Spline fitting is widely used in vast applications such as what you already have in your mind... :)
In this post, I will show some examples of spline fitting based on excellent code provided by Jonas Lundgren <splinefit@gmail.com>.
Basically, what is does is to find coefficients of some polynomials in some partitions of the input space. The boundary of each partition must be connected and smooth which serve as constraints in finding the coefficients.
Following is an example of spline fitting using different orders.
The input space is partitioned into 8 equally divided partitions. The whole function is modeled using piecewise polynomial structure provided by Matlab. (ppval is used)
One can also incorporate some constraints into the spline fitting such as fixing value of a function at certain point or fixing gradient of a function. (Actually I guess these are pretty much all it can do.) Anyway following is the result of a spline fitting given some constraints.
Furthermore, it can be used as a robust regression algorithm which I am not that familiar with.. Nevertheless, the results are amazing. As optimizing coefficient is done using least square method, I guess robust least square methods are applied.
Constraints are given as follows:
4 Constraints in spline fitting
1. y(0.0) is 1.0
2. y'(0.0) is 1.0
3. y(6.3) is 2.0
4. y'(6.3) is -1.0
Demo code
%%
% Copyright (c) 2014, Jonas Lundgren
% All rights reserved.
%
% Redistribution and use in source and binary forms, with or without
% modification, are permitted provided that the following conditions are
% met:
%
% * Redistributions of source code must retain the above copyright
% notice, this list of conditions and the following disclaimer.
% * Redistributions in binary form must reproduce the above copyright
% notice, this list of conditions and the following disclaimer in
% the documentation and/or other materials provided with the distribution
%
% THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
% AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
% IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
% ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE
% LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
% CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF
% SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
% INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
% CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
% ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
% POSSIBILITY OF SUCH DAMAGE.
%% 1. 다른 order의 spline fitting
clc; clear; close all;
% Data (50 points)
x = 2*pi*rand(1,50);
y = sin(x) + sin(2*x) + 0.1*randn(size(x));
% Breaks
breaks = linspace(0,2*pi,10);
% Splines
pp1 = splinefit(x, y, breaks, 1); % Piecewise constant
pp2 = splinefit(x, y, breaks, 2); % Piecewise linear
pp3 = splinefit(x, y, breaks, 3); % Piecewise quadratic
pp4 = splinefit(x, y, breaks, 4); % Piecewise cubic
pp5 = splinefit(x, y, breaks, 5); % Etc.
xx = linspace(0,2*pi,400);
y1 = ppval(pp1,xx);
y2 = ppval(pp2,xx);
y3 = ppval(pp3,xx);
y4 = ppval(pp4,xx);
y5 = ppval(pp5,xx);
% Plot
colors = vary_color(5);
figure(1); hold on;
for i = 1:length(breaks)
bx = breaks(i);
plot([bx bx], [-2 2], 'k--');
end
hd = plot(x,y,'kx', 'MarkerSize', 13, 'LineWidth', 2);
h1 = plot(xx, y1, '-', 'LineWidth', 2, 'Color', colors(1, :));
h2 = plot(xx, y2, '--', 'LineWidth', 2, 'Color', colors(2, :));
