Ridge regression addresses some of the problems of Ordinary Least Squares by imposing a penalty on the size of coefficients. The ridge coefficients minimize a penalized residual sum of squares,
Here, alpha is a complexity parameter that controls the amount of shrinkage: the larger the value of , the greater the amount of shrinkage and thus the coefficients become more robust to collinearity.
The Lasso is a linear model that estimates sparse coefficients. It is useful in some contexts due to its tendency to prefer solutions with fewer parameter values, effectively reducing the number of variables upon which the given solution is dependent. For this reason, the Lasso and its variants are fundamental to the field of compressed sensing. Under certain conditions, it can recover the exact set of non-zero weights.
Mathematically, it consists of a linear model trained with l1 prior as regularizer. The objective function to minimize is:
The lasso estimate thus solves the minimization of the least-squares penalty with alpha * ||w||_1 added, where alpha is a constant and ||w||_1 is the l1-norm of the parameter vector.
ElasticNet is a linear regression model trained with L1 and L2 prior as regularizer. This combination allows for learning a sparse model where few of the weights are non-zero like Lasso, while still maintaining the regularization properties of Ridge. We control the convex combination of L1 and L2 using the l1_ratio parameter.
Elastic-net is useful when there are multiple features which are correlated with one another. Lasso is likely to pick one of these at random, while elastic-net is likely to pick both.
A practical advantage of trading-off between Lasso and Ridge is it allows Elastic-Net to inherit some of Ridge’s stability under rotation.
The objective function to minimize is in this case
Least Angle Regression (LARS)
LassoLars is a lasso model implemented using the LARS algorithm, and unlike the implementation based on coordinate_descent, this yields the exact solution, which is piecewise linear as a function of the norm of its coefficients.
Logistic regression, despite its name, is a linear model for classification rather than regression. Logistic regression is also known in the literature as logit regression, maximum-entropy classification (MaxEnt) or the log-linear classifier. In this model, the probabilities describing the possible outcomes of a single trial are modeled using a logistic function.
The implementation of logistic regression in scikit-learn can be accessed from class LogisticRegression. This implementation can fit binary, One-vs- Rest, or multinomial logistic regression with optional L2 or L1 regularization.
As an optimization problem, binary class L2 penalized logistic regression minimizes the following cost function:
Similarly, L1 regularized logistic regression solves the following optimization problem
Note that, in this notation, it’s assumed that the observation y_i takes values in the set -1, 1 at trial i.
Support Vector Machines
Support vector machines (SVMs) are a set of supervised learning methods used for classification, regression and outliers detection.
The advantages of support vector machines are:
Effective in high dimensional spaces.
- Still effective in cases where number of dimensions is greater than the number of samples.
- Uses a subset of training points in the decision function (called support vectors), so it is also memory efficient.
- Versatile: different Kernel functions can be specified for the decision function. Common kernels are provided, but it is also possible to specify custom kernels.
The disadvantages of support vector machines include:
- If the number of features is much greater than the number of samples, avoid over-fitting in choosing Kernel functions and regularization term is crucial.
- SVMs do not directly provide probability estimates, these are calculated using an expensive five-fold cross-validation (see Scores and probabilities, below).
sklearn.neighbors provides functionality for unsupervised and supervised neighbors-based learning methods. Unsupervised nearest neighbors is the foundation of many other learning methods, notably manifold learning and spectral clustering. Supervised neighbors-based learning comes in two flavors: classification for data with discrete labels, and regression for data with continuous labels.
The principle behind nearest neighbor methods is to find a predefined number of training samples closest in distance to the new point, and predict the label from these. The number of samples can be a user-defined constant (k-nearest neighbor learning), or vary based on the local density of points (radius-based neighbor learning). The distance can, in general, be any metric measure: standard Euclidean distance is the most common choice. Neighbors-based methods are known as non-generalizing machine learning methods, since they simply “remember” all of its training data (possibly transformed into a fast indexing structure such as a Ball Tree or KD Tree).
Despite its simplicity, nearest neighbors has been successful in a large number of classification and regression problems, including handwritten digits and satellite image scenes. Being a non-parametric method, it is often successful in classification situations where the decision boundary is very irregular.
Decision Trees (DTs) are a non-parametric supervised learning method used for classification and regression. The goal is to create a model that predicts the value of a target variable by learning simple decision rules inferred from the data features.
For instance, in the example below, decision trees learn from data to approximate a sine curve with a set of if-then-else decision rules. The deeper the tree, the more complex the decision rules and the fitter the model.
Some advantages of decision trees are:
- Simple to understand and to interpret. Trees can be visualised.
- Requires little data preparation. Other techniques often require data normalisation, dummy variables need to be created and blank values to be removed. Note however that this module does not support missing values.
- The cost of using the tree (i.e., predicting data) is logarithmic in the number of data points used to train the tree.
- Able to handle both numerical and categorical data. Other techniques are usually specialised in analysing datasets that have only one type of variable. See algorithms for more information.
- Able to handle multi-output problems.
