# compute the gaussian kernel between each row of X1 and each row of X2 # should be done more efficiently gausskernel <- function(X1, X2, sigma2) { n1 <- dim(X1)[1] n2 <- dim(X2)[1] K <- matrix(nrow = n1, ncol = n2) for(i in 1:n1) for(j in 1:n2) K[i,j] <- sum(X1[i,] - X2[j,])^2 K <- exp(-1*K/sigma2) } # Nystroem Approximation Kernel Ridge Regression nakr <- function(X, y, sigma2=NULL, lambdas=NULL, splidx=NULL, nspl=NULL) { X <- as.matrix(X) n <- nrow(X) p <- ncol(X) if(is.null(lambdas)) { lambdas <- 10^seq(-8, 2,by=0.5) } if(is.null(sigma2)) { sigma2 <- p } if(is.null(splidx)) { if(is.null(nspl)) { nspl <- round(sqrt(n)) } splidx <- sample(1:n, nspl, replace = FALSE) } else { nspl <- length(splidx) } splidx <- sort(splidx) X <- scale(X) y <- scale(y) C <- gausskernel(X, as.matrix(X[splidx,]), sigma2) K11 <- C[splidx,] svdK11 <- svd(K11) # K11 will often be ill-formed, thus we drop the bottom singular values k <- 0.8 * nspl US <- svdK11$u[,1:k] %*% diag(1 / sqrt(svdK11$d[1:k])) L <- C %*% US LtL <- t(L) %*% L looe <- double(length(lambdas)) coef <- matrix(data = NA, nrow = n, ncol = length(lambdas)) i <- 1 for(lambda in lambdas) { Ginv <- LtL diag(Ginv) <- diag(Ginv) + lambda Ginv <- solve(Ginv) Ginv <- L %*% Ginv %*% t(L) Ginv <- - Ginv / lambda diag(Ginv) <- diag(Ginv) + (1/lambda) coef[,i] <- Ginv %*% y looe[i] <- mean((coef[,i]/diag(Ginv))^2) i <- i+1 } looe.min <- min(looe) lambda <- lambdas[which(looe == looe.min)] coef <- coef[,which(looe == looe.min)] r <- list(X=X, y=y, sigma2=sigma2, coef=coef, looe=looe.min, lambda=lambda ) class(r) <- "nakr" return(r) } predict.nakr <- function(o, newdata) { if(class(o) != "nakr") { warning("Object is not of class 'nakr'") UseMethod("predict") return(invisible(NULL)) } newdata <- as.matrix(newdata) if(ncol(o$X)!=ncol(newdata)) { stop("Not the same number of variables btwn fitted nakr object and new data") } newdata <- scale(newdata,center=attr(o$X,"scaled:center"), scale=attr(o$X,"scaled:scale")) Ktest <- gausskernel(newdata, o$X, o$sigma2) yh <- Ktest %*% o$coef yh <- (yh * attr(o$y,"scaled:scale")) + attr(o$y,"scaled:center") }