*(Q) I was wondering if anyone had used SPSS to do
any kind of piecewise regression. I have some
data which are linearly related however they contain
discontinuities (jumps), which I would like to include in the model.
* (A) Posted to SPSSX-L on 2001/10/03 by David Matheson
(SPSS Technical Support)
I've pasted a pair of Solutions below from the SPSS AnswerNet. The first
deals with piecewise regression when the knot points are known. The second
solution deals with the situation where the knot points are estimated from
the data. (However, my understanding is that you can't estimate both a knot
point and a jump parameter at that knot. See the Seber reference in the
second solution).
Solution 100000148 : Spline regression (a.k.a. piecewise polynomials)
Q.
How can I test a regression model where I expect the slope to
shift up or down, or even change sign, at a particular value of
the predictor? What if I expect all values of the response
variable to be increased by some constant if the predictor
exceeds a certain value?
A.
Regression models in which the function changes at one or more
points along the range of the predictor are called splines, or
piecewise polynomials, and the location of these shifts are called
knots. If the knots are fixed by the analyst, then splines can be
fitted quite easily with the REGRESSION procedure. The properties of
these splines are described below, followed by a description of the
process of fitting them with SPSS.
A spline model is hypothesized when the analyst expects that
the relationship between the predictor and the response variable
is altered at some value or values along the range of the predictor.
The shift at the knot points could involve a change in the form
of the relationship, such as a shift from a linear to a quadratic
relationship, the addition or subtraction of a constant to all
predicted response values to the right of the knot, or simply a
change in the slope, acceleration, etc. of the regression function.
Suppose we have a predictor XA and a response variable Y, where
we expect the regression function to change if XA is greater than
some fixed value K1. Suppose we have also computed the squared and
cubed values of XA in XA2 and XA3, allowing us to test a cubic model.
The spline is fit by creating an additional set of predictor
variables, XB0 to XB3, which are all equal to 0 if XA <= K1.
These new variables are used to fit the change in the intercept,
linear, quadratic, and cubic terms, respectively, of the model
for XA > K1.
If XA > K1, then: XB0=1 ;
XB1=(XA-K1) ;
XB2=(XA-K1)**2 ;
XB3=(XA-K1)**3 .
Including XB0 in the model allows for a discontinuity, or jump
point, in the regression function. Excluding XB0 means that the
regression line may change direction at the knot, but the two
pieces of the line will be joined at the knot. Note that some texts
define the XB0 dummy variable as 1 if XA is greater than OR EQUAL TO K1,
whereas others define it as 1 for XA > K1, as shown above. Hopefully,
the process that is believed to underlie the shift in slope will
provide guidance as to whether the function is right-continuous
(XB0=1 if XA=K1) or left-continuous (XB0=0 if XA=K1) at the knot.
For all the higher-order XB terms, the value of the XB variable will
be 0 at K1 in either case.
If we wanted to test the model that the regression line was continuous
at K1 and linear on both sides of K1, but that the slope changed
at K1, then XA and XB1 would be included as predictors. The
t-test for the significance of the XB1 coefficient, in the
presence of XA, would indicate whether there was a significant
change in slope at K1. The sign and magnitude of the XB1
coefficient would indicate the direction and magnitude of the change.
In choosing a spline model, there is a tradeoff between the
smoothness of the function at the knots and obtaining a good fit
to the data. For a regression function of degree R, maximum
smoothness is obtained by fixing all derivatives up to R-1 to
be equal for the two pieces. This constraint is achieved by only
adding the Rth degree variable from the XB set. In the above
example, Y would be predicted by XA, XA2, XA3, and XB3. Only
the cubic term is altered after the knot. If this model fits the
data or theory poorly, the analyst may want to relax the
continuity constraints by entering lower order (XA-K1) terms
(i.e. XB variables) into the model. An excellent introduction
to defining and testing spline models is available in a
paper by Patricia Smith ("Splines as Useful and Convenient
Statistical Tools", in American Statistician, 1979).
Smith includes a discussion of the constraints required when
the function after the knot point is of a lower order than the
function before the knot point.
Keep in mind that as the number of knots increases, as well as the
number of parameters for each piece between the knots,
multicollinearity can quickly become a problem.
Four examples of spline model definition and testing are provided
below. In each example, assume that Y and XA are observed
variables that exist in the active file. The regression commands
are rather sparse in the example, i.e. without residual plots or
other diagnostic information, in order to focus on the aspects
that are specific to spline fitting. (However, the use of plots,
collinearity and influence diagnostics should be routinely used with
REGRESSION to check model fit, adherence to assumptions, and the effect
of outliers.)
