Package 'L0Learn'

Title: Fast Algorithms for Best Subset Selection
Description: Highly optimized toolkit for approximately solving L0-regularized learning problems (a.k.a. best subset selection). The algorithms are based on coordinate descent and local combinatorial search. For more details, check the paper by Hazimeh and Mazumder (2020) <doi:10.1287/opre.2019.1919>.
Authors: Hussein Hazimeh [aut, cre], Rahul Mazumder [aut], Tim Nonet [aut]
Maintainer: Hussein Hazimeh <[email protected]>
License: MIT + file LICENSE
Version: 2.1.0
Built: 2024-09-29 06:45:44 UTC
Source: CRAN

Help Index


A package for L0-regularized learning

Description

L0Learn fits regularization paths for L0-regularized regression and classification problems. Specifically, it can solve either one of the following problems over a grid of λ\lambda and γ\gamma values:

minβ0,βi=1n(yi,β0+xi,β)+λβ0(L0)\min_{\beta_0, \beta} \sum_{i=1}^{n} \ell(y_i, \beta_0+ \langle x_i, \beta \rangle) + \lambda ||\beta||_0 \quad \quad (L0)

minβ0,βi=1n(yi,β0+xi,β)+λβ0+γβ1(L0L1)\min_{\beta_0, \beta} \sum_{i=1}^{n} \ell(y_i, \beta_0+ \langle x_i, \beta \rangle) + \lambda ||\beta||_0 + \gamma||\beta||_1 \quad (L0L1)

minβ0,βi=1n(yi,β0+xi,β)+λβ0+γβ22(L0L2)\min_{\beta_0, \beta} \sum_{i=1}^{n} \ell(y_i, \beta_0+ \langle x_i, \beta \rangle) + \lambda ||\beta||_0 + \gamma||\beta||_2^2 \quad (L0L2)

where \ell is the loss function. We currently support regression using squared error loss and classification using either logistic loss or squared hinge loss. Pathwise optimization can be done using either cyclic coordinate descent (CD) or local combinatorial search. The core of the toolkit is implemented in C++ and employs many computational tricks and heuristics, leading to competitive running times. CD runs very fast and typically leads to relatively good solutions. Local combinatorial search can find higher-quality solutions (at the expense of increased running times). The toolkit has the following six main methods:

  • L0Learn.fit: Fits an L0-regularized model.

  • L0Learn.cvfit: Performs k-fold cross-validation.

  • print: Prints a summary of the path.

  • coef: Extracts solutions(s) from the path.

  • predict: Predicts response using a solution in the path.

  • plot: Plots the regularization path or cross-validation error.

References

Hazimeh and Mazumder. Fast Best Subset Selection: Coordinate Descent and Local Combinatorial Optimization Algorithms. Operations Research (2020). https://pubsonline.informs.org/doi/10.1287/opre.2019.1919.


Extract Solutions

Description

Extracts a specific solution in the regularization path.

Usage

## S3 method for class 'L0Learn'
coef(object, lambda = NULL, gamma = NULL, ...)

## S3 method for class 'L0LearnCV'
coef(object, lambda = NULL, gamma = NULL, ...)

Arguments

object

The output of L0Learn.fit or L0Learn.cvfit

lambda

The value of lambda at which to extract the solution.

gamma

The value of gamma at which to extract the solution.

...

ignore

Value

A sparse Matrix of class dgCMatrix, which contains the model coefficients. If both lambda and gamma are not supplied, then a matrix of coefficients for all the solutions in the regularization path is returned. If lambda is supplied but gamma is not, the smallest value of gamma is used.

Examples

# Generate synthetic data for this example
data <- GenSynthetic(n=100,p=20,k=10,seed=1)
X = data$X
y = data$y

# Fit an L0L2 Model with 3 values of Gamma ranging from 0.0001 to 10, using coordinate descent
fit <- L0Learn.fit(X, y, penalty="L0L2", nGamma=3, gammaMin=0.0001, gammaMax = 10)
print(fit)
# Extract the coefficients of the solution at lambda = 2.45513e-02 and gamma = 0.0001
coef(fit, lambda=2.45513e-02, gamma=0.0001)
# Extract the coefficients of all the solutions in the path
coef(fit)

Generate Synthetic Data

Description

Generates a synthetic dataset as follows: 1) Sample every element in data matrix X from N(0,1). 2) Generate a vector B with the first k entries set to 1 and the rest are zeros. 3) Sample every element in the noise vector e from N(0,1). 4) Set y = XB + b0 + e.

