Inverse of sum of two matrices - c++

I am trying to implement a code to compute the inverse of a sum of two matrices. My algorithm is recursive, and I need to use a loop for() I tried to do in R, but my code is very slow. Then, I am trying to do using RcppArmadillo, but my code is very very slow. I think I am doing some thing wrong. Let me show my R code.
mySolveR <- function(A,B){
ncol = dim(B)[1]
ZERO.B <- Matrix(0,ncol = ncol, nrow = ncol)
invCi <- A
for(i in 1:ncol){
ZERO.B[,i] <- B[,i]
gi <- 1/(1 + sum(diag(ZERO.B%*%invCi)))
invCi <- invCi - gi*(invCi%*%ZERO.B%*%invCi)
ZERO.B[,i] <- 0
}
return(invCi)}
And now my C++ code using RcppArmadillo.
src <- '
Rcpp::NumericMatrix Ac(A); // creates Rcpp matrix from SEXP
Rcpp::NumericMatrix Bc(B);
int n = Ac.nrow(), k = Ac.ncol();
arma::mat A(Ac.begin(), n, k, false); // reuses memory and avoids extra copy
arma::mat B(Bc.begin(), n, k, false);
arma::mat Z(n,k);
Z.zeros();
arma::mat invCi = A;
for( int i = 0 ; i < n ; i++){
Z.col(i) = B.col(i);
double gi = 1/(1 + trace(Z*invCi));
invCi = invCi - gi*(invCi*Z*invCi);
Z.zeros() ;
}
return wrap(invCi);'
I am using the inline package to compile my function.
mySolveCpp <- cxxfunction(signature(A = "numeric", B = "numeric"),
src, plugin="RcppArmadillo")
Now consider the following easy example,
A <- diag(5)
B <- matrix(c(1,-1,0,0,0, -1, 2, -1,0,0, 0,-1,2,-1,0,
0,0,-1,2,-1, 0,0,0,-1,1),5,5)
Using my function to compute the inverse of A + B
mySolveCpp(A,B)
mySolveR(A,B)
You can see my functions work well, in this small example. But I would like to apply this algorithm for a matrix around 15000 x 15000. In this case my R code does not work and my C++ code is very slow, spends hours to compute the inverse. I would like to know if is possible to improve my C++ code to deal with big matrix, as 15000 x 15000.
Best

Have you tried solve()?
A <- diag(5)
B <- matrix(c(1,-1,0,0,0, -1, 2, -1,0,0, 0,-1,2,-1,0,0,0,-1,2,-1, 0,0,0,-1,1),5,5)
solve(A+B)
For sparse Matrix objects:
As=Matrix(A)
Bs=Matrix(B)
solve(As+Bs)
5 x 5 Matrix of class "dsyMatrix"
[,1] [,2] [,3] [,4] [,5]
[1,] 0.61818182 0.23636364 0.09090909 0.03636364 0.01818182
[2,] 0.23636364 0.47272727 0.18181818 0.07272727 0.03636364
[3,] 0.09090909 0.18181818 0.45454545 0.18181818 0.09090909
[4,] 0.03636364 0.07272727 0.18181818 0.47272727 0.23636364
[5,] 0.01818182 0.03636364 0.09090909 0.23636364 0.61818182

