Separable Nonlinear Least Squares For Estimating
Separable Nonlinear Least Squares For Estimating
Separable Nonlinear Least Squares For Estimating
Keywords: Linear, nonlinear, separable nonlinear least squares, Taylor expansion, gauss-newton
method
Introduction
The statistical tool used to investigate the relationship between (dependent and independent)
variables is called regression analysis. Usually, researchers use regression analysis to analyze
the effect of some independent variables (explanatory variables) on one variable (response
variable) [1, 2]. The investigators use the regression equation to describe the relationship
between the response and explanatory variables. The regression model includes one or more
hypothesized regression unknown parameters [3]. The regression model can be estimated
using several methods such as ordinary least squares (OLS) and maximum likelihood method
(MLE) for the parametric regression model [4]. Nonparametric regression can be estimated by
using the Kernel method or Spline method [5].
The most well-known and classic estimators for regression coefficients are the ordinary least
squares (OLS) estimators obtained by minimizing the sum of squared residuals [6]. The least
squares method needs the error to be assumed as independent and identically distributed with
mean zero and constant variance (the normality assumption). Under the Gauss-Markov
Corresponding Author: theorem, the estimated parameters are the best linear unbiased estimators (BLUE). In
Mohamed Jaber practice, there are many problems caused when the assumptions are violated, e.g. non-
Department of Statistics, normality, heteroscedasticity, and of particular interest is the nonlinear independence of
College of Science, University regresses (independent variables) [7].
of Misurata, Libya
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Unlike the linear regression model, the nonlinear regression nonlinear least squares, like in linear least squares case. The
model is not restricted to belonging to a specific relation. To nonlinear regression model, given by,
apply the linear regression model, we need to satisfy several
assumptions such as linearity, no multicollinearity, and Y = f(X; θ) + ε
normality. While to apply the nonlinear regression, we need
a model to fit with data and an initial guess to start Where
estimating the model parameters. The Gauss-Newton Y = (y1 , y2 , … , yn )T , f(X; θ) =
method (GNM) is the most popular method that is use to fit (f(X1 , θ), f( X2 , θ), … , f(Xn , θ))T , X = (X1 , X2 , … , Xp )T , θ =
the nonlinear regression model [8].
(θ1 , θ2 , … , θp )T , and ε = (ε1 , ε2 , … , εn )T ; ε~NID(0, σ2 I)
When the relationships in data are not linear, additional
flexibility is needed to apply the traditional approach of the
Nonlinear least squares. However, recent advances in The least squares estimate of θ, labeled by θ̂, is the choice
statistical techniques help to analyze data where questions of of parameters that minimizes the sum of squared residuals
nonlinearity arise [9]. Smoothing splines and semi-parametric n
regression, which allow more flexibility than the nonlinear
regression models, are examples of these techniques. This ss(θ) = ∑[Yi − f(Xi ; θ)]2 , i = 1,2, … n
work will provide a review of nonlinear least squares and i=1
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p
Gauss-Newton Algorithm for (NLS)
f(Xi ; θ) = fi0 + ∑ Fij0 β0j Taylor expansion for f(X𝑖 ; θ) is
j=0
3
∂
f(Xi ; θ) ≈ f(Xi ; θ0 ) + ∑ [ f(Xi ; θj )] (θj − θ0j )
∂θj
Also, the nonlinear model can be written as j=0 θ=θ0
p ∂
f(Xi ; θ) ≈ f(Xi ; θ0 ) + [θ (1 − θ2 e−θ3X )](θ1 − θ10 )
Yi0 = ∑ Fij0 β0j + εi , where Yi0 = Yi − fi0 ∂θ1 1
j=0
∂ ∂
+ [θ (1 − θ2 e−θ3X )](θ2 − θ02 ) + [θ (1 − θ2 e−θ3X )](θ3 − θ03 )
∂θ2 1 ∂θ3 1
Which is of the similar form of the multiple linear f(X i ; θ) ≈ f(X i ; θ0 ) + (1 − θ2 e−θ3X )(θ1 − θ10 ) − θ1 e−θ3X (θ2 − θ02 )
regression model. Using the matrix notation can be written + θ1 θ2 Xe−θ3X (θ3 − θ03 )
as
Initial guesses or starting values are required for estimating
Y 0 = F 0 β0 + ε the model parameters using Gauss-Newton algorithm.