- Uses a white box model. If a given situation is observable in a model, the explanation for the condition is easily explained by boolean logic. By contrast, in a black box model (e.g., in an artificial neural network), results may be more difficult to interpret.
- Possible to validate a model using statistical tests. That makes it possible to account for the reliability of the model.
- Performs well even if its assumptions are somewhat violated by the true model from which the data were generated.
The disadvantages of decision trees include:
- Decision-tree learners can create over-complex trees that do not generalise the data well. This is called overfitting. Mechanisms such as pruning (not currently supported), setting the minimum number of samples required at a leaf node or setting the maximum depth of the tree are necessary to avoid this problem.
- Decision trees can be unstable because small variations in the data might result in a completely different tree being generated. This problem is mitigated by using decision trees within an ensemble.
- The problem of learning an optimal decision tree is known to be NP-complete under several aspects of optimality and even for simple concepts. Consequently, practical decision-tree learning algorithms are based on heuristic algorithms such as the greedy algorithm where locally optimal decisions are made at each node. Such algorithms cannot guarantee to return the globally optimal decision tree. This can be mitigated by training multiple trees in an ensemble learner, where the features and samples are randomly sampled with replacement.
- There are concepts that are hard to learn because decision trees do not express them easily, such as XOR, parity or multiplexer problems.
- Decision tree learners create biased trees if some classes dominate. It is therefore recommended to balance the dataset prior to fitting with the decision tree.
Median absolute error
Mean absolute error (MAE)
In statistics, mean absolute error (MAE) is a measure of difference between two continuous variables. Assume X and Y are variables of paired observations that express the same phenomenon. Examples of Y versus X include comparisons of predicted versus observed, subsequent time versus initial time, and one technique of measurement versus an alternative technique of measurement. Consider a scatter plot of n points, where point i has coordinates (xi, yi)... Mean Absolute Error (MAE) is the average vertical distance between each point and the identity line. MAE is also the average horizontal distance between each point and the identity line.
The Mean Absolute Error is given by:
Mean squared error (MSE)
In statistics, the mean squared error (MSE) or mean squared deviation (MSD) of an estimator (of a procedure for estimating an unobserved quantity) measures the average of the squares of the errors—that is, the average squared difference between the estimated values and what is estimated. MSE is a risk function, corresponding to the expected value of the squared error loss. The fact that MSE is almost always strictly positive (and not zero) is because of randomness or because the estimator does not account for information that could produce a more accurate estimate.
The MSE is a measure of the quality of an estimator—it is always non-negative, and values closer to zero are better.
The MSE is the second moment (about the origin) of the error, and thus incorporates both the variance of the estimator (how widely spread the estimates are from one data sample to another) and its bias (how far off the average estimated value is from the truth). For an unbiased estimator, the MSE is the variance of the estimator. Like the variance, MSE has the same units of measurement as the square of the quantity being estimated. In an analogy to standard deviation, taking the square root of MSE yields the root-mean-square error or root-mean-square deviation (RMSE or RMSD), which has the same units as the quantity being estimated; for an unbiased estimator, the RMSE is the square root of the variance, known as the standard error.
If Y_hat is a vector of n predictions generated from a sample of n data points on all variables, and Y is the vector of observed values of the variable being predicted, then the within-sample MSE of the predictor is computed as
Mean squared log error (MSLE)
MSLE is usually used when you don't want to penalize huge differences in the predicted and true values when both predicted and true values are huge numbers.
Coefficient of Determination (R2)
In statistics, the coefficient of determination, denoted R2 or r2 and pronounced "R squared", is the proportion of the variance in the dependent variable that is predictable from the independent variable(s).
It is a statistic used in the context of statistical models whose main purpose is either the prediction of future outcomes or the testing of hypotheses, on the basis of other related information. It provides a measure of how well observed outcomes are replicated by the model, based on the proportion of total variation of outcomes explained by the model
There are several definitions of R2 that are only sometimes equivalent. One class of such cases includes that of simple linear regression where r2 is used instead of R2. When an intercept is included, then r2 is simply the square of the sample correlation coefficient (i.e., r) between the observed outcomes and the observed predictor values. If additional regressors are included, R2 is the square of the coefficient of multiple correlation. In both such cases, the coefficient of determination ranges from 0 to 1.
Mean absolute scaled error (MASE)
In statistics, the mean absolute scaled error (MASE) is a measure of the accuracy of forecasts . It was proposed in 2005 by statistician Rob J. Hyndman and Professor of Decision Sciences Anne B. Koehler, who described it as a "generally applicable measurement of forecast accuracy without the problems seen in the other measurements." The mean absolute scaled error has favorable properties when compared to other methods for calculating forecast errors, such as root-mean-square-deviation, and is therefore recommended for determining comparative accuracy of forecasts.
For a non-seasonal time series, the mean absolute scaled error is estimated by
Mean directional accuracy (MDA)
Mean Directional Accuracy (MDA), also known as Mean Direction Accuracy, is a measure of prediction accuracy of a forecasting method in statistics. It compares the forecast direction (upward or downward) to the actual realized direction. It is defined by the following formula