X-Git-Url: https://git.auder.net/?p=morpheus.git;a=blobdiff_plain;f=pkg%2FR%2FoptimParams.R;h=039070c5280b847af077056b2cfcc89b6c73b589;hp=4f886ac3fbd60139c8350e2222cb382c791b49d0;hb=2591fa8343c69ddb94dec5e55871d34c55eff9a3;hpb=98b8a5ddffdce7e0b63746d4b58bb923049dca7d diff --git a/pkg/R/optimParams.R b/pkg/R/optimParams.R index 4f886ac..039070c 100644 --- a/pkg/R/optimParams.R +++ b/pkg/R/optimParams.R @@ -1,17 +1,9 @@ -#' Optimize parameters -#' -#' Optimize the parameters of a mixture of logistic regressions model, possibly using -#' \code{mu <- computeMu(...)} as a partial starting point. +#' Wrapper function for OptimParams class #' #' @param K Number of populations. #' @param link The link type, 'logit' or 'probit'. -#' @param optargs a list with optional arguments: -#' \itemize{ -#' \item 'M' : list of moments of order 1,2,3: will be computed if not provided. -#' \item 'X,Y' : input/output, mandatory if moments not given -#' \item 'exact': use exact formulas when available? -#' \item weights Weights on moments when minimizing sum of squares -#' } +#' @param X Data matrix of covariables +#' @param Y Output as a binary vector #' #' @return An object 'op' of class OptimParams, initialized so that \code{op$run(x0)} #' outputs the list of optimized parameters @@ -20,8 +12,8 @@ #' \item β: regression matrix, size dxK #' \item b: intercepts, size K #' } -#' x0 is a vector containing respectively the K-1 first elements of p, then β by -#' columns, and finally b: \code{x0 = c(p[1:(K-1)],as.double(β),b)}. +#' θ0 is a vector containing respectively the K-1 first elements of p, then β by +#' columns, and finally b: \code{θ0 = c(p[1:(K-1)],as.double(β),b)}. #' #' @seealso \code{multiRun} to estimate statistics based on β, and #' \code{generateSampleIO} for I/O random generation. @@ -30,228 +22,276 @@ #' # Optimize parameters from estimated μ #' io = generateSampleIO(10000, 1/2, matrix(c(1,-2,3,1),ncol=2), c(0,0), "logit") #' μ = computeMu(io$X, io$Y, list(K=2)) -#' M <- computeMoments(io$X, io$Y) -#' o <- optimParams(2, "logit", list(M=M)) -#' x0 <- c(1/2, as.double(μ), c(0,0)) -#' par0 <- o$run(x0) +#' o <- optimParams(io$X, io$Y, 2, "logit") +#' θ0 <- list(p=1/2, β=μ, b=c(0,0)) +#' par0 <- o$run(θ0) #' # Compare with another starting point -#' x1 <- c(1/2, 2*as.double(μ), c(0,0)) -#' par1 <- o$run(x1) +#' θ1 <- list(p=1/2, β=2*μ, b=c(0,0)) +#' par1 <- o$run(θ1) #' o$f( o$linArgs(par0) ) #' o$f( o$linArgs(par1) ) #' @export -optimParams = function(K, link=c("logit","probit"), optargs=list()) +optimParams <- function(X, Y, K, link=c("logit","probit"), M=NULL) { - # Check arguments - link <- match.arg(link) - if (!is.list(optargs)) - stop("optargs: list") - if (!is.numeric(K) || K < 2) - stop("K: integer >= 2") - - M <- optargs$M - if (is.null(M)) - { - if (is.null(optargs$X) || is.null(optargs$Y)) - stop("If moments are not provided, X and Y are required") - M <- computeMoments(optargs$X,optargs$Y) - } - - weights <- optargs$weights - if (is.null(weights)) - weights <- rep(1, K) - - # Build and return optimization algorithm object - methods::new("OptimParams", "li"=link, "M1"=as.double(M[[1]]), - "M2"=as.double(M[[2]]), "M3"=as.double(M[[3]]), - "weights"=weights, "K"=as.integer(K)) + # Check arguments + if (!is.matrix(X) || any(is.na(X))) + stop("X: numeric matrix, no NAs") + if (!is.numeric(Y) || any(is.na(Y)) || any(Y!