Moreover, we can inference about the model parameters by
Where, applying several assumptions around the estimated
parameters θ̂ [20].
Y10 0 0
. . . F1p 0 β00 ε1
F10 F11
ε2 1. The estimated parameters θ̂ has approximate normal
Y20 0
F20 0
F21 . . . F2p 0 β10
Y 0 = .. , F 0 = . .. . . . . , β0 = .. , and ε = ...
distribution with approximate mean 𝜃 and approximate
.. .. . .. .. .. .. .. . covariance matrix σ2 (F ′ F)−1 .
0 0 0
0
[Yn ] [ Fn0 Fn1 . . . Fnp ]
0
[ βp ] [εn ] 2. An approximate (1 − 𝛼)100% joint confidence region
for θ, which is an ellipsoid is given by:
The least squares estimate of the parameters β0 are obtained 3. (θ − θ̂)′ F̂ ′ F̂(θ − θ̂) ≤ ps 2 F(p,n−p,α)
as 4. An approximate (1 − 𝛼)100% marginal confidence
interval for θi is
−1
δ0 = (F 0 F 0 )
T
F0Y0 5. θ̂i ± t (n−p,α) se(θ̂)
2
6. An approximate (1 − 𝛼)100% confidence interval for
New values of the parameters are obtained by adding the the expected response variable at X0 is
estimated shift to the initial values using Gauss-Newton
increment by 7. f(θ̂, X0 ) ± t (n−p,α) s√V0′ (F̂ ′ F̂)−1 V0
2
8. An approximate (1 − 𝛼)100% confidence interval for
θ1 = θ0 + δ0 the predicted mean of the response variable at X0 is:
θ2 = θ.1 + δ1
f(θ̂, X0 ) ± t (n−p,α) s√1 + V0′ (F̂ ′ F̂)−1 V0 ; V0
.. 2
a
θ =θ a−1
+δ a−1 ∂f(θ̂, X0 )
=[ ]
∂θ θ=θ0
Where, δa is called the Gauss-Newton increment. The
model is then linearized about the new values of the Separable of Nonlinear Least Squares (SNLS)
parameters and linear least squares are again applied to find In the separable least squares, the objective function is a
the second set of adjustments, and so forth until the desired mixture of two components (linear and nonlinear functions)
degree of convergence is attained [18]. The adjustments [21]
. The separable of nonlinear least squares is a special case
obtained from the Gauss-Newton method can be too large of nonlinear least squares in which the function can be
and bypass the solution, in which case the residual sum of derived into two parts [22]. The method can be used in many
squares may increase at that step rather than decrease. applications such as numerical analysis, neural networks,
Moreover, the Gauss-Newton algorithm will converge only and Environmental Sciences. However, the SNLS is an
with a good initial guess when the matrix F 0 is a full rank invalid method when there are some constrains on the linear
matrix in a neighborhood of the least square’s solution [19]. part of variables [23, 24]. Here, we proposed SNLS to solve a
Otherwise, there is no guarantee that the Gauss-Newton function that was solved by NSL.
algorithm will converge.
In practice, the previous technique can be used only when ̃ + εi ,
f(X i , θ) = θ1 (1 − θ2 e−θ3 X ) + εi = θ1 − θ1 θ2 e−θ3X = β0 + β1 X
the function f(Xi ; θ) is continuously and differentiable
respect to the parameter θ. If the function f(Xi ; θ) is not ̃ = e−θ3X
β0 = θ1 , β1 = −θ1 θ2 , and X
continuous and differentiable with respect to the parameter
θ, it is usually necessary to modify the model or use another ̃ 𝑖 ; θ3 ) is
Taylor expansion for f(X
technique to estimate the nonlinear model. To apply the
Gauss-Newton Algorithm for the nonlinear model, we need ∞
to find the Taylor expansion for the model. (−θ3 X)j
̃ i ; θ3 ) ≈ f(X
f(X ̃ i ; θ03 ) + ∑
j!