h3 = plot(xx, y3, ':', 'LineWidth', 2, 'Color', colors(3, :));
h4 = plot(xx, y4, '-', 'LineWidth', 2, 'Color', colors(4, :));
h5 = plot(xx, y5, '--', 'LineWidth', 2, 'Color', colors(5, :));
% grid on;
axis([0 2*pi -2 2]);
hleg = legend([hd h1 h2 h3 h4 h5], 'data','order 1','order 2','order 3','order 4','order 5');
set(hleg, 'FontSize', 12);
title('EXAMPLE 1: Spline orders', 'FontSize', 15);
%% 2. Constraint가 있는 상황에서 spline fitting
clc; clear; close all;
% Data (100 points)
x = 2*pi*rand(1,100);
y = sin(2*x) + 0.1*randn(size(x));
% Breaks
breaks = linspace(0,2*pi,10);
% Clamped endpoints, y = y' = 0
xc = [0,0,2*pi,2*pi];
cc = [eye(2),eye(2)];
yc = [1 1 2 -1];
con = struct('xc',xc,'cc',cc, 'yc', yc);
pp1 = splinefit(x, y, breaks, con);
xx = linspace(0,2*pi,400);
y1 = ppval(pp1,xx);
pp1
% Plot
figure(2); hold on;
for i = 1:length(breaks)
bx = breaks(i);
plot([bx bx], [-2 2], 'k--');
end
plot(x, y, 'x', 'LineWidth', 2, 'MarkerSize', 12);
plot(xx, y1, 'r', 'LineWidth', 2);
% grid on
title('EXAMPLE 2: Constraints', 'FontSize', 15);
axis([0 2*pi -2 2]);
fprintf('%d Constraints in spline fitting \n', length(yc));
for i = 1:length(yc)
x = xc(i);
y = yc(i);
if cc(1, i) == 1
cc_str = ' y';
end
if cc(2, i) == 1
cc_str = 'y''';
end
fprintf('%d. %s(%.1f) is %.1f \n', i, cc_str, xc(i), y);
end
"the most important" splinefit function
function pp = splinefit(varargin)
%SPLINEFIT Fit a spline to noisy data.
% PP = SPLINEFIT(X,Y,BREAKS) fits a piecewise cubic spline with breaks
% (knots) BREAKS to the noisy data (X,Y). X is a vector and Y is a vector
% or an ND array. If Y is an ND array, then X(j) and Y(:,...,:,j) are
% matched. Use PPVAL to evaluate PP.
%
% PP = SPLINEFIT(X,Y,P) where P is a positive integer interpolates the
% breaks linearly from the sorted locations of X. P is the number of
% spline pieces and P+1 is the number of breaks.
%
% OPTIONAL INPUT
% Argument places 4 to 8 are reserved for optional input.
% These optional arguments can be given in any order:
%
% PP = SPLINEFIT(...,'p') applies periodic boundary conditions to
% the spline. The period length is MAX(BREAKS)-MIN(BREAKS).
%
% PP = SPLINEFIT(...,'r') uses robust fitting to reduce the influence
% from outlying data points. Three iterations of weighted least squares
% are performed. Weights are computed from previous residuals.
%
% PP = SPLINEFIT(...,BETA), where 0 < BETA < 1, sets the robust fitting
% parameter BETA and activates robust fitting ('r' can be omitted).
% Default is BETA = 1/2. BETA close to 0 gives all data equal weighting.
% Increase BETA to reduce the influence from outlying data. BETA close
% to 1 may cause instability or rank deficiency.
%
% PP = SPLINEFIT(...,N) sets the spline order to N. Default is a cubic
% spline with order N = 4. A spline with P pieces has P+N-1 degrees of
% freedom. With periodic boundary conditions the degrees of freedom are
% reduced to P.
%
% PP = SPLINEFIT(...,CON) applies linear constraints to the spline.
% CON is a structure with fields 'xc', 'yc' and 'cc':
% 'xc', x-locations (vector)
% 'yc', y-values (vector or ND array)
% 'cc', coefficients (matrix).
%
% Constraints are linear combinations of derivatives of order 0 to N-2
% according to
%
% cc(1,j)*y(x) + cc(2,j)*y'(x) + ... = yc(:,...,:,j), x = xc(j).
%
% The maximum number of rows for 'cc' is N-1. If omitted or empty 'cc'
% defaults to a single row of ones. Default for 'yc' is a zero array.