=0 & Y!=1)) + stop("Y: binary vector with 0 and 1 only") + link <- match.arg(link) + if (!is.numeric(K) || K!=floor(K) || K < 2) + stop("K: integer >= 2") + + if (is.null(M)) + { + # Precompute empirical moments + Mtmp <- computeMoments(X, Y) + M1 <- as.double(Mtmp[[1]]) + M2 <- as.double(Mtmp[[2]]) + M3 <- as.double(Mtmp[[3]]) + M <- c(M1, M2, M3) + } + else + M <- c(M[[1]], M[[2]], M[[3]]) + + # Build and return optimization algorithm object + methods::new("OptimParams", "li"=link, "X"=X, + "Y"=as.integer(Y), "K"=as.integer(K), "Mhat"=as.double(M)) } -# Encapsulated optimization for p (proportions), β and b (regression parameters) -# -# @field li Link, 'logit' or 'probit' -# @field M1 Estimated first-order moment -# @field M2 Estimated second-order moment (flattened) -# @field M3 Estimated third-order moment (flattened) -# @field weights Vector of moments' weights -# @field K Number of populations -# @field d Number of dimensions -# +#' Encapsulated optimization for p (proportions), β and b (regression parameters) +#' +#' Optimize the parameters of a mixture of logistic regressions model, possibly using +#' \code{mu <- computeMu(...)} as a partial starting point. +#' +#' @field li Link function, 'logit' or 'probit' +#' @field X Data matrix of covariables +#' @field Y Output as a binary vector +#' @field K Number of populations +#' @field d Number of dimensions +#' @field W Weights matrix (iteratively refined) +#' setRefClass( - Class = "OptimParams", - - fields = list( - # Inputs - li = "character", #link 'logit' or 'probit' - M1 = "numeric", #order-1 moment (vector size d) - M2 = "numeric", #M2 easier to process as a vector - M3 = "numeric", #M3 easier to process as a vector - # Dimensions - K = "integer", - d = "integer" - ), - - methods = list( - initialize = function(...) - { - "Check args and initialize K, d" - - callSuper(...) - if (!hasArg("li") || !hasArg("M1") || !hasArg("M2") || !hasArg("M3") - || !hasArg("K")) - { - stop("Missing arguments") - } - - d <<- length(M1) - }, - - expArgs = function(x) - { - "Expand individual arguments from vector x" - - list( - # p: dimension K-1, need to be completed - "p" = c(x[1:(K-1)], 1-sum(x[1:(K-1)])), - "β" = matrix(x[K:(K+d*K-1)], ncol=K), - "b" = x[(K+d*K):(K+(d+1)*K-1)]) - }, - - linArgs = function(o) - { - " Linearize vectors+matrices into a vector x" - - c(o$p[1:(K-1)], as.double(o$β), o$b) - }, - - f = function(x) - { - "Sum of squares (Mi - hat_Mi)^2 where Mi is obtained from formula" - - P <- expArgs(x) - p <- P$p - β <- P$β - λ <- sqrt(colSums(β^2)) - b <- P$b - - # Tensorial products β^2 = β2 and β^3 = β3 must be computed from current β1 - β2 <- apply(β, 2, function(col) col %o% col) - β3 <- apply(β, 2, function(col) col %o% col %o% col) - - return( - weights[1] * sum( ( β %*% (p * .G(li,1,λ,b)) - M1 )^2 ) + - weights[2] * sum( ( β2 %*% (p * .G(li,2,λ,b)) - M2 )^2 ) + - weights[3] * sum( ( β3 %*% (p * .G(li,3,λ,b)) - M3 )^2 ) ) - }, - - grad_f = function(x) - { - "Gradient of f, dimension (K-1) + d*K + K = (d+2)*K - 1" - - P <- expArgs(x) - p <- P$p - β <- P$β - λ <- sqrt(colSums(β^2)) - μ <- sweep(β, 2, λ, '/') - b <- P$b - - # Tensorial products β^2 = β2 and β^3 = β3 must be computed from current β1 - β2 <- apply(β, 2, function(col) col %o% col) - β3 <- apply(β, 2, function(col) col %o% col %o% col) - - # Some precomputations - G1 = .G(li,1,λ,b) - G2 = .G(li,2,λ,b) - G3 = .G(li,3,λ,b) - G4 = .G(li,4,λ,b) - G5 = .G(li,5,λ,b) - - # (Mi - hat_Mi)^2 ' == (Mi - hat_Mi)' 2(Mi - hat_Mi) = Mi' Fi - F1 = as.double( 2 * ( β %*% (p * G1) - M1 ) ) - F2 = as.double( 2 * ( β2 %*% (p * G2) - M2 ) ) - F3 = as.double( 2 * ( β3 %*% (p * G3) - M3 ) ) - - km1 = 1:(K-1) - grad <- #gradient on p - weights[1] * t( sweep(as.matrix(β [,km1]), 2, G1[km1], '*') - G1[K] * β [,K] ) %*% F1 + - weights[2] * t( sweep(as.matrix(β2[,km1]), 2, G2[km1], '*') - G2[K] * β2[,K] ) %*% F2 + - weights[3] * t( sweep(as.matrix(β3[,km1]), 2, G3[km1], '*') - G3[K] * β3[,K] ) %*% F3 - - grad_β <- matrix(nrow=d, ncol=K) - for (i in 1:d) - { - # i determines the derivated matrix dβ[2,3] - - dβ_left <- sweep(β, 2, p * G3 * β[i,], '*') - dβ_right <- matrix(0, nrow=d, ncol=K) - block <- i - dβ_right[block,] <- dβ_right[block,] + 1 - dβ <- dβ_left + sweep(dβ_right, 2, p * G1, '*') - - dβ2_left <- sweep(β2, 2, p * G4 * β[i,], '*') - dβ2_right <- do.call( rbind, lapply(1:d, function(j) { - sweep(dβ_right, 2, β[j,], '*') - }) ) - block <- ((i-1)*d+1):(i*d) - dβ2_right[block,] <- dβ2_right[block,] + β - dβ2 <- dβ2_left + sweep(dβ2_right, 2, p * G2, '*') - - dβ3_left <- sweep(β3, 2, p * G5 * β[i,], '*') - dβ3_right <- do.call( rbind, lapply(1:d, function(j) { - sweep(dβ2_right, 2, β[j,], '*') - }) ) - block <- ((i-1)*d*d+1):(i*d*d) - dβ3_right[block,] <- dβ3_right[block,] + β2 - dβ3 <- dβ3_left + sweep(dβ3_right, 2, p * G3, '*') - - grad_β[i,] <- - weights[1] * t(dβ) %*% F1 + - weights[2] * t(dβ2) %*% F2 + - weights[3] * t(dβ3) %*% F3 - } - grad <- c(grad, as.double(grad_β)) - - grad = c(grad, #gradient on b - weights[1] * t( sweep(β, 2, p * G2, '*') ) %*% F1 + - weights[2] * t( sweep(β2, 2, p * G3, '*') ) %*% F2 + - weights[3] * t( sweep(β3, 2, p * G4, '*') ) %*% F3 ) - - grad - }, - - run = function(x0) - { - "Run optimization from x0 with solver..." - - if (!is.list(x0)) - stop("x0: list") - if (is.null(x0$β)) - stop("At least x0$β must be provided") - if (!is.matrix(x0$β) || any(is.na(x0$β)) || ncol(x0$β) != K) - stop("x0$β: matrix, no NA, ncol == K") - if (is.null(x0$p)) - x0$p = rep(1/K, K-1) - else if (length(x0$p) != K-1 || sum(x0$p) > 1) - stop("x0$p should contain positive integers and sum to < 1") - # Next test = heuristic to detect missing b (when matrix is called "beta") - if (is.null(x0$b) || all(x0$b == x0$β)) - x0$b = rep(0, K) - else if (any(is.na(x0$b))) - stop("x0$b cannot have missing values") - - op_res = constrOptim( linArgs(x0), .self$f, .self$grad_f, - ui=cbind( - rbind( rep(-1,K-1), diag(K-1) ), - matrix(0, nrow=K, ncol=(d+1)*K) ), - ci=c(-1,rep(0,K-1)) ) - - expArgs(op_res$par) - } - ) + Class = "OptimParams", + + fields = list( + # Inputs + li = "character", #link function + X = "matrix", + Y = "numeric", + Mhat = "numeric", #vector of empirical moments + # Dimensions + K = "integer", + n = "integer", + d = "integer", + # Weights