Below we run nls
(using a slightly modified model) and nlxb
(from nlsr) but nlxb
stops before convergence. Desite these problems both of these nevertheless do give results which visually fit the data well. These problems suggest that there are problems with the model itself so in the Other section, guided by the nlxb
output, we show how to fix the model giving a submodel of the original model which fits the data easily with both nls
and nlxb
and also gives a good fit. At the end in the Notes section we provide the data in reproducible form.
nls
Assuming the setup shown reproducibly in the Note at the end, reformulate the problem for the nls plinear algorithm by defining a right hand side matrix whose columns multiply each of the linear parameters, a1, a2, a3 and d, respectively. plinear does not require starting values for those simplifying the setup. It will report them as .lin1, .lin2, .lin3 and .lin4 respectively.
To get starting values we used a simpler model with no grouping and a grid search over b from 1 to 10 and c also from 1 to 10 using nls2
in the package of the same name. We also found that nls
still produced errors but by using abs
in the formula, as shown, it ran to completion.
The problems with the model suggest that there is a fundamental problem with it and in the Other section we discuss how to fix it up.
xx <- c(x, x, x)
yy <- c(y1, y2, y3)
# startingi values using nls2
library(nls2)
fo0 <- yy ~ cbind(b ^ abs(xx - c), 1)
st0 <- data.frame(b = c(1, 10), c = c(1, 10))
fm0 <- nls2(fo0, start = st0, alg = "plinear-brute")
# run nls using starting values from above
g <- rep(1:3, each = length(x))
fo <- yy ~ cbind((g==1) * b ^ abs(xx - c[g]),
(g==2) * b ^ abs(xx - c[g]),
(g==3) * b ^ abs(xx - c[g]),
1)
st <- with(as.list(coef(fm0)), list(b = b, c = c(c, c, c)))
fm <- nls(fo, start = st, alg = "plinear")
plot(yy ~ xx, col = g)
for(i in unique(g)) lines(predict(fm) ~ xx, col = i, subset = g == i)
fm
giving:
Nonlinear regression model
model: yy ~ cbind((g == 1) * b^abs(xx - c[g]), (g == 2) * b^abs(xx - c[g]), (g == 3) * b^abs(xx - c[g]), 1)
data: parent.frame()
b c1 c2 c3 .lin1 .lin2 .lin3 .lin4
1.997 0.424 1.622 1.074 0.680 0.196 -0.532 9.922
residual sum-of-squares: 133
Number of iterations to convergence: 5
Achieved convergence tolerance: 5.47e-06
(continued after plot)
nlsr
With nlsr it would be done like this. No grid search for starting values was needed and adding abs
was not needed either. The b and d values seem similar to the nls solution but the other coefficients differ. Visually both solutions seem to fit the data.
On the other hand from the JSingval column we see that the jacobian is rank deficient which caused it to stop and not produce SE values and the convergence is in doubt (although it may be sufficient given that visually the plot, not shown, seems like a good fit). We discuss how to fix this up in the Other section.
g1 <- g == 1; g2 <- g == 2; g3 <- g == 3
fo2 <- yy ~ g1 * (a1 * b ^ (xx - c1) + d) +
g2 * (a2 * b ^ (xx - c2) + d) +
g3 * (a3 * b ^ (xx - c3) + d)
st2 <- list(a1 = 1, a2 = 1, a3 = 1, b = 1, c1 = 1, c2 = 1, c3 = 1, d = 1)
fm2 <- nlxb(fo2, start = st2)
fm2
giving:
vn: [1] "yy" "g1" "a1" "b" "xx" "c1" "d" "g2" "a2" "c2" "g3" "a3" "c3"
no weights
nlsr object: x
residual sumsquares = 133.45 on 153 observations
after 16 Jacobian and 22 function evaluations
name coeff SE tstat pval gradient JSingval
a1 3.19575 NA NA NA 9.68e-10 4097
a2 0.64157 NA NA NA 8.914e-11 662.5
a3 -1.03096 NA NA NA -1.002e-09 234.9
b 1.99713 NA NA NA -2.28e-08 72.57
c1 2.66146 NA NA NA -2.14e-09 10.25
c2 3.33564 NA NA NA -3.955e-11 1.585e-13
c3 2.0297 NA NA NA -7.144e-10 1.292e-13
d 9.92363 NA NA NA -2.603e-12 3.271e-14
We can calculate SE's using nls2 as a second stage but this still does not address the problem with the whole lthing that the singular values suggest.