%
% EXAMPLES
%
% % Noisy data
% x = linspace(0,2*pi,100);
% y = sin(x) + 0.1*randn(size(x));
% % Breaks
% breaks = [0:5,2*pi];
%
% % Fit a spline of order 5
% pp = splinefit(x,y,breaks,5);
%
% % Fit a spline of order 3 with periodic boundary conditions
% pp = splinefit(x,y,breaks,3,'p');
%
% % Constraints: y(0) = 0, y'(0) = 1 and y(3) + y"(3) = 0
% xc = [0 0 3];
% yc = [0 1 0];
% cc = [1 0 1; 0 1 0; 0 0 1];
% con = struct('xc',xc,'yc',yc,'cc',cc);
%
% % Fit a cubic spline with 8 pieces and constraints
% pp = splinefit(x,y,8,con);
%
% % Fit a spline of order 6 with constraints and periodicity
% pp = splinefit(x,y,breaks,con,6,'p');
%
% See also SPLINE, PPVAL, PPDIFF, PPINT
% Author: Jonas Lundgren <splinefit@gmail.com> 2010
% 2009-05-06 Original SPLINEFIT.
% 2010-06-23 New version of SPLINEFIT based on B-splines.
% 2010-09-01 Robust fitting scheme added.
% 2010-09-01 Support for data containing NaNs.
% 2011-07-01 Robust fitting parameter added.
% Check number of arguments
error(nargchk(3,7,nargin));
% Check arguments
[x,y,dim,breaks,n,periodic,beta,constr] = arguments(varargin{:});
% Evaluate B-splines
base = splinebase(breaks,n);
pieces = base.pieces;
A = ppval(base,x);
% Bin data
[junk,ibin] = histc(x,[-inf,breaks(2:end-1),inf]); %#ok
% Sparse system matrix
mx = numel(x);
ii = [ibin; ones(n-1,mx)];
ii = cumsum(ii,1);
jj = repmat(1:mx,n,1);
if periodic
ii = mod(ii-1,pieces) + 1;
A = sparse(ii,jj,A,pieces,mx);
else
A = sparse(ii,jj,A,pieces+n-1,mx);
end
% Don't use the sparse solver for small problems
if pieces < 20*n/log(1.7*n)
A = full(A);
end
% Solve
if isempty(constr)
% Solve Min norm(u*A-y)
u = lsqsolve(A,y,beta);
else
% Evaluate constraints
B = evalcon(base,constr,periodic);
% Solve constraints
[Z,u0] = solvecon(B,constr);
% Solve Min norm(u*A-y), subject to u*B = yc
y = y - u0*A;
A = Z*A;
v = lsqsolve(A,y,beta);
u = u0 + v*Z;
end
% Periodic expansion of solution
if periodic
jj = mod(0:pieces+n-2,pieces) + 1;
u = u(:,jj);
end
% Compute polynomial coefficients
ii = [repmat(1:pieces,1,n); ones(n-1,n*pieces)];
ii = cumsum(ii,1);
jj = repmat(1:n*pieces,n,1);
C = sparse(ii,jj,base.coefs,pieces+n-1,n*pieces);
coefs = u*C;
coefs = reshape(coefs,[],n);
% Make piecewise polynomial
pp = mkpp(breaks,coefs,dim);
%--------------------------------------------------------------------------
function [x,y,dim,breaks,n,periodic,beta,constr] = arguments(varargin)
%ARGUMENTS Lengthy input checking
% x Noisy data x-locations (1 x mx)
% y Noisy data y-values (prod(dim) x mx)
% dim Leading dimensions of y
% breaks Breaks (1 x (pieces+1))
% n Spline order
% periodic True if periodic boundary conditions
% beta Robust fitting parameter, no robust fitting if beta = 0
% constr Constraint structure
% constr.xc x-locations (1 x nx)
% constr.yc y-values (prod(dim) x nx)
% constr.cc Coefficients (?? x nx)
% Reshape x-data
x = varargin{1};
mx = numel(x);
x = reshape(x,1,mx);
% Remove trailing singleton dimensions from y
y = varargin{2};
dim = size(y);
while numel(dim) > 1 && dim(end) == 1
dim(end) = [];
end
my = dim(end);
% Leading dimensions of y
if numel(dim) > 1
dim(end) = [];
else
dim = 1;
end
% Reshape y-data
pdim = prod(dim);
y = reshape(y,pdim,my);
% Check data size
if mx ~= my
mess = 'Last dimension of array y must equal length of vector x.';
error('arguments:datasize',mess)
end
% Treat NaNs in x-data
inan = find(isnan(x));
if ~isempty(inan)
x(inan) = [];
y(:,inan) = [];
mess = 'All data points with NaN as x-location will be ignored.';
warning('arguments:nanx',mess)
end
% Treat NaNs in y-data
inan = find(any(isnan(y),1));
if ~isempty(inan)
x(inan) = [];
y(:,inan) = [];
mess = 'All data points with NaN in their y-value will be ignored.';
warning('arguments:nany',mess)
end
% Check number of data points
mx = numel(x);
if mx == 0
error('arguments:nodata','There must be at least one data point.')