Usage

GenSynthetic(n, p, k, seed, rho = 0, b0 = 0, snr = 1)

Arguments

n

Number of samples

p

Number of features

k

Number of non-zeros in true vector of coefficients

seed

The seed used for randomly generating the data

rho

The threshold for setting values to 0. if |X(i, j)| > rho => X(i, j) <- 0

b0

intercept value to translate y by.

snr

desired Signal-to-Noise ratio. This sets the magnitude of the error term 'e'. SNR is defined as SNR = Var(XB)/Var(e)

Value

A list containing: the data matrix X, the response vector y, the coefficients B, the error vector e, the intercept term b0.

Examples

data <- GenSynthetic(n=100,p=20,k=10,seed=1)
X = data$X
y = data$y

Generate Exponential Correlated Synthetic Data

Description

Generates a synthetic dataset as follows: 1) Generate a correlation matrix, SIG, where item [i, j] = A^|i-j|. 2) Draw from a Multivariate Normal Distribution using (mu and SIG) to generate X. 3) Generate a vector B with every ~p/k entry set to 1 and the rest are zeros. 4) Sample every element in the noise vector e from N(0,1). 4) Set y = XB + b0 + e.

Usage

GenSyntheticHighCorr(
  n,
  p,
  k,
  seed,
  rho = 0,
  b0 = 0,
  snr = 1,
  mu = 0,
  base_cor = 0.9
)

Arguments

n

Number of samples

p

Number of features

k

Number of non-zeros in true vector of coefficients

seed

The seed used for randomly generating the data

rho

The threshold for setting values to 0. if |X(i, j)| > rho => X(i, j) <- 0

b0

intercept value to scale y by.

snr

desired Signal-to-Noise ratio. This sets the magnitude of the error term 'e'. SNR is defined as SNR = Var(XB)/Var(e)

mu

The mean for drawing from the Multivariate Normal Distribution. A scalar of vector of length p.

base_cor

The base correlation, A in [i, j] = A^|i-j|.

Value

A list containing: the data matrix X, the response vector y, the coefficients B, the error vector e, the intercept term b0.


Generate Logistic Synthetic Data

Description

Generates a synthetic dataset as follows: 1) Generate a data matrix, X, drawn from a multivariate Gaussian distribution with mean = 0, sigma = Sigma 2) Generate a vector B with k entries set to 1 and the rest are zeros. 3) Every coordinate yi of the outcome vector y exists in -1, 1^n is sampled independently from a Bernoulli distribution with success probability: P(yi = 1|xi) = 1/(1 + exp(-s<xi, B>)) Source https://arxiv.org/pdf/2001.06471.pdf Section 5.1 Data Generation

Usage

GenSyntheticLogistic(
  n,
  p,
  k,
  seed,
  rho = 0,
  s = 1,
  sigma = NULL,
  shuffle_B = FALSE
)

Arguments

n

Number of samples

p

Number of features

k

Number of non-zeros in true vector of coefficients

seed

The seed used for randomly generating the data

rho

The threshold for setting values to 0. if |X(i, j)| > rho => X(i, j) <- 0

s

Signal-to-noise parameter. As s -> +Inf, the data generated becomes linearly separable.

sigma

Correlation matrix, defaults to I.

shuffle_B

A boolean flag for whether or not to randomly shuffle the Beta vector, B. If FALSE, the first k entries in B are set to 1.

Value

A list containing: the data matrix X, the response vector y, the coefficients B.


Cross Validation

Description

Computes a regularization path and performs K-fold cross-validation.

