for each job, the objective that overlaps is not computed again as a metric. Recall that each SKLL job can only contain a single tuning objective. Therefore, if, say, the objectives list is ['accuracy', 'roc_auc'] and the metrics list is ['roc_auc', 'average_precision'], then in the second job, roc_auc is used as the objective but not computed as an additional metric.

#### pipeline (Optional)¶

Whether or not the final learner object should contain a pipeline attribute that contains a scikit-learn Pipeline object composed of copies of each of the following steps of training the learner:

• feature vectorization (vectorizer)
• feature selection (selector)
• feature sampling (sampler)
• feature scaling (scaler)
• main estimator (estimator)

The strings in the parentheses represent the name given to each step in the pipeline.

The goal of this attribute is to allow better interoperability between SKLL learner objects and scikit-learn. The user can train the model in SKLL and then further tweak or analyze the pipeline in scikit-learn, if needed. Each component of the pipeline is a (deep) copy of the component that was fit as part of the SKLL model training process. We use copies since we do not want the original SKLL model to be affected if the user modifies the components of the pipeline in scikit-learn space.

Here’s an example of how to use this attribute.

from sklearn.preprocessing import LabelEncoder

from skll import Learner

# train a classifier and a regressor using the SKLL API
learner1 = Learner('LogisticRegression', pipeline=True)
_ = learner1.train(fs1, grid_search=True, grid_objective='f1_score_macro')

learner2 = Learner('RescaledSVR', feature_scaling='both', pipeline=True)
_ = learner2.train(fs2, grid_search=True, grid_objective='pearson')

# now, we can explore the stored pipelines in sklearn space
enc = LabelEncoder().fit(fs1.labels)

# first, the classifier
D1 = {"f0": 6.1, "f1": 2.8, "f2": 4.7, "f3": 1.2}
pipeline1 = learner1.pipeline
enc.inverse_transform(pipeline1.predict(D1))

# then, the regressor
D2 = {"f0": 0.09178, "f1": 0.0, "f2": 4.05, "f3": 0.0, "f4": 0.51, "f5": 6.416, "f6": 84.1, "f7": 2.6463, "f8": 5.0, "f9": 296.0, "f10": 16.6, "f11": 395.5, "f12": 9.04}
pipeline2 = learner2.pipeline
pipeline2.predict(D2)

# note that without the pipeline attribute, one would have to
# do the following for D1, which is much less readable
enc.inverse_transform(learner1.model.predict(learner1.scaler.transform(learner1.feat_selector.transform(learner1.feat_vectorizer.transform(D1)))))


Note

1. When using a DictVectorizer in SKLL along with feature_scaling set to either with_mean or both, the sparse attribute of the vectorizer stage in the pipeline is set to False since centering requires dense arrays.
2. When feature hashing is used (via a FeatureHasher ) in SKLL along with feature_scaling set to either with_mean or both , a custom pipeline stage (skll.learner.Densifier) is inserted in the pipeline between the feature vectorization (here, hashing) stage and the feature scaling stage. This is necessary since a FeatureHasher does not have a sparse attribute to turn off – it only returns sparse vectors.
3. A Densifier is also inserted in the pipeline when using a SkewedChi2Sampler for feature sampling since this sampler requires dense input and cannot be made to work with sparse arrays.

#### predictions (Optional)¶

Directory in which to store prediction files. Can be omitted to not store predictions. Must not be specified for the learning_curve and train tasks.

#### probability (Optional)¶

Whether or not to output probabilities for each class instead of the most probable class for each instance. Only really makes a difference when storing predictions. Defaults to False. Note that this also applies to the tuning objective.

#### results (Optional)¶

Directory in which to store result files. If omitted, the current working directory is used.

#### save_cv_folds (Optional)¶

Whether to save the folds file containing the folds for a cross-validation experiment. Defaults to False.

#### save_cv_models (Optional)¶

Whether to save each of the K model files trained during each step of a K-fold cross-validation experiment. Defaults to False.

## Using run_experiment¶

Once you have created the configuration file for your experiment, you can usually just get your experiment started by running run_experiment CONFIGFILE. [3] That said, there are a few options that are specified via command-line arguments instead of in the configuration file:

-a <num_features>, --ablation <num_features>

Runs an ablation study where repeated experiments are conducted with the specified number of feature files in each featureset in the configuration file held out. For example, if you have three feature files (A, B, and C) in your featureset and you specifiy --ablation 1, there will be three experiments conducted with the following featuresets: [[A, B], [B, C], [A, C]]. Additionally, since every ablation experiment includes a run with all the features as a baseline, the following featureset will also be run: [[A, B, C]].

If you would like to try all possible combinations of feature files, you can use the run_experiment --ablation_all option instead.

Warning

Ablation will not work if you specify a train_file and test_file since no featuresets are defined in that scenario.

-A, --ablation_all

Runs an ablation study where repeated experiments are conducted with all combinations of feature files in each featureset.

Warning

This can create a huge number of jobs, so please use with caution.

-k, --keep-models

If trained models already exist for any of the learner/featureset combinations in your configuration file, just load those models and do not retrain/overwrite them.

-r, --resume

If result files already exist for an experiment, do not overwrite them. This is very useful when doing a large ablation experiment and part of it crashes.

-v, --verbose

Print more status information. For every additional time this flag is specified, output gets more verbose.