summary(nls2(fo2, start = coef(fm2), algorithm = "brute-force"))
giving:
Formula: yy ~ g1 * (a1 * b^(xx - c1) + d) + g2 * (a2 * b^(xx - c2) + d) +
g3 * (a3 * b^(xx - c3) + d)
Parameters:
Estimate Std. Error t value Pr(>|t|)
a1 3.20e+00 5.38e+05 0.0 1
a2 6.42e-01 3.55e+05 0.0 1
a3 -1.03e+00 3.16e+05 0.0 1
b 2.00e+00 2.49e-03 803.4 <2e-16 ***
c1 2.66e+00 9.42e-02 28.2 <2e-16 ***
c2 3.34e+00 2.43e+05 0.0 1
c3 2.03e+00 8.00e+05 0.0 1
d 9.92e+00 4.42e+05 0.0 1
---
Signif. codes: 0 ‘***’ 0.001 ‘**’ 0.01 ‘*’ 0.05 ‘.’ 0.1 ‘ ’ 1
Residual standard error: 0.959 on 145 degrees of freedom
Number of iterations to convergence: 8
Achieved convergence tolerance: NA
Other
When nls
has trouble fitting a model it often suggests that there is something wrong with the model itself. Playing around with it a bit, guided by the JSingval column in nlsr output above which suggests that c
parameters or d
might be the problem, we find that if we fix all c
parameter values to 0 then the model is easy to fit given sufficiently good starting values and it still gives a low residual sum of squares.
library(nls2)
fo3 <- yy ~ cbind((g==1) * b ^ xx, (g==2) * b ^ xx, (g==3) * b ^ xx, 1)
st3 <- coef(fm0)["b"]
fm3 <- nls(fo3, start = st3, alg = "plinear")
giving:
Nonlinear regression model
model: yy ~ cbind((g == 1) * b^xx, (g == 2) * b^xx, (g == 3) * b^xx, 1)
data: parent.frame()
b .lin1 .lin2 .lin3 .lin4
1.9971 0.5071 0.0639 -0.2532 9.9236
residual sum-of-squares: 133
Number of iterations to convergence: 4
Achieved convergence tolerance: 1.67e-09
which the following anova indicates is comparable to fm
from above despite having 3 fewer parameters:
anova(fm3, fm)
giving:
Analysis of Variance Table
Model 1: yy ~ cbind((g == 1) * b^xx, (g == 2) * b^xx, (g == 3) * b^xx, 1)
Model 2: yy ~ cbind((g == 1) * b^abs(xx - c[g]), (g == 2) * b^abs(xx - c[g]), (g == 3) * b^abs(xx - c[g]), 1)
Res.Df Res.Sum Sq Df Sum Sq F value Pr(>F)
1 148 134
2 145 133 3 0.385 0.14 0.94
We can redo fm3
using nlxb
like this:
fo4 <- yy ~ g1 * (a1 * b ^ xx + d) +
g2 * (a2 * b ^ xx + d) +
g3 * (a3 * b ^ xx + d)
st4 <- list(a1 = 1, a2 = 1, a3 = 1, b = 1, d = 1)
fm4 <- nlxb(fo4, start = st4)
fm4
giving:
nlsr object: x
residual sumsquares = 133.45 on 153 observations
after 24 Jacobian and 33 function evaluations
name coeff SE tstat pval gradient JSingval
a1 0.507053 0.005515 91.94 1.83e-132 8.274e-08 5880
a2 0.0638554 0.0008735 73.11 4.774e-118 1.26e-08 2053
a3 -0.253225 0.002737 -92.54 7.154e-133 -4.181e-08 2053
b 1.99713 0.002294 870.6 2.073e-276 -2.55e-07 147.5
d 9.92363 0.09256 107.2 3.367e-142 -1.219e-11 10.26
Note
The assumed input below is the same as in the question except we additionally
set the seed to make it reproducible.
set.seed(123)
my_model <- function(x, a, b, c, d) a * b ^ (x - c) + d
x <- seq(0, 10, 0.2)
b <- 2; d <- 10 # shared
a1 <- 1; c1 <- 1
y1 <- my_model(x, a = a1, b = b, c = c1, d = d) + rnorm(length(x))
a2 <- 2; c2 <- 5
y2 <- my_model(x, a = a2, b = b, c = c2, d = d) + rnorm(length(x))
a3 <- -2; c3 <- 3
y3 <- my_model(x, a = a3, b = b, c = c3, d = d) + rnorm(length(x))