end
% Sort data
if any(diff(x) < 0)
[x,isort] = sort(x);
y = y(:,isort);
end
% Breaks
if isscalar(varargin{3})
% Number of pieces
p = varargin{3};
if ~isreal(p) || ~isfinite(p) || p < 1 || fix(p) < p
mess = 'Argument #3 must be a vector or a positive integer.';
error('arguments:breaks1',mess)
end
if x(1) < x(end)
% Interpolate breaks linearly from x-data
dx = diff(x);
ibreaks = linspace(1,mx,p+1);
[junk,ibin] = histc(ibreaks,[0,2:mx-1,mx+1]); %#ok
breaks = x(ibin) + dx(ibin).*(ibreaks-ibin);
else
breaks = x(1) + linspace(0,1,p+1);
end
else
% Vector of breaks
breaks = reshape(varargin{3},1,[]);
if isempty(breaks) || min(breaks) == max(breaks)
mess = 'At least two unique breaks are required.';
error('arguments:breaks2',mess);
end
end
% Unique breaks
if any(diff(breaks) <= 0)
breaks = unique(breaks);
end
% Optional input defaults
n = 4; % Cubic splines
periodic = false; % No periodic boundaries
robust = false; % No robust fitting scheme
beta = 0.5; % Robust fitting parameter
constr = []; % No constraints
% Loop over optional arguments
for k = 4:nargin
a = varargin{k};
if ischar(a) && isscalar(a) && lower(a) == 'p'
% Periodic conditions
periodic = true;
elseif ischar(a) && isscalar(a) && lower(a) == 'r'
% Robust fitting scheme
robust = true;
elseif isreal(a) && isscalar(a) && isfinite(a) && a > 0 && a < 1
% Robust fitting parameter
beta = a;
robust = true;
elseif isreal(a) && isscalar(a) && isfinite(a) && a > 0 && fix(a) == a
% Spline order
n = a;
elseif isstruct(a) && isscalar(a)
% Constraint structure
constr = a;
else
error('arguments:nonsense','Failed to interpret argument #%d.',k)
end
end
% No robust fitting
if ~robust
beta = 0;
end
% Check exterior data
h = diff(breaks);
xlim1 = breaks(1) - 0.01*h(1);
xlim2 = breaks(end) + 0.01*h(end);
if x(1) < xlim1 || x(end) > xlim2
if periodic
% Move data inside domain
P = breaks(end) - breaks(1);
x = mod(x-breaks(1),P) + breaks(1);
% Sort
[x,isort] = sort(x);
y = y(:,isort);
else
mess = 'Some data points are outside the spline domain.';
warning('arguments:exteriordata',mess)
end
end
% Return
if isempty(constr)
return
end
% Unpack constraints
xc = [];
yc = [];
cc = [];
names = fieldnames(constr);
for k = 1:numel(names)
switch names{k}
case {'xc'}
xc = constr.xc;
case {'yc'}
yc = constr.yc;
case {'cc'}
cc = constr.cc;
otherwise
mess = 'Unknown field ''%s'' in constraint structure.';
warning('arguments:unknownfield',mess,names{k})
end
end
% Check xc
if isempty(xc)
mess = 'Constraints contains no x-locations.';
error('arguments:emptyxc',mess)
else
nx = numel(xc);
xc = reshape(xc,1,nx);
end
% Check yc
if isempty(yc)
% Zero array
yc = zeros(pdim,nx);
elseif numel(yc) == 1
% Constant array
yc = zeros(pdim,nx) + yc;
elseif numel(yc) ~= pdim*nx
% Malformed array
error('arguments:ycsize','Cannot reshape yc to size %dx%d.',pdim,nx)
else
% Reshape array
yc = reshape(yc,pdim,nx);
end
% Check cc
if isempty(cc)
cc = ones(size(xc));
elseif numel(size(cc)) ~= 2
error('arguments:ccsize1','Constraint coefficients cc must be 2D.')