Usage

L0Learn.cvfit(
  x,
  y,
  loss = "SquaredError",
  penalty = "L0",
  algorithm = "CD",
  maxSuppSize = 100,
  nLambda = 100,
  nGamma = 10,
  gammaMax = 10,
  gammaMin = 1e-04,
  partialSort = TRUE,
  maxIters = 200,
  rtol = 1e-06,
  atol = 1e-09,
  activeSet = TRUE,
  activeSetNum = 3,
  maxSwaps = 100,
  scaleDownFactor = 0.8,
  screenSize = 1000,
  autoLambda = NULL,
  lambdaGrid = list(),
  nFolds = 10,
  seed = 1,
  excludeFirstK = 0,
  intercept = TRUE,
  lows = -Inf,
  highs = Inf
)

Arguments

x

The data matrix.

y

The response vector. For classification, we only support binary vectors.

loss

The loss function. Currently we support the choices "SquaredError" (for regression), "Logistic" (for logistic regression), and "SquaredHinge" (for smooth SVM).

penalty

The type of regularization. This can take either one of the following choices: "L0", "L0L2", and "L0L1".

algorithm

The type of algorithm used to minimize the objective function. Currently "CD" and "CDPSI" are are supported. "CD" is a variant of cyclic coordinate descent and runs very fast. "CDPSI" performs local combinatorial search on top of CD and typically achieves higher quality solutions (at the expense of increased running time).

maxSuppSize

The maximum support size at which to terminate the regularization path. We recommend setting this to a small fraction of min(n,p) (e.g. 0.05 * min(n,p)) as L0 regularization typically selects a small portion of non-zeros.

nLambda

The number of Lambda values to select (recall that Lambda is the regularization parameter corresponding to the L0 norm). This value is ignored if 'lambdaGrid' is supplied.

nGamma

The number of Gamma values to select (recall that Gamma is the regularization parameter corresponding to L1 or L2, depending on the chosen penalty). This value is ignored if 'lambdaGrid' is supplied and will be set to length(lambdaGrid)

gammaMax

The maximum value of Gamma when using the L0L2 penalty. For the L0L1 penalty this is automatically selected.

gammaMin

The minimum value of Gamma when using the L0L2 penalty. For the L0L1 penalty, the minimum value of gamma in the grid is set to gammaMin * gammaMax. Note that this should be a strictly positive quantity.

partialSort

If TRUE partial sorting will be used for sorting the coordinates to do greedy cycling (see our paper for for details). Otherwise, full sorting is used.

maxIters

The maximum number of iterations (full cycles) for CD per grid point.

rtol

The relative tolerance which decides when to terminate optimization (based on the relative change in the objective between iterations).

atol

The absolute tolerance which decides when to terminate optimization (based on the absolute L2 norm of the residuals).

activeSet

If TRUE, performs active set updates.

activeSetNum

The number of consecutive times a support should appear before declaring support stabilization.

maxSwaps

The maximum number of swaps used by CDPSI for each grid point.

scaleDownFactor

This parameter decides how close the selected Lambda values are. The choice should be strictly between 0 and 1 (i.e., 0 and 1 are not allowed). Larger values lead to closer lambdas and typically to smaller gaps between the support sizes. For details, see our paper - Section 5 on Adaptive Selection of Tuning Parameters).

screenSize

The number of coordinates to cycle over when performing initial correlation screening.

autoLambda

Ignored parameter. Kept for backwards compatibility.

lambdaGrid

A grid of Lambda values to use in computing the regularization path. This is by default an empty list and is ignored. When specified, LambdaGrid should be a list of length 'nGamma', where the ith element (corresponding to the ith gamma) should be a decreasing sequence of lambda values which are used by the algorithm when fitting for the ith value of gamma (see the vignette for details).

nFolds

The number of folds for cross-validation.

seed

The seed used in randomly shuffling the data for cross-validation.

excludeFirstK

This parameter takes non-negative integers. The first excludeFirstK features in x will be excluded from variable selection, i.e., the first excludeFirstK variables will not be included in the L0-norm penalty (they will still be included in the L1 or L2 norm penalties.).

intercept

If FALSE, no intercept term is included in the model.

lows

Lower bounds for coefficients. Either a scalar for all coefficients to have the same bound or a vector of size p (number of columns of X) where lows[i] is the lower bound for coefficient i.

highs

Upper bounds for coefficients. Either a scalar for all coefficients to have the same bound or a vector of size p (number of columns of X) where highs[i] is the upper bound for coefficient i.

