knitr::opts_chunk$set( collapse = TRUE, comment = "#>", fig.width = 7, fig.height = 4 )
Sparse penalties such as the Lasso treat all predictors symmetrically: coefficients are shrunk independently without any notion of which predictors are related. In many applications, however, the signal has a known structure — predictors are grouped, ordered, or connected through a graph — and penalties that exploit this structure can substantially improve estimation.
This vignette builds a progressively richer family of penalties on a single simulation, showing how incorporating structural knowledge step by step leads to better coefficient recovery.
library(quadrupen) library(Matrix) library(ggplot2)
We simulate a linear model with $p = 95$ predictors and $n = 50$ observations. The true coefficient vector $\beta$ is piecewise constant: it is zero over three large segments (sizes 25, 25, 25) and takes values $+1$ and $-1$ over two smaller active blocks (sizes 10 each).
set.seed(42) p <- 95 n <- 50 beta <- rep(c(0, 1, 0, -1, 0), c(25, 10, 25, 10, 25)) ## Block-correlated predictors: high within-segment, zero across segments rho <- 0.75 Soo <- toeplitz(rho^(0:24)) # Toeplitz correlation within zero segments Sww <- matrix(rho, 10, 10) # constant correlation within active segments Sigma <- bdiag(Soo, Sww, Soo, Sww, Soo) diag(Sigma) <- 1 X <- as.matrix(matrix(rnorm(p * n), n, p) %*% chol(Sigma)) y <- X %*% beta + rnorm(n, 0, 10) ## Segment labels (for plot legends) segments <- rep(1:5, c(25, 10, 25, 10, 25)) segment_names <- paste0("seg", 1:5) seg_labels <- segment_names[segments]
The five segments are clearly visible in the true signal:
data.frame(index = seq_along(beta), beta = beta, segment = seg_labels) |> ggplot(aes(x = index, y = beta, colour = segment)) + geom_step() + geom_hline(yintercept = 0, linetype = "dashed", alpha = 0.4) + labs(x = "Predictor index", y = expression(beta), title = "True coefficient vector") + theme_bw()
The structural prior we wish to encode is: predictors within the same segment should have similar coefficients. This is captured by a community graph whose edges connect all pairs of predictors belonging to the same segment (a union of disjoint cliques).
## Adjacency matrix: clique within each segment, no edges across Ioo <- matrix(1, 25, 25) Iww <- matrix(1, 10, 10) A <- as.matrix(bdiag(Ioo, Iww, Ioo, Iww, Ioo)) diag(A) <- 0 ## Graph Laplacian: L = D - A (regularized for positive definiteness) L2 <- -A diag(L2) <- colSums(A) + 1e-2
The Laplacian $L_2$ defines the quadratic form
$$\beta^\top L_2\, \beta = \sum_{(i,j)\in E} (\beta_i - \beta_j)^2,$$
which penalizes differences between connected predictors. Adding $\lambda_2 \beta^\top L_2 \beta / 2$ to the loss therefore encourages within-segment coefficients to be equal — a perfect match for the piecewise-constant signal. Note that $L_2$ is passed as the struct argument to ridge() and elastic_net().
For the Fused Lasso, the graph structure is encoded differently: struct takes the adjacency matrix $A$ directly, since the fusion penalty is
$$\lambda_2 \sum_{(i,j)\in E} |\beta_i - \beta_j|,$$
an $\ell_1$ (not $\ell_2$) penalty on pairwise differences. The graph topology is the same, but the penalty form differs.
if (requireNamespace("igraph", quietly = TRUE)) { g <- igraph::graph_from_adjacency_matrix(A, mode = "undirected") cols <- c("#E69F00", "#56B4E9", "#009E73", "#F0E442", "#CC79A7") vertex_colors <- cols[segments] igraph::plot.igraph( g, vertex.color = vertex_colors, vertex.size = 3, vertex.label = NA, edge.width = 0.1, main = "Community graph (colour = segment)" ) legend("topleft", legend = segment_names, fill = cols, bty = "n", cex = 0.8) }
The Lasso applies an element-wise $\ell_1$ penalty and treats all predictors independently. With highly correlated predictors it tends to select one representative per block arbitrarily, producing an erratic path.
fit_lasso <- lasso(X, y, intercept = FALSE) fit_lasso
fit_lasso$plot_path(labels = seg_labels)
The Fused Lasso adds an $\ell_1$ penalty on differences between adjacent coefficients on top of the standard $\ell_1$ penalty:
$$\min_\beta \frac{1}{2}\|y - X\beta\|^2 + \lambda_1 \|\beta\|1 + \lambda_2 \sum{i=1}^{p-1} |\beta_{i+1} - \beta_i|.$$
By default, fused_lasso() uses a chain graph (consecutive pairs), which is appropriate for ordered or spatial signals.
