This is my first attempt at fitting a non-linear model in R, so please bear with me.
I am trying to understand why nls()
is giving me this error:
Error in nlsModel(formula, mf, start, wts): singular gradient matrix at initial parameter estimates
From what I've read from other questions here at SO it could either be because:
So I am calling for help on how to overcome this error. Can I change the model and still use nls()
, or do I need to use nls.lm
from the minpack.lm
package, as I have read elsewhere?
Here are some details about the model:
step_fn(x, min = 0, max = 1)
: function that returns 1
within the interval (min
, max
] and 0
otherwise; sorry about the name, I realize now it is not really a step function... interval_fn()
would be more appropriate I guess.staircase(x, dx, dy)
: a summation of step_fn()
functions. dx
is a vector of widths for the steps, i.e. max - min
, and dy
is the increment in y
for each step.staircase_formula(n = 1L)
: generates a formula
object that represents the model modeled by the function staircase()
(to be used with the nls()
function).purrr
and glue
packages in the example below.step_fn <- function(x, min = 0, max = 1) {
y <- x
y[x > min & x <= max] <- 1
y[x <= min] <- 0
y[x > max] <- 0
return(y)
}
staircase <- function(x, dx, dy) {
max <- cumsum(dx)
min <- c(0, max[1:(length(dx)-1)])
step <- cumsum(dy)
purrr::reduce(purrr::pmap(list(min, max, step), ~ ..3 * step_fn(x, min = ..1, max = ..2)), `+`)
}
staircase_formula <- function(n = 1L) {
i <- seq_len(n)
dx <- sprintf("dx%d", i)
min <-
c('0', purrr::accumulate(dx[-n], .f = ~ paste(.x, .y, sep = " + ")))
max <- purrr::accumulate(dx, .f = ~ paste(.x, .y, sep = " + "))
lhs <- "y"
rhs <-
paste(glue::glue('dy{i} * step_fn(x, min = {min}, max = {max})'),
collapse = " + ")
sc_form <- as.formula(glue::glue("{lhs} ~ {rhs}"))
return(sc_form)
}
x <- seq(0, 10, by = 0.01)
y <- staircase(x, c(1,2,2,5), c(2,5,2,1)) + rnorm(length(x), mean = 0, sd = 0.2)
plot(x = x, y = y)
lines(x = x, y = staircase(x, dx = c(1,2,2,5), dy = c(2,5,2,1)), col="red")
my_data <- data.frame(x = x, y = y)
my_model <- staircase_formula(4)
params <- list(dx1 = 1, dx2 = 2, dx3 = 2, dx4 = 5,
dy1 = 2, dy2 = 5, dy3 = 2, dy4 = 1)
m <- nls(formula = my_model, start = params, data = my_data)
#> Error in nlsModel(formula, mf, start, wts): singular gradient matrix at initial parameter estimates
Any help is greatly appreciated.
I assume you are given a vector of observations of length len
as the ones plotted in your example, and you wish to identify k
jumps and k
jump sizes. (Or maybe I misunderstood you; but you have not really said what you want to achieve.)
Below I will sketch a solution using Local Search. I start with your example data:
x <- seq(0, 10, by = 0.01)
y <- staircase(x,
c(1,2,2,5),
c(2,5,2,1)) + rnorm(length(x), mean = 0, sd = 0.2)
A solution is a list of positions and sizes of the jumps. Note that I use vectors to store these data, as it will become cumbersome to define variables when you have 20 jumps, say.
An example (random) solution:
k <- 5 ## number of jumps
len <- length(x)
sol <- list(position = sample(len, size = k),
size = runif(k))
## $position
## [1] 89 236 859 885 730
##
## $size
## [1] 0.2377453 0.2108495 0.3404345 0.4626004 0.6944078
We need an objective function to compute the quality of the solution. I also define a simple helper function stairs
, which is used by the objective function.
The objective function abs_diff
computes the average absolute difference between the fitted series (as defined by the solution) and y
.
stairs <- function(len, position, size) {
ans <- numeric(len)
ans[position] <- size
cumsum(ans)
}
abs_diff <- function(sol, y, stairs, ...) {
yy <- stairs(length(y), sol$position, sol$size)
sum(abs(y - yy))/length(y)
}
Now comes the key component for a Local Search: the neighbourhood function that is used to evolve the solution. The neighbourhood function takes a solution and changes it slightly. Here, it will either pick a position or a size and modify it slightly.
neighbour <- function(sol, len, ...) {
p <- sol$position
s <- sol$size
if (runif(1) > 0.5) {
## either move one of the positions ...
i <- sample.int(length(p), size = 1)
p[i] <- p[i] + sample(-25:25, size = 1)
p[i] <- min(max(1, p[i]), len)
} else {
## ... or change a jump size
i <- sample.int(length(s), size = 1)
s[i] <- s[i] + runif(1, min = -s[i], max = 1)
}
list(position = p, size = s)
}
An example call: here the new solution has its first jump size changed.
## > sol
## $position
## [1] 89 236 859 885 730
##
## $size
## [1] 0.2377453 0.2108495 0.3404345 0.4626004 0.6944078
##
## > neighbour(sol, len)
## $position
## [1] 89 236 859 885 730
##
## $size
## [1] 0.2127044 0.2108495 0.3404345 0.4626004 0.6944078
I remains to run the Local Search.
library("NMOF")
sol.ls <- LSopt(abs_diff,
list(x0 = sol, nI = 50000, neighbour = neighbour),
stairs = stairs,
len = len,
y = y)
We can plot the solution: the fitted line is shown in blue.
plot(x, y)
lines(x, stairs(len, sol.ls$xbest$position, sol.ls$xbest$size),
col = "blue", type = "S")