Value

An S3 object of type "L0LearnCV" describing the regularization path. The object has the following members.

cvMeans

This is a list, where the ith element is the sequence of cross-validation errors corresponding to the ith gamma value, i.e., the sequence cvMeans[[i]] corresponds to fit$gamma[i]

cvSDs

This a list, where the ith element is a sequence of standard deviations for the cross-validation errors: cvSDs[[i]] corresponds to cvMeans[[i]].

fit

The fitted model with type "L0Learn", i.e., this is the same object returned by L0Learn.fit.

Examples

# Generate synthetic data for this example
data <- GenSynthetic(n=100,p=20,k=10,seed=1)
X = data$X
y = data$y
#'
# Perform 3-fold cross-validation on an L0L2 regression model with 3 values of
# Gamma ranging from 0.0001 to 10
fit <- L0Learn.cvfit(X, y, nFolds=3, seed=1, penalty="L0L2", maxSuppSize=20, nGamma=3,
gammaMin=0.0001, gammaMax = 10)
print(fit)
# Plot the graph of cross-validation error versus lambda for gamma = 0.0001
plot(fit, gamma=0.0001)
# Extract the coefficients at lambda = 0.0361829 and gamma = 0.0001
coef(fit, lambda=2.45513e-02, gamma=0.0001)
# Apply the fitted model on X to predict the response
predict(fit, newx = X, lambda=2.45513e-02, gamma=0.0001)

Fit an L0-regularized model

Description

Computes the regularization path for the specified loss function and penalty function (which can be a combination of the L0, L1, and L2 norms).

Usage

L0Learn.fit(
  x,
  y,
  loss = "SquaredError",
  penalty = "L0",
  algorithm = "CD",
  maxSuppSize = 100,
  nLambda = 100,
  nGamma = 10,
  gammaMax = 10,
  gammaMin = 1e-04,
  partialSort = TRUE,
  maxIters = 200,
  rtol = 1e-06,
  atol = 1e-09,
  activeSet = TRUE,
  activeSetNum = 3,
  maxSwaps = 100,
  scaleDownFactor = 0.8,
  screenSize = 1000,
  autoLambda = NULL,
  lambdaGrid = list(),
  excludeFirstK = 0,
  intercept = TRUE,
  lows = -Inf,
  highs = Inf
)

Arguments

x

The data matrix.

y

The response vector. For classification, we only support binary vectors.

loss

The loss function. Currently we support the choices "SquaredError" (for regression), "Logistic" (for logistic regression), and "SquaredHinge" (for smooth SVM).

penalty

The type of regularization. This can take either one of the following choices: "L0", "L0L2", and "L0L1".

algorithm

The type of algorithm used to minimize the objective function. Currently "CD" and "CDPSI" are are supported. "CD" is a variant of cyclic coordinate descent and runs very fast. "CDPSI" performs local combinatorial search on top of CD and typically achieves higher quality solutions (at the expense of increased running time).

maxSuppSize

The maximum support size at which to terminate the regularization path. We recommend setting this to a small fraction of min(n,p) (e.g. 0.05 * min(n,p)) as L0 regularization typically selects a small portion of non-zeros.

nLambda

The number of Lambda values to select (recall that Lambda is the regularization parameter corresponding to the L0 norm). This value is ignored if 'lambdaGrid' is supplied.

nGamma

The number of Gamma values to select (recall that Gamma is the regularization parameter corresponding to L1 or L2, depending on the chosen penalty). This value is ignored if 'lambdaGrid' is supplied and will be set to length(lambdaGrid)

gammaMax

The maximum value of Gamma when using the L0L2 penalty. For the L0L1 penalty this is automatically selected.

gammaMin

The minimum value of Gamma when using the L0L2 penalty. For the L0L1 penalty, the minimum value of gamma in the grid is set to gammaMin * gammaMax. Note that this should be a strictly positive quantity.