I'm more comfortable with Eigen and can get some speed-up without changing the algorithm:
src2 <- '
using Eigen::Map;
using Eigen::MatrixXd;
using Rcpp::as;
const Map<MatrixXd> A(as<Map<MatrixXd> >(AA));
const Map<MatrixXd> B(as<Map<MatrixXd> >(BB));
const int n = A.rows(), k = A.cols();
MatrixXd Z(n,k), C(n,k);
const MatrixXd Z0 = Z.setZero();
MatrixXd invCi = A;
double gi;
for( int i = 0 ; i < n ; i++){
Z.col(i) = B.col(i);
C = Z*invCi;
gi = 1/(1 + C.trace());
invCi -= gi*(invCi*C);
Z=Z0;
}
return wrap(invCi);'
mySolveCpp2 <- cxxfunction(signature(AA = "matrix", BB = "matrix"),
src2, plugin="RcppEigen")
set.seed(42)
A <- matrix(rnorm(1e4), 1e2)
B <- matrix(rnorm(1e4), 1e2)
all.equal(
mySolveCpp(A,B),
mySolveCpp2(A,B))
#[1] TRUE
library(microbenchmark)
microbenchmark(mySolveCpp(A,B),
mySolveCpp2(A,B), times=10)
#Unit: milliseconds
# expr min lq median uq max neval
# mySolveCpp(A, B) 129.51222 129.62216 132.68336 136.67307 137.43591 10
# mySolveCpp2(A, B) 46.76913 47.26311 47.96435 50.12505 61.82288 10