EXAMPLE 1
In the first example, the linear model has 2 knots, at XA=15 and XA=25,
and is continuous at both knot points.
COMPUTE xb1 = xa - 15.
COMPUTE xc1 = xa - 25.
RECODE xb1 xc1 (lo thru 0 = 0).
REGRESSION VARIABLES = y xa xb1 xc1
/STATISTICS = DEFAULT
/DEP = y
/METHOD ENTER xa
/METHOD ENTER xb1
/METHOD ENTER xc1.
XB1 and XC1 are entered separately to test whether slope does change
at the first knot without considering the second knot, by testing
whether the coefficient for XB1 = 0 in the presence of XA. The
XC1 coefficient is then tested in the presence of XA and XB1.
EXAMPLE 2
In the second example, there is one knot at XA=15. The spline is
continuous at the knot, but the order of the polynomial changes.
Before the knot, the relationship is linear; after the knot, quadratic.
XB1 and XB2 are created to model this effect. Note that the quadratic
effect for the XB piece is tested in the context of the linear term for
that piece of the spline. Testing higher-order terms in the presence of
all lower-order terms is standard practice in fitting polynomials.
However, this practice may be contrasted with that in Example 4, where the
higher-order terms for the XB piece are entered first. In the latter case,
it is the continuity restrictions that are being tested sequentially,
with each new XB term improving the fit of the regression function and
reducing its smoothness.
COMPUTE xb1 = xa - 15.
RECODE xb1 (LO THRU 0 = 0).
COMPUTE xb2 = xb1*xb1.
REGRESSION VARIABLES = y xa xb1 xb2
/STATISTICS = DEFAULT CHA
/DEP = y
/METHOD ENTER xa
/METHOD ENTER xb1
/METHOD ENTER xb2.
EXAMPLE 3
In the third example, the spline is discontinuous at the knot, XA=15.
The model is that the function is quadratic both before and after the
knot. The function is right continuous at the knot, i.e. if XA=15 then
XB0=1 (the function 'jumps' at 15, not after 15).
COMPUTE XA2 = XA*XA.
COMPUTE XB0 = (XA GE 15).
COMPUTE XB1 = XB0 * (XA - 15).
COMPUTE XB2 = XB1 * XB1.
REGRESSION VARIABLES = y xa xa2 xb0 xb1 xb2
/STATISTICS = DEFAULT CHA
/DEP = y
/METHOD ENTER xa xa2
/METHOD ENTER xb0 xb1 xb2.
Here, the model with a single quadratic function is tested first. The
need for the spline is then tested by testing the XB variables as a
block . If the change in R-squared is not significant, it would
seem that a single function describes the relationship of X to Y along
the full range of X in the data.
EXAMPLE 4
In the fourth example, there is one knot at XA=15. A cubic spline is
fitted with the constraint that all second-order and lower-order
derivatives are equal on both sides of the knot, which is equivalent to
saying that only the cubic term of the function is adjusted after the
knot. The continuity constraints are gradually relaxed through a series
of METHOD subcommands that introduce the lower-order XB terms into the
model. Note that lower-order terms are present for the full range of
X through the XA linear and quadratic terms, even when the lower-order
XB terms are absent from the model.
COMPUTE XA2 = XA*XA.
COMPUTE XA3 = XA2*XA.
COMPUTE XB0 = (XA GE 15).
COMPUTE XB1 = XB0 * (XA - 15).
COMPUTE XB2 = XB1 * XB1.
COMPUTE XB3 = XB2 * XB1.
REGRESSION VARIABLES = y xa xa2 xa3 xb0 xb1 xb2 xb3
/STATISTICS = DEFAULT CHA
/DEP = y
/METHOD ENTER XA XA2 XA3
/METHOD ENTER XB3
/METHOD ENTER XB1
/METHOD ENTER XB0.
******************************************.
Solution 100009298 : Spline Regression with Estimated Knots in SPSS
Q.
I want to fit a regression model where I expect the slope to shift up or
down, or even change sign, at a particular value of the predictor. Also, I
want that shift point to be estimated as a parameter in the model. Can this
model be fitted in SPSS?
A.
Regression models in which the function changes at one or more points along
the range of the predictor are called splines, or piecewise polynomials, and
the location of these shifts are called knots. If the knots are fixed by the
analyst, then splines can be fitted quite easily with the SPSS REGRESSION
procedure. The properties of these splines are described in Solution
100000148, with by a description of the process of fitting them with
REGRESSION. If the knots are to be estimated from the data, i.e. if the
knots are variable, then you can fit many such models with the SPSS NLR and
CNLR procedures, as described below.These procedures perform Nonlinear
Regression and Constrained Nonlinear Regression, respectively.