partialSort

If TRUE partial sorting will be used for sorting the coordinates to do greedy cycling (see our paper for for details). Otherwise, full sorting is used.

maxIters

The maximum number of iterations (full cycles) for CD per grid point.

rtol

The relative tolerance which decides when to terminate optimization (based on the relative change in the objective between iterations).

atol

The absolute tolerance which decides when to terminate optimization (based on the absolute L2 norm of the residuals).

activeSet

If TRUE, performs active set updates.

activeSetNum

The number of consecutive times a support should appear before declaring support stabilization.

maxSwaps

The maximum number of swaps used by CDPSI for each grid point.

scaleDownFactor

This parameter decides how close the selected Lambda values are. The choice should be strictly between 0 and 1 (i.e., 0 and 1 are not allowed). Larger values lead to closer lambdas and typically to smaller gaps between the support sizes. For details, see our paper - Section 5 on Adaptive Selection of Tuning Parameters).

screenSize

The number of coordinates to cycle over when performing initial correlation screening.

autoLambda

Ignored parameter. Kept for backwards compatibility.

lambdaGrid

A grid of Lambda values to use in computing the regularization path. This is by default an empty list and is ignored. When specified, LambdaGrid should be a list of length 'nGamma', where the ith element (corresponding to the ith gamma) should be a decreasing sequence of lambda values which are used by the algorithm when fitting for the ith value of gamma (see the vignette for details).

excludeFirstK

This parameter takes non-negative integers. The first excludeFirstK features in x will be excluded from variable selection, i.e., the first excludeFirstK variables will not be included in the L0-norm penalty (they will still be included in the L1 or L2 norm penalties.).

intercept

If FALSE, no intercept term is included in the model.

lows

Lower bounds for coefficients. Either a scalar for all coefficients to have the same bound or a vector of size p (number of columns of X) where lows[i] is the lower bound for coefficient i.

highs

Upper bounds for coefficients. Either a scalar for all coefficients to have the same bound or a vector of size p (number of columns of X) where highs[i] is the upper bound for coefficient i.

Value

An S3 object of type "L0Learn" describing the regularization path. The object has the following members.

a0

a0 is a list of intercept sequences. The ith element of the list (i.e., a0[[i]]) is the sequence of intercepts corresponding to the ith gamma value (i.e., gamma[i]).

beta

This is a list of coefficient matrices. The ith element of the list is a p x length(lambda) matrix which corresponds to the ith gamma value. The jth column in each coefficient matrix is the vector of coefficients for the jth lambda value.

lambda

This is the list of lambda sequences used in fitting the model. The ith element of lambda (i.e., lambda[[i]]) is the sequence of Lambda values corresponding to the ith gamma value.

gamma

This is the sequence of gamma values used in fitting the model.

suppSize

This is a list of support size sequences. The ith element of the list is a sequence of support sizes (i.e., number of non-zero coefficients) corresponding to the ith gamma value.

converged

This is a list of sequences for checking whether the algorithm has converged at every grid point. The ith element of the list is a sequence corresponding to the ith value of gamma, where the jth element in each sequence indicates whether the algorithm has converged at the jth value of lambda.

Examples

# Generate synthetic data for this example
data <- GenSynthetic(n=100,p=20,k=10,seed=1)
X = data$X
y = data$y

# Fit an L0 regression model with a maximum of 20 non-zeros using coordinate descent (CD)
fit1 <- L0Learn.fit(X, y, penalty="L0", maxSuppSize=20)
print(fit1)
# Extract the coefficients at lambda = 2.28552e-02
coef(fit1, lambda=2.28552e-02)
# Apply the fitted model on X to predict the response
predict(fit1, newx = X, lambda=2.28552e-02)

# Fit an L0 regression model with a maximum of 20 non-zeros using CD and local search
fit2 <- L0Learn.fit(X, y, penalty="L0", algorithm="CDPSI", maxSuppSize=20)
print(fit2)