matrix (generalized least square) + W = "matrix" + ), + + methods = list( + initialize = function(...) + { + "Check args and initialize K, d, W" + + callSuper(...) + if (!hasArg("X") || !hasArg("Y") || !hasArg("K") + || !hasArg("li") || !hasArg("Mhat")) + { + stop("Missing arguments") + } + + n <<- nrow(X) + d <<- ncol(X) + # W will be initialized when calling run() + }, + + expArgs = function(v) + { + "Expand individual arguments from vector v into a list" + + list( + # p: dimension K-1, need to be completed + "p" = c(v[1:(K-1)], 1-sum(v[1:(K-1)])), + "β" = t(matrix(v[K:(K+d*K-1)], ncol=d)), + "b" = v[(K+d*K):(K+(d+1)*K-1)]) + }, + + linArgs = function(L) + { + "Linearize vectors+matrices from list L into a vector" + + # β linearized row by row, to match derivatives order + c(L$p[1:(K-1)], as.double(t(L$β)), L$b) + }, + + computeW = function(θ) + { + require(MASS) + dd <- d + d^2 + d^3 + M <- Moments(θ) + Omega <- matrix( .C("Compute_Omega", + X=as.double(X), Y=as.integer(Y), M=as.double(M), + pn=as.integer(n), pd=as.integer(d), + W=as.double(W), PACKAGE="morpheus")$W, nrow=dd, ncol=dd ) + MASS::ginv(Omega) + }, + + Moments = function(θ) + { + "Vector of moments, of size d+d^2+d^3" + + p <- θ$p + β <- θ$β + λ <- sqrt(colSums(β^2)) + b <- θ$b + + # Tensorial products β^2 = β2 and β^3 = β3 must be computed from current β1 + β2 <- apply(β, 2, function(col) col %o% col) + β3 <- apply(β, 2, function(col) col %o% col %o% col) + + c( + β %*% (p * .G(li,1,λ,b)), + β2 %*% (p * .G(li,2,λ,b)), + β3 %*% (p * .G(li,3,λ,b))) + }, + + f = function(θ) + { + "Product t(hat_Mi - Mi) W (hat_Mi - Mi) with Mi(theta)" + + L <- expArgs(θ) + A <- as.matrix(Mhat - Moments(L)) + t(A) %*% W %*% A + }, + + grad_f = function(θ) + { + "Gradient of f, dimension (K-1) + d*K + K = (d+2)*K - 1" + + L <- expArgs(θ) + -2 * t(grad_M(L)) %*% W %*% as.matrix(Mhat - Moments(L)) + }, + + grad_M = function(θ) + { + "Gradient of the vector of moments, size (dim=)d+d^2+d^3 x K-1+K+d*K" + + p <- θ$p + β <- θ$β + λ <- sqrt(colSums(β^2)) + μ <- sweep(β, 2, λ, '/') + b <- θ$b + + res <- matrix(nrow=nrow(W), ncol=0) + + # Tensorial products β^2 = β2 and β^3 = β3 must be computed from current β1 + β2 <- apply(β, 2, function(col) col %o% col) + β3 <- apply(β, 2, function(col) col %o% col %o% col) + + # Some precomputations + G1 = .G(li,1,λ,b) + G2 = .G(li,2,λ,b) + G3 = .G(li,3,λ,b) + G4 = .G(li,4,λ,b) + G5 = .G(li,5,λ,b) + + # Gradient on p: K-1 columns, dim rows + km1 = 1:(K-1) + res <- cbind(res, rbind( + sweep(as.matrix(β [,km1]), 2, G1[km1], '*') - G1[K] * β [,K], + sweep(as.matrix(β2[,km1]), 2, G2[km1], '*') - G2[K] * β2[,K], + sweep(as.matrix(β3[,km1]), 2, G3[km1], '*') - G3[K] * β3[,K] )) + + for (i in 1:d) + { + # i determines the derivated matrix dβ[2,3] + + dβ_left <- sweep(β, 2, p * G3 * β[i,], '*') + dβ_right <- matrix(0, nrow=d, ncol=K) + block <- i + dβ_right[block,] <- dβ_right[block,] + 1 + dβ <- dβ_left + sweep(dβ_right, 2, p * G1, '*') + + dβ2_left <- sweep(β2, 2, p * G4 * β[i,], '*') + dβ2_right <- do.call( rbind, lapply(1:d, function(j) { + sweep(dβ_right, 2, β[j,], '*') + }) ) + block <- ((i-1)*d+1):(i*d) + dβ2_right[block,] <- dβ2_right[block,] + β + dβ2 <- dβ2_left + sweep(dβ2_right, 