--version

Show program’s version number and exit.

GridMap options

If you have GridMap installed, run_experiment will automatically schedule jobs on your DRMAA- compatible cluster. You can use the following options to customize this behavior.

-l, --local

Run jobs locally instead of using the cluster. [4]

-q <queue>, --queue <queue>

Use this queue for GridMap. (default: all.q)

-m <machines>, --machines <machines>

Comma-separated list of machines to add to GridMap’s whitelist. If not specified, all available machines are used.

Note

Full names must be specified, (e.g., nlp.research.ets.org).

## Output files¶

For most of the SKLL tasks the various output files generated by run_experiment share the automatically generated prefix <EXPERIMENT>_<FEATURESET>_<LEARNER>_<OBJECTIVE>, where the following definitions hold:

<EXPERIMENT>
The value of the experiment_name field in the configuration file.
<FEATURESET>
The components of the feature set that was used for training, joined with “+”.
<LEARNER>
The learner that was used to generate the current results/model/etc.
<OBJECTIVE>
The objective function that was used to generate the current results/model/etc.

Note

In SKLL terminology, a specific combination of featuresets, learners, and objectives specified in the configuration file is called a job. Therefore, an experiment (represented by a configuration file) can contain multiple jobs.

However, if the objectives field in the configuration file contains only a single value, the job can be disambiguated using only the featuresets and the learners since the objective is fixed. Therefore, the output files will have the prefix <EXPERIMENT>_<FEATURESET>_<LEARNER>.

The following types of output files can be generated after running an experiment configuration file through run_experiment. Note that some file types may or may not be generated depending on the values of the fields specified in the Output section of the configuration file.

### Log files¶

SKLL produces two types of log files – one for each job in the experiment and a single, top level log file for the entire experiment. Each of the job log files have the usual job prefix as described above whereas the experiment log file is simply named <EXPERIMENT>.log.

While the job-level log files contain messages that pertain to the specific characteristics of the job (e.g., warnings from scikit-learn pertaining to the specific learner), the experiment-level log file will contain logging messages that pertain to the overall experiment and configuration file (e.g., an incorrect option specified in the configuration file). The messages in all SKLL log files are in the following format:

<TIMESTAMP> - <LEVEL> - <MSG>


where <TIMESTAMP> refers to the exact time when the message was logged, <LEVEL> refers to the level of the logging message (e.g., INFO, WARNING, etc.), and <MSG> is the actual content of the message. All of the messages are also printed to the console in addition to being saved in the job-level log files and the experiment-level log file.

### Model files¶

Model files end in .model and are serialized skll.learner.Learner instances. run_experiment will re-use existing model files if they exist, unless it is explicitly told not to. These model files can also be loaded programmatically via the SKLL API, specifically the skll.learner.Learner.from_file() method.

### Results files¶

SKLL generates two types of result files:

1. Files ending in .results which contain a human-readable summary of the job, complete with confusion matrix, objective function score on the test set, and values of any additional metrics specified via the metrics configuration file option.
2. Files ending in .results.json, which contain all of the same information as the .results files, but in a format more well-suited to automated processing. In some cases, .results.json files may contain more information than their .results file counterparts. For example, when doing grid search for tuning model hyperparameters, these files contain an additional attribute grid_search_cv_results containing detailed results from the grid search process.

### Prediction files¶

Predictions files are TSV files that contain either the predicted values (for regression) OR predicted labels/class probabiltiies (for classification) for each instance in the test feature set. The value of the probability option decides whether SKLL outputs the labels or the probabilities.

When the predictions are labels or values, there are only two columns in the file: one containing the ID for the instance and the other containing the prediction. The headers for the two columns in this case are “id” and “prediction”.

When the predictions are class probabilities, there are N+1 columns in these files, where N is the number of classes in the training data. The header for the column containing IDs is still “id” and the labels themselves are the headers for the columns containing their respective probabilities. In the special case of binary classification, the positive class probabilities are always in the last column.

### Summary file¶

For every experiment you run, there will also be an experiment summary file generated that is a tab-delimited file summarizing the results for each job in the experiment. It is named <EXPERIMENT>_summary.tsv. For learning_curve experiments, this summary file will contain training set sizes and the averaged scores for all combinations of featuresets, learners, and objectives.

### Folds file¶

For the cross_validate task, SKLL can also output the actual folds and instance IDs used in the cross-validation process, if the save_cv_folds option is enabled. In this case, a file called <EXPERIMENT>_skll_fold_ids.csv is saved to disk.

### Learning curve plots¶

When running a learning_curve experiment, actual learning curves are also generated as PNG files - one for each feature set specified in the configuration file. Each PNG file is named EXPERIMENT_FEATURESET.png and contains a faceted learning curve plot for the featureset with objective functions on rows and learners on columns. Here’s an example of such a plot.

You can also generate the plots from the learning curve summary file using the plot_learning_curves utility script.

Footnotes

 [1] We are considering adding support for YAML configuration files in the future, but we have not added this functionality yet.
 [2] K-1 folds will be used for grid search within CV, so there should be at least 3 fold IDs.
 [3] If you installed SKLL via pip on macOS, you might get an error when using run_experiment to generate learning curves. To get around this, add MPLBACKEND=Agg before the run_experiment command and re-run.
 [4] This will happen automatically if GridMap cannot be imported.