One property of NLR which allows us to fit variable-knot models is the
facility to express multiplicative relationships between parameters. The
MODEL PROGRAM command from the first example, a 3-phase linear spline model,
illustrates this point.
MODEL PROGRAM ba0=3 ba1=3 bb1=-4 bc1=2 knot1=15 knot2=25.
COMPUTE predex1 = ba0 + ba1*xa + bb1*(xa-knot1)*(xa GE knot1)
+ bc1*(xa-knot2)*(xa GE knot2).
NLR y1 with xa / pred = predex1 /save pred resid (residex1).
The parameters ba0 and ba1 are the intercept and the linear coefficient,
respectively, for the predictor, XA. The parameter bb1 is the second-phase
adjustment to the slope. It is applied to (xa - knot1), where knot1 is the
first knot. By multiplying this model term by the logical expression (xa GE
knot1), we limit the influence of bb1 to values of XA at or above the first
knot).
The parameter bc1 is a further adjustment to the slope in the third phase.
Its relationship to knot2 is similar to the bb1-knot1 relationship. By
naming knot1 and knot2 in the MODEL PROGRAM statement, we declare them as
parameters to be estimated. The numbers assigned to each of the parameters
are starting values for the iterative maximum likelihood estimation process
used by NLR and CNLR.
However, one constraint must be placed on variable-knot models which is not
required in fixed-knot models. The model must be continuous at the knots.
There cannot be a "jump", or step, in the model at the knot. This constraint
simply requires the absence of a phase 2 intercept, or step parameter, to be
enforced in either NLR or CNLR. Also, the examples below are restricted to
models where the number of knots is fixed by the analyst, although their
location is estimated from the data. Finally, if you have more than one knot
in the model, you may wish to constrain 'later' knots to have higher values
than 'earlier' knots. The assignment of higher starting values for 'later'
knots than 'earlier' knots may be sufficient for this purpose, but in a
poorly-identified model, the additional constraint may be helpful. The CNLR
procedure must be used for this purpose, with the constraints expressed in
the /BOUNDS subcommand. Such a constraint is illustrated in Example 1, which
has 2 knot points.
See Chapter 9 of Seber, G.A.F., & Wild, C.J. (1989). Nonlinear regression.
New York: Wiley, for a discussion of spline regression models with fixed or
variable knots.
Three examples of analyses of variable-knot spline regression models are
shown below. An input program is presented that constructs a data set that
allows you to run these commands in SPSS. The predictor in each example is
the variable XA. There are 3 replicates at each value of XA. The dependent
variables are Y1, Y2, and Y3 for examples 1, 2, and 3, respectively. They
are generated with SPSS commands just before their respective analyses. The
examples are somewhat contrived and we may have cheated slightly by using
parameter starting values that equal the data-generating values for those
parameters. However, these examples are merely illustrative of the process
of using these commands for spline models.
******************************************.
SET SEED = 2000000.
title 'test spline regression with estimated knots, good start values'.
INPUT PROGRAM.
LOOP xa = 1 TO 35.
LOOP rep = 1 TO 3.
LEAVE xa.
END case.
END LOOP.
END LOOP.
END file.
END INPUT PROGRAM.
EXECUTE.
* EXAMPLE 1
In the first example, the linear model has 2 knots,
with starting values at XA=15 and XA=25,
and is continuous at both knot points.
* y1 is dep var for example 1, with knots at 15 and 25, linear .
COMPUTE y1=3 + 3*xa + normal(2).
IF (xa gt 15) y1=y1 - 4*(xa-15).
IF (xa gt 25) y1=y1 + 2*(xa-25).
PLOT /PLOT=y1 with xa.
* Constraints not placed on knot values.
MODEL PROGRAM ba0=3 ba1=3 bb1=-4 bc1=2 knot1=15 knot2=25.
COMPUTE predex1 = ba0 + ba1*xa + bb1*(xa-knot1)*(xa GE knot1)
+ bc1*(xa-knot2)*(xa GE knot2).
NLR y1 / PRED = predex1 /SAVE pred resid (residex1).
* Diagnostic plots of residuals, predicted values .
PLOT /PLOT=residex1 y1 with predex1
/PLOT=predex1 with xa.
* Note that in SPSS versions prior to 5.0, you must include the
* predictor(s) in the NLR and CNLR commands, as in:
* NLR y1 WITH xa / PRED = predex1 /SAVE pred resid (residex1).