elseif size(cc,2) ~= nx
mess = 'Last dimension of cc must equal length of xc.';
error('arguments:ccsize2',mess)
end
% Check high order derivatives
if size(cc,1) >= n
if any(any(cc(n:end,:)))
mess = 'Constraints involve derivatives of order %d or larger.';
error('arguments:difforder',mess,n-1)
end
cc = cc(1:n-1,:);
end
% Check exterior constraints
if min(xc) < xlim1 || max(xc) > xlim2
if periodic
% Move constraints inside domain
P = breaks(end) - breaks(1);
xc = mod(xc-breaks(1),P) + breaks(1);
else
mess = 'Some constraints are outside the spline domain.';
warning('arguments:exteriorconstr',mess)
end
end
% Pack constraints
constr = struct('xc',xc,'yc',yc,'cc',cc);
%--------------------------------------------------------------------------
function pp = splinebase(breaks,n)
%SPLINEBASE Generate B-spline base PP of order N for breaks BREAKS
breaks = breaks(:); % Breaks
breaks0 = breaks'; % Initial breaks
h = diff(breaks); % Spacing
pieces = numel(h); % Number of pieces
deg = n - 1; % Polynomial degree
% Extend breaks periodically
if deg > 0
if deg <= pieces
hcopy = h;
else
hcopy = repmat(h,ceil(deg/pieces),1);
end
% to the left
hl = hcopy(end:-1:end-deg+1);
bl = breaks(1) - cumsum(hl);
% and to the right
hr = hcopy(1:deg);
br = breaks(end) + cumsum(hr);
% Add breaks
breaks = [bl(deg:-1:1); breaks; br];
h = diff(breaks);
pieces = numel(h);
end
% Initiate polynomial coefficients
coefs = zeros(n*pieces,n);
coefs(1:n:end,1) = 1;
% Expand h
ii = [1:pieces; ones(deg,pieces)];
ii = cumsum(ii,1);
ii = min(ii,pieces);
H = h(ii(:));
% Recursive generation of B-splines
for k = 2:n
% Antiderivatives of splines
for j = 1:k-1
coefs(:,j) = coefs(:,j).*H/(k-j);
end
Q = sum(coefs,2);
Q = reshape(Q,n,pieces);
Q = cumsum(Q,1);
c0 = [zeros(1,pieces); Q(1:deg,:)];
coefs(:,k) = c0(:);
% Normalize antiderivatives by max value
fmax = repmat(Q(n,:),n,1);
fmax = fmax(:);
for j = 1:k
coefs(:,j) = coefs(:,j)./fmax;
end
% Diff of adjacent antiderivatives
coefs(1:end-deg,1:k) = coefs(1:end-deg,1:k) - coefs(n:end,1:k);
coefs(1:n:end,k) = 0;
end
% Scale coefficients
scale = ones(size(H));
for k = 1:n-1
scale = scale./H;
coefs(:,n-k) = scale.*coefs(:,n-k);
end
% Reduce number of pieces
pieces = pieces - 2*deg;
% Sort coefficients by interval number
ii = [n*(1:pieces); deg*ones(deg,pieces)];
ii = cumsum(ii,1);
coefs = coefs(ii(:),:);
% Make piecewise polynomial
pp = mkpp(breaks0,coefs,n);
%--------------------------------------------------------------------------