j=1
f(Xi , θ) = θ1 (1 − θ2 e−θ3X ) + εi
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̃)2 (θ3 X
(θ3 X ̃)3 the estimated parameters of the
̃ i ; θ3 ) ≈ f(X
f(X ̃ i ; θ03 )−θ3 ̃
X+ − +⋯
2! 3! f(Xi , θ) = θ1 (1 − θ2 e−θ3X ) + εi using data science about
chloride ion transport through blood cell walls the data set
For any given value for θ3 , the θ1 and θ2 can be estimated includes two factors (y donates the chloride concentration
by applying linear least squares method as: (in percent) and x donates to the time (in minutes)). For
more details, see [25]. The review study was performed to
Estimating Nonlinear Model compare between the nonlinear least squares and separable
The study implemented to comparison between the nonlinear least square. In this study, we give a short
estimated model using nonlinear least squares (Gauss- application on the separable nonlinear least square method
Newton algorithm) and separable nonlinear least squares. unseparated scheme for NLS. The results, of estimating
The study was carried out to estimate the nonlinear model nonlinear model using NLS and SNLS are demonstrated in
parameters (θ1 , θ2 , and θ3 ). We used RStudio to generate Table 1:
Table 1: Estimated model parameters using nonlinear least squares and separable nonlinear least squares
NLS SNLS
Parameters
Estimate St. Error T P-value Estimate St. Error T P-value
𝜃1 39.09 0.974 40.12 <2e-16*** 28.835 1.0952 26.328 <2e-16***
𝜃2 0.828 0.008 99.80 <2e-16*** 0.638 0.1132 5.634 7.64e-07***
𝜃3 0.158 0.010 15.18 <2e-16*** 0.227 1.5085 -15.113 < 2e-16***
Residuals standard error=1.92 Residuals standard error=1.95
AIC=-20.09 & BIC=-12.13 AIC=-18.12 & BIC=-10.17
From the results, we can see that the estimated model using though the estimated value of the parameter θ1 (28.835) was
SNLS is comparable with the estimated model using NLS. slightly different from the estimated value of θ1 using NLS
Moreover, based on the model goodness of fits both (39.09).
methods NLS and SNLS performed well with the data. The
estimated model using SNLS still performed well even
Fig 1: The typical residuals of nonlinear regression model with estimated model using NLS and SNLS
The above plots, show the mathematical function that model can be estimated using several methods such as
explains the relationship between the dependent variable y ordinary least squares (OLS) and maximum likelihood
and the response variable x throughout the nonlinear method (MLE). While the nonparametric regression can be
relationship. It can be observed from the above figures, that estimated by using the Kernel method or Spline method.
the estimated model using SNLS is close to the estimated In this work, we try to show the important and useful
model using NLS. However, the relationship looks linear technique for estimating the nonlinear model. In this
which can be easily estimated by OLS but the linearity technique, the nonlinear function (model) can be linearized
assumption for the model parameters is violated. by applying special transformation or by expanding using
Taylor expansion to linearize functions. The separable
Conclusion nonlinear least squares are a very flexible technique that
The statistical tool used to investigate the relationship used to linearize the nonlinear functions. The SNLS can be
between (dependent and independent) variables is called used after linearizing the nonlinear function through the
regression analysis. Usually, researchers use regression transformation of the variable of interest and the explanatory
analysis to analyze the effect of some independent variables variables. Moreover, the SNLS can be used to approximate
(explanatory variables) on one variable (response variable. a wide variety of functional shapes. The results show that
The investigators use the regression equation to describe the the SNLS performed very well in comparison with the NLS.
relationship between the response and explanatory variables. We can observe from the model goodness residuals standard
The relationship might be linear and might be a nonlinear error, AIC, and BIC that the SNLS method has provided an
relationship. To estimate the relationship (model), we need estimate equivalent to that NLS provided. Therefore, we can
to satisfy several assumptions. The parametric regression say that it is useful to estimate nonlinear model separable.
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