* Including the predictors list returns a warning in later SPSS versions,
* but the command will still run.
* Example 1 with KNOT2 constrained to be greater than KNOT1 .
MODEL PROGRAM ba0=3 ba1=3 bb1=-4 bc1=2 knot1=15 knot2=25.
COMPUTE predex1 = ba0 + ba1*xa + bb1*(xa-knot1)*(xa ge knot1)
+ bc1*(xa-knot2)*(xa ge knot2).
CNLR y1 / PRED = predex1 /SAVE pred resid (residex1)
/ BOUNDS knot2 - knot1 > 0 .
PLOT /PLOT=residex1 y1 WITH predex1
/PLOT=predex1 WITH xa.
* EXAMPLE 2.
* In the second example, there is one knot at XA=15. The spline is
* continuous at the knot, but the order of the polynomial changes.
* Before the knot, the relationship is linear; after the knot, quadratic.
* Y2 is dep var for example 2, knot at 15, linear,quadratic.
COMPUTE y2 = 4 + 2*xa + normal(.5).
IF (xa gt 15) y2=y2 + (xa - 15) - .5*(xa-15)*(xa-15).
PLOT /PLOT=y2 with xa.
* In this model, we compute an intermediate term, pc2, to
* stand for the expression (xa GE knot1). This term is just
* used to avoid repetitive typing of the logical expression.
* Note that knot1 is still the parameter to be estimated.
MODEL PROGRAM ba0=4 ba1=2 bb1=1 bb2=-0.5 knot1=15 .
COMPUTE pc2 = (xa GE knot1).
COMPUTE predex2 = ba0 + ba1*xa + bb1*(xa-knot1)*pc2
+ bb2*((xa-knot1)**2)*pc2.
NLR y2 / PRED = predex2 /SAVE pred resid (residex2).
PLOT /PLOT=residex2 y2 with predex2
/PLOT=predex2 with xa.
* EXAMPLE 3.
* In the third example, there is one knot at XA=15. A cubic spline is
* fitted with the constraint that all second-order and lower-order
* derivatives are equal on both sides of the knot, which is equivalent to
* saying that only the cubic term of the function is adjusted after the
* knot. The continuity constraints are gradually relaxed in subsequent NLR
* runs that introduce the lower-order XB terms into the
* model. If you examine the correlations among the parameter estimates,
you
* will see that the latter 2 models are poorly identified as many of these
* correlations are very high. In the final model, some of the parameter
estimates
* are perfectly correlated. These models are shown here as illustrations
* of gradually loosening constraints in the model.
COMPUTE y3 = 6 + 3.5*xa - 1.5*xa*xa + .5*xa*xa*xa + normal(.5).
IF (xa gt 15) y3 = y3 - 2*(xa-15)*(xa-15)*(xa-15).
PLOT /PLOT=y3 with xa.
MODEL PROGRAM ba0=6 ba1=3.5 ba2=-1.5 ba3=0.5 bb3=-2 knot1=15 .
COMPUTE pc2 = (xa ge knot1).
COMPUTE predex3 = ba0 + ba1*xa + ba2*xa*xa + ba3*xa*xa*xa
+ bb3*((xa-knot1)**3)*pc2.
NLR y3 / PRED = predex3 /SAVE pred resid (residex3).
PLOT /PLOT=residex3 y3 with predex3
/PLOT=predex3 with xa.
* example 3 but with a quadratic term added to 2nd piece .
MODEL PROGRAM ba0=6 ba1=3.5 ba2=-1.5 ba3=0.5 bb2=0 bb3=-2 knot1=15 .
COMPUTE pc2 = (xa ge knot1).
COMPUTE pred = ba0 + ba1*xa + ba2*xa*xa + ba3*xa*xa*xa
+ bb2*((xa-knot1)**2)*pc2 + bb3*((xa-knot1)**3)*pc2.
NLR y3.
* example 3 but with a quadratic & linear term added to 2nd piece .
MODEL PROGRAM ba0=6 ba1=3.5 ba2=-1.5 ba3=0.5
bb1=0 bb2=0 bb3=-2 knot1=15 .
COMPUTE pc2 = (xa ge knot1).
COMPUTE pred = ba0 + ba1*xa + ba2*xa*xa + ba3*xa*xa*xa
+ bb1*(xa-knot1)*pc2 + bb2*((xa-knot1)**2)*pc2
+ bb3*((xa-knot1)**3)*pc2.
NLR y3.