function B = evalcon(base,constr,periodic)
%EVALCON Evaluate linear constraints
% Unpack structures
breaks = base.breaks;
pieces = base.pieces;
n = base.order;
xc = constr.xc;
cc = constr.cc;
% Bin data
[junk,ibin] = histc(xc,[-inf,breaks(2:end-1),inf]); %#ok
% Evaluate constraints
nx = numel(xc);
B0 = zeros(n,nx);
for k = 1:size(cc,1)
if any(cc(k,:))
B0 = B0 + repmat(cc(k,:),n,1).*ppval(base,xc);
end
% Differentiate base
coefs = base.coefs(:,1:n-k);
for j = 1:n-k-1
coefs(:,j) = (n-k-j+1)*coefs(:,j);
end
base.coefs = coefs;
base.order = n-k;
end
% Sparse output
ii = [ibin; ones(n-1,nx)];
ii = cumsum(ii,1);
jj = repmat(1:nx,n,1);
if periodic
ii = mod(ii-1,pieces) + 1;
B = sparse(ii,jj,B0,pieces,nx);
else
B = sparse(ii,jj,B0,pieces+n-1,nx);
end
%--------------------------------------------------------------------------
function [Z,u0] = solvecon(B,constr)
%SOLVECON Find a particular solution u0 and null space Z (Z*B = 0)
% for constraint equation u*B = yc.
yc = constr.yc;
tol = 1000*eps;
% Remove blank rows
ii = any(B,2);
B2 = full(B(ii,:));
% Null space of B2
if isempty(B2)
Z2 = [];
else
% QR decomposition with column permutation
[Q,R,dummy] = qr(B2); %#ok
R = abs(R);
jj = all(R < R(1)*tol, 2);
Z2 = Q(:,jj)';
end
% Sizes
[m,ncon] = size(B);
m2 = size(B2,1);
nz = size(Z2,1);
% Sparse null space of B
Z = sparse(nz+1:nz+m-m2,find(~ii),1,nz+m-m2,m);
Z(1:nz,ii) = Z2;
% Warning rank deficient
if nz + ncon > m2
mess = 'Rank deficient constraints, rank = %d.';
warning('solvecon:deficient',mess,m2-nz);
end
% Particular solution
u0 = zeros(size(yc,1),m);
if any(yc(:))
% Non-homogeneous case
u0(:,ii) = yc/B2;
% Check solution
if norm(u0*B - yc,'fro') > norm(yc,'fro')*tol
mess = 'Inconsistent constraints. No solution within tolerance.';
error('solvecon:inconsistent',mess)
end
end
%--------------------------------------------------------------------------
function u = lsqsolve(A,y,beta)
%LSQSOLVE Solve Min norm(u*A-y)
% Avoid sparse-complex limitations
if issparse(A) && ~isreal(y)
A = full(A);
end
% Solution
u = y/A;
% Robust fitting
if beta > 0
[m,n] = size(y);
alpha = 0.5*beta/(1-beta)/m;
for k = 1:3
% Residual
r = u*A - y;
rr = r.*conj(r);
rrmean = sum(rr,2)/n;
rrmean(~rrmean) = 1;
rrhat = (alpha./rrmean)'*rr;
% Weights
w = exp(-rrhat);
spw = spdiags(w',0,n,n);
% Solve weighted problem
u = (y*spw)/(A*spw);
end
end
Notes
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