2, p * G2, '*') + + dβ3_left <- sweep(β3, 2, p * G5 * β[i,], '*') + dβ3_right <- do.call( rbind, lapply(1:d, function(j) { + sweep(dβ2_right, 2, β[j,], '*') + }) ) + block <- ((i-1)*d*d+1):(i*d*d) + dβ3_right[block,] <- dβ3_right[block,] + β2 + dβ3 <- dβ3_left + sweep(dβ3_right, 2, p * G3, '*') + + res <- cbind(res, rbind(dβ, dβ2, dβ3)) + } + + # Gradient on b + res <- cbind(res, rbind( + sweep(β, 2, p * G2, '*'), + sweep(β2, 2, p * G3, '*'), + sweep(β3, 2, p * G4, '*') )) + + res + }, + + run = function(θ0) + { + "Run optimization from θ0 with solver..." + + if (!is.list(θ0)) + stop("θ0: list") + if (is.null(θ0$β)) + stop("At least θ0$β must be provided") + if (!is.matrix(θ0$β) || any(is.na(θ0$β)) + || nrow(θ0$β) != d || ncol(θ0$β) != K) + { + stop("θ0$β: matrix, no NA, nrow = d, ncol = K") + } + if (is.null(θ0$p)) + θ0$p = rep(1/K, K-1) + else if (!is.numeric(θ0$p) || length(θ0$p) != K-1 + || any(is.na(θ0$p)) || sum(θ0$p) > 1) + { + stop("θ0$p: length K-1, no NA, positive integers, sum to <= 1") + } + if (is.null(θ0$b)) + θ0$b = rep(0, K) + else if (!is.numeric(θ0$b) || length(θ0$b) != K || any(is.na(θ0$b))) + stop("θ0$b: length K, no NA") + + # (Re)Set W to identity, to allow several run from the same object + W <<- diag(d+d^2+d^3) + + loopMax <- 2 #TODO: loopMax = 3 ? Seems not improving... + x_init <- linArgs(θ0) + for (loop in 1:loopMax) + { + op_res = constrOptim( x_init, .self$f, .self$grad_f, + ui=cbind( + rbind( rep(-1,K-1), diag(K-1) ), + matrix(0, nrow=K, ncol=(d+1)*K) ), + ci=c(-1,rep(0,K-1)) ) + if (loop < loopMax) #avoid computing an extra W + W <<- computeW(expArgs(op_res$par)) + x_init <- op_res$par + #print(op_res$value) #debug + #print(expArgs(op_res$par)) #debug + } + + expArgs(op_res$par) + } + ) ) # Compute vectorial E[g^{(order)}(<β,x> + b)] with x~N(0,Id) (integral in R^d) # = E[g^{(order)}(z)] with z~N(b,diag(λ)) +# by numerically evaluating the integral. # # @param link Link, 'logit' or 'probit' # @param order Order of derivative @@ -260,82 +300,49 @@ setRefClass( # .G <- function(link, order, λ, b) { - # NOTE: weird "integral divergent" error on inputs: - # link="probit"; order=2; λ=c(531.8099,586.8893,523.5816); b=c(-118.512674,-3.488020,2.109969) - # Switch to pracma package for that (but it seems slow...) - - exactComp <- FALSE #TODO: global, or argument... - - if (exactComp && link == "probit") - { - # Use exact computations - sapply( seq_along(λ), function(k) { - .exactProbitIntegral(order, λ[k], b[k]) - }) - } - - else - { - # Numerical integration - sapply( seq_along(λ), function(k) { - res <- NULL - tryCatch({ - # Fast code, may fail: - res <- stats::integrate( - function(z) .deriv[[link]][[order]](λ[k]*z+b[k]) * exp(-z^2/2) / sqrt(2*pi), - lower=-Inf, upper=Inf )$value - }, error = function(e) { - # Robust slow code, no fails observed: - sink("/dev/null") #pracma package has some useless printed outputs... - res <- pracma::integral( - function(z) .deriv[[link]][[order]](λ[k]*z+b[k]) * exp(-z^2/2) / sqrt(2*pi), - xmin=-Inf, xmax=Inf, method="Kronrod") - sink() - }) - res - }) - } -} - -# TODO: check these computations (wrong atm) -.exactProbitIntegral <- function(order, λ, b) -{ - c1 = (1/sqrt(2*pi)) * exp( -.5 * b/((λ^2+1)^2) ) - if (order == 1) - return (c1) - c2 = b - λ^2 / (λ^2+1) - if (order == 2) - return (c1 * c2) - if (order == 3) - return (c1 * (λ^2 - 1 + c2^2)) - if (order == 4) - return ( (c1*c2/((λ^2+1)^2)) * (-λ^4*((b+1)^2+1) - - 2*λ^3 + λ^2*(2-2*b*(b-1)) + 6*λ + 3 - b^2) ) - if (order == 5) #only remaining case... - return ( c1 * (3*λ^4+c2^4+6*c1^2*(λ^2-1) - 6*λ^2 + 6) ) + # NOTE: weird "integral divergent" error on inputs: + # link="probit"; order=2; λ=c(531.8099,586.8893,523.5816); b=c(-118.512674,-3.488020,2.109969) + # Switch to pracma package for that (but it seems slow...) + sapply( seq_along(λ), function(k) { + res <- NULL + tryCatch({ + # Fast code, may fail: + res <- stats::integrate( + function(z) .deriv[[link]][[order]](λ[k]*z+b[k]) * exp(-z^2/2) / sqrt(2*pi), + lower=-Inf, upper=Inf )$value + }, error = function(e) { + # Robust slow code, no fails observed: + sink("/dev/null") #pracma package has some useless printed outputs... + res <- pracma::integral( + function(z) .deriv[[link]][[order]](λ[k]*z+b[k]) * exp(-z^2/2) / sqrt(2*pi), + xmin=-Inf, xmax=Inf, method="Kronrod") + sink() + }) + res + }) } # Derivatives list: g^(k)(x) for links 'logit' and 'probit' # .deriv <- list( - "probit"=list( - # 'probit' derivatives list; - # TODO: exact values for the integral E[g^(k)(λz+b)] - function(x) exp(-x^2/2)/(sqrt(2*pi)), #g' - function(x) exp(-x^2/2)/(sqrt(2*pi)) * -x, #g'' - function(x) exp(-x^2/2)/(sqrt(2*pi)) * ( x^2 - 1), #g^(3) - function(x) exp(-x^2/2)/(sqrt(2*pi)) * (-x^3 + 3*x), #g^(4) - function(x) exp(-x^2/2)/(sqrt(2*pi)) * ( x^4 - 6*x^2 + 3) #g^(5) - ), - "logit"=list( - # Sigmoid derivatives list, obtained with http://www.derivative-calculator.net/ - # @seealso http://www.ece.uc.edu/~aminai/papers/minai_sigmoids_NN93.pdf - function(x) {e=exp(x); .zin(e /(e+1)^2)}, #g' - function(x) {e=exp(x); .zin(e*(-e + 1) /(e+1)^3)}, #g'' - function(x) {e=exp(x); .zin(e*( e^2 - 4*e + 1) /(e+1)^4)}, #g^(3) - function(x) {e=exp(x); .zin(e*(-e^3 + 11*e^2 - 11*e + 1) /(e+1)^5)}, #g^(4) - function(x) {e=exp(x); .zin(e*( e^4 - 26*e^3 + 66*e^2 - 26*e + 1)/(e+1)^6)} #g^(5) - ) + "probit"=list( + # 'probit' derivatives list; + # NOTE: exact values for the integral E[g^(k)(λz+b)] could be computed + function(x) exp(-x^2/2)/(sqrt(2*pi)), #g' + function(x) exp(-x^2/2)/(sqrt(2*pi)) * -x, #g'' + function(x) exp(-x^2/2)/(sqrt(2*pi)) * ( x^2 - 1), #g^(3) + function(x) exp(-x^2/2)/(sqrt(2*pi)) * (-x^3 + 3*x), #g^(4) + function(x) exp(-x^2/2)/(sqrt(2*pi)) * ( x^4 - 6*x^2 + 3) #g^(5) + ), + "logit"=list( + # Sigmoid derivatives list, obtained with http://www.derivative-calculator.net/ + # @seealso http://www.ece.uc.edu/~aminai/papers/minai_sigmoids_NN93.pdf + function(x) {e=exp(x); .zin(e /(e+1)^2)}, #g' + function(x) {e=exp(x); .zin(e*(-e + 1) /(e+1)^3)}, #g'' + function(x) {e=exp(x); .zin(e*( e^2 - 4*e + 1) /(e+1)^4)}, #g^(3) + function(x) {e=exp(x); .zin(e*(-e^3 + 11*e^2 - 11*e + 1) /(e+1)^5)}, #g^(4) + function(x) {e=exp(x); .zin(e*( e^4 - 26*e^3 + 66*e^2 - 26*e + 1)/(e+1)^6)} #g^(5) + ) ) # Utility for integration: "[return] zero if [argument is] NaN" (Inf / Inf divs) @@ -344,6 +351,6 @@ setRefClass( # .zin <- function(x) { - x[is.nan(x)] <- 0. - x + x[is.nan(x)] <- 0. + x }