# Fit an L0L2 regression model with 3 values of Gamma ranging from 0.0001 to 10, using CD
fit3 <- L0Learn.fit(X, y, penalty="L0L2", maxSuppSize=20, nGamma=3, gammaMin=0.0001, gammaMax = 10)
print(fit3)
# Extract the coefficients at lambda = 2.45513e-02 and gamma = 0.0001
coef(fit3, lambda=2.45513e-02, gamma=0.0001)
# Apply the fitted model on X to predict the response
predict(fit3, newx = X, lambda=2.45513e-02, gamma=0.0001)

# Fit an L0 logistic regression model
# First, convert the response to binary
y = sign(y)
fit4 <- L0Learn.fit(X, y, loss="Logistic", maxSuppSize=10)
print(fit4)

Plot Regularization Path

Description

Plots the regularization path for a given gamma.

Usage

## S3 method for class 'L0Learn'
plot(x, gamma = 0, showLines = FALSE, ...)

Arguments

x

The output of L0Learn.fit

gamma

The value of gamma at which to plot.

showLines

If TRUE, the lines connecting the points in the plot are shown.

...

ignore

Value

A ggplot object.

Examples

# Generate synthetic data for this example
data <- GenSynthetic(n=100,p=20,k=10,seed=1)
X = data$X
y = data$y
# Fit an L0 Model
fit <- L0Learn.fit(X, y, penalty="L0")
plot(fit, gamma=0)

Plot Cross-validation Errors

Description

Plots cross-validation errors for a given gamma.

Usage

## S3 method for class 'L0LearnCV'
plot(x, gamma = 0, ...)

Arguments

x

The output of L0Learn.cvfit

gamma

The value of gamma at which to plot.

...

ignore

Value

A ggplot object.

Examples

# Generate synthetic data for this example
data <- GenSynthetic(n=100,p=20,k=10,seed=1)
X = data$X
y = data$y

# Perform 3-fold cross-validation on an L0L2 Model with 3 values of
# Gamma ranging from 0.0001 to 10
fit <- L0Learn.cvfit(X, y, nFolds=3, seed=1, penalty="L0L2",
maxSuppSize=20, nGamma=3, gammaMin=0.0001, gammaMax = 10)
# Plot the graph of cross-validation error versus lambda for gamma = 0.0001
plot(fit, gamma=0.0001)

Predict Response

Description

Predicts the response for a given sample.

Usage

## S3 method for class 'L0Learn'
predict(object, newx, lambda = NULL, gamma = NULL, ...)

## S3 method for class 'L0LearnCV'
predict(object, newx, lambda = NULL, gamma = NULL, ...)

Arguments

object

The output of L0Learn.fit or L0Learn.cvfit

newx

A matrix on which predictions are made. The matrix should have p columns.

lambda

The value of lambda to use for prediction. A summary of the lambdas in the regularization path can be obtained using print(fit).

gamma

The value of gamma to use for prediction. A summary of the gammas in the regularization path can be obtained using print(fit).

...

ignore

Value

A Matrix of class dgeMatrix, which contains the model predictions. If both lambda and gamma are not supplied, then a matrix of predictions for all the solutions in the regularization path is returned. If lambda is supplied but gamma is not, the smallest value of gamma is used. In case of logistic regression, probability values are returned.

Examples

# Generate synthetic data for this example
data <- GenSynthetic(n=100,p=20,k=10,seed=1)
X = data$X
y = data$y

# Fit an L0L2 Model with 3 values of Gamma ranging from 0.0001 to 10, using coordinate descent
fit <- L0Learn.fit(X,y, penalty="L0L2", nGamma=3, gammaMin=0.0001, gammaMax = 10)
print(fit)
# Apply the fitted model with lambda=2.45513e-02 and gamma=0.0001 on X to predict the response
predict(fit, newx = X, lambda=2.45513e-02, gamma=0.0001)
# Apply the fitted model on X to predict the response for all the solutions in the path
predict(fit, newx = X)

Print L0Learn.fit object

Description

Prints a summary of L0Learn.fit

Usage

## S3 method for class 'L0Learn'
print(x, ...)

## S3 method for class 'L0LearnCV'
print(x, ...)

Arguments

x

The output of L0Learn.fit or L0Learn.cvfit

...

ignore

Value

Prints a summary of the models to the console.