fit_fused_chain <- fused_lasso(X, y, lambda2 = 5, intercept = FALSE) fit_fused_chain
fit_fused_chain$plot_path(labels = seg_labels)
Replacing the chain by the community adjacency matrix $A$ fuses predictors within the same segment rather than consecutive ones. This directly targets the true block structure of $\beta$.
fit_fused_comm <- fused_lasso(X, y, lambda2 = 5, struct = A, intercept = FALSE) fit_fused_comm
fit_fused_comm$plot_path(labels = seg_labels)
The standard ridge regression shrinks all coefficients toward zero. The structured ridge replaces the identity by a positive semidefinite matrix $S$:
$$\min_\beta \frac{1}{2}\|y - X\beta\|^2 + \frac{\lambda_2}{2}\, \beta^\top S\, \beta.$$
With $S = L_2$ (the community Laplacian), the penalty becomes $\frac{\lambda_2}{2}\beta^\top L_2 \beta$, which shrinks within-segment differences rather than the coefficients themselves.
fit_ridge_std <- ridge(X, y, intercept = FALSE) fit_ridge_std$plot_path(labels = seg_labels)
The path is a blur: all predictors are shrunk toward zero with no differentiation between segments.
fit_ridge_struct <- ridge(X, y, struct = L2, lambda_max = 1000, intercept = FALSE) fit_ridge_struct$plot_path(labels = seg_labels)
The Laplacian prior forces coefficients within the same segment to track each other. The two active segments (2 and 4) now emerge as coherent bundles.
The Elastic-net combines an $\ell_1$ penalty with a quadratic penalty:
$$\min_\beta \frac{1}{2}\|y - X\beta\|^2 + \lambda_1\|\beta\|_1 + \frac{\lambda_2}{2}\, \beta^\top S\, \beta.$$
Setting $S = L_2$ yields the structured Elastic-net: the $\ell_1$ term drives entire segments to zero (sparsity at the segment level), while the Laplacian term forces the non-zero segments to be internally smooth.
fit_enet_struct <- elastic_net(X, y, lambda2 = 5, struct = L2, intercept = FALSE) fit_enet_struct
fit_enet_struct$plot_path(labels = seg_labels)
The two active segments now enter the path as well-separated, near-constant bundles while the three zero segments stay at zero.
The $\ell_1$ penalty introduces shrinkage bias. Refitting the model on the selected support without penalization recovers near-unbiased estimates.
fit_enet_struct$debias <- TRUE fit_enet_struct$plot_path(labels = seg_labels) fit_enet_struct$debias <- FALSE
We extract the BIC-selected coefficient vector for each method and compare visually against the true $\beta$.
methods <- list( "Lasso" = fit_lasso, "Fused Lasso (chain)" = fit_fused_chain, "Fused Lasso (community)"= fit_fused_comm, "Ridge (standard)" = fit_ridge_std, "Ridge (structured)" = fit_ridge_struct, "Elastic-net (structured)"= fit_enet_struct ) extract_coef <- function(fit) { b <- fit$get_model("BIC") if ("Intercept" %in% names(b)) b <- b[-1] # drop intercept b } df_coef <- do.call(rbind, lapply(names(methods), function(nm) { b <- extract_coef(methods[[nm]]) data.frame( method = factor(nm, levels = names(methods)), index = seq_along(b), value = as.numeric(b), segment = seg_labels ) })) df_true <- data.frame( index = seq_along(beta), beta = beta, segment = seg_labels )
## Background shading for each segment seg_bounds <- data.frame( xmin = c(1, 26, 36, 61, 71), xmax = c(25, 35, 60, 70, 95), fill = factor(1:5) ) ggplot(df_coef, aes(x = index, y = value)) + geom_rect(data = seg_bounds, aes(xmin = xmin, xmax = xmax, ymin = -Inf, ymax = Inf, fill = fill), alpha = 0.08, inherit.aes = FALSE) + scale_fill_manual(values = c("#E69F00","#56B4E9","#009E73","#F0E442","#CC79A7"), guide = "none") + geom_hline(yintercept = 0, linetype = "dashed", alpha = 0.3) + geom_step(data = df_true, aes(y = beta), colour = "black", linewidth = 0.8, linetype = "dashed") + geom_point(aes(colour = segment), size = 0.8, alpha = 0.7) + scale_colour_manual(values = c("#E69F00","#56B4E9","#009E73","#F0E442","#CC79A7")) + facet_wrap(~ method, ncol = 2) + labs(x = "Predictor index", y = "Estimated coefficient", title = "Coefficient recovery by method", subtitle = "Dashed line: true beta", colour = "Segment") + theme_bw() + theme(legend.position = "bottom")
The progression illustrates the benefit of structural priors:
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