Related

Multiplying complex matrices in R using C++

Suppose that A is a complex matrix. I am interested in computing the product A%*%Conj(t(A)) in R efficiently. As far as I understand, using C++ would speed up things significantly, so that is what I am trying to do.
I have the following code for real matrices that I can use in R.
library(Rcpp);
library(inline);
library(RcppEigen);
crossprodCpp <- '
using Eigen::Map;
using Eigen::MatrixXd;
using Eigen::Lower;
const Map<MatrixXd> A(as<Map<MatrixXd> >(AA));
const int m(A.rows());
MatrixXd AAt(MatrixXd(m, m).setZero().selfadjointView<Lower>().rankUpdate(A));
return wrap(AAt);
'
fcprd <- cxxfunction(signature(AA = "matrix"), crossprodCpp, "RcppEigen")
A<-matrix(rnorm(100^2),100)
all.equal(fcprd(A),tcrossprod(A))
fcprd(A) runs much faster on my laptop than tcrossprod(A). This is what I get for A<-matrix(rnorm(1000^2),1000):
microbenchmark::microbenchmark('tcrossprod(A)'=tcrossprod(A),'A%*%t(A)'=A%*%t(A),fcprd=fcprd(A))
Unit: milliseconds
expr min lq mean median uq max neval
tcrossprod(A) 428.06452 435.9700 468.9323 448.8168 504.2628 618.7681 100
A%*%t(A) 722.24053 736.6197 775.4814 767.7668 809.8356 903.8592 100
fcprd 95.04678 100.0733 111.5021 103.6616 107.2551 197.4479 100
However, this code only works for matrices with double precision entries. How could I modify this code so that it works for complex matrices?
I have a very limited knowledge of programming, but I am trying to learn.
Any help is much appreciated!
The Eigen library supports also complex entries via Eigen::MatrixXcd. So in principle it should work if you replace MatrixXd with MatrixXcd. However, this does not compile probably because there is no as-function for complex matrices using Map (c.f. https://github.com/RcppCore/RcppEigen/blob/master/inst/unitTests/runit.RcppEigen.R#L205). The as-function are needed to convert between R data types and C++/Eigen data types (c.f. http://dirk.eddelbuettel.com/code/rcpp/Rcpp-extending.pdf). If you do not use Map, then you can use this:
crossprodCpp <- '
using Eigen::MatrixXcd;
using Eigen::Lower;
const MatrixXcd A(as<MatrixXcd>(AA));
const int m(A.rows());
MatrixXcd AAt(MatrixXcd(m, m).setZero().selfadjointView<Lower>().rankUpdate(A));
return wrap(AAt);
'
fcprd <- inline::cxxfunction(signature(AA = "matrix"), crossprodCpp, "RcppEigen")
N <- 100
A <- matrix(complex(real = rnorm(N), imaginary = rnorm(N)), N)
all.equal(fcprd(A), A %*% Conj(t(A)))
However, this is slower than the base R version in my tests:
N <- 1000
A <- matrix(complex(real = rnorm(N * N), imaginary = rnorm(N * N)), N)
all.equal(fcprd(A), A %*% Conj(t(A)))
#> [1] TRUE
microbenchmark::microbenchmark(base = A %*% Conj(t(A)), eigen = fcprd(A))
#> Unit: milliseconds
#> expr min lq mean median uq max neval
#> base 111.6512 124.4490 145.7583 140.9199 160.3420 241.8986 100
#> eigen 453.6702 501.5419 535.0192 537.2925 564.8746 628.4999 100
Note that matrix multiplication in R is done via BLAS. However, the default BLAS implementation used by R is not very fast. One way to improve R's performance is to use an optimized BLAS library, c.f. https://csgillespie.github.io/efficientR/set-up.html#blas-and-alternative-r-interpreters.
Alternatively you can use the BLAS function zherk if you have a full BLAS available. Very rough:
dyn.load("/usr/lib/libblas.so")
zherk <- function(a, uplo = 'u', trans = 'n') {
n <- nrow(a)
k <- ncol(a)
c <- matrix(complex(real = 0, imaginary = 0), nrow = n, ncol = n)
z <- .Fortran("zherk",
uplo = as.character(uplo),
trans = as.character(trans),
n = as.integer(n),
k = as.integer(k),
alpha = as.double(1),
a = as.complex(a),
lda = as.integer(n),
beta = as.double(0),
c = as.complex(c),
ldc = as.integer(n))
matrix(z$c, nrow = n, ncol = n)
}
N <- 2
A <- matrix(complex(real = rnorm(N * N), imaginary = rnorm(N * N)), N)
zherk(A, uplo = "l") - A %*% Conj(t(A))
Note that this fills only the upper (or lower) triangular part but is quite fast:
microbenchmark::microbenchmark(base = A %*% Conj(t(A)), blas = zherk(A))
#> Unit: milliseconds
#> expr min lq mean median uq max neval
#> base 112.5588 117.12531 146.10026 138.37565 167.6811 282.3564 100
#> blas 66.9541 70.12438 91.44617 82.74522 108.4979 188.3728 100
Here is a way to bind an Eigen::Map<Eigen::MatrixXcd> object in Rcpp. The solution works in a R package setup, but I'm not sure about an easy way to put it together using the inline library.
First, you need to provide the following specialization in your inst/include/mylib.h such that this header get included in the RcppExports.cpp:
#include <complex>
#include <Eigen/Core>
#include <Eigen/Dense>
#include <Rcpp.h>
namespace Rcpp {
namespace traits {
template<>
class Exporter<Eigen::Map<Eigen::Matrix<std::complex<double>, Eigen::Dynamic, Eigen::Dynamic> > > {
using OUT = typename Eigen::Map<Eigen::Matrix<std::complex<double>, Eigen::Dynamic, Eigen::Dynamic> >;
const static int RTYPE = ::Rcpp::traits::r_sexptype_traits<std::complex<double>>::rtype;
Rcpp::Vector<RTYPE> vec;
int d_ncol, d_nrow;
public:
Exporter(SEXP x)
: vec(x), d_ncol(1)
, d_nrow(Rf_xlength(x)) {
if (TYPEOF(x) != RTYPE)
throw std::invalid_argument("Wrong R type for mapped matrix");
if (::Rf_isMatrix(x)) {
int* dims = INTEGER(::Rf_getAttrib(x, R_DimSymbol));
d_nrow = dims[0];
d_ncol = dims[1];
}
}
OUT get() { return OUT(reinterpret_cast<std::complex<double>*>(vec.begin()), d_nrow, d_ncol); }
};
}}
The only difference with the unspecialized Exporter available in RcppEigenWrap.h being the reinterpret_cast on the last line. Both std::complex and Rcomplex having C99 complex compatible types, they are supposed to have identical memory layouts regardless of the implementation.
Wrapping it up, you can now create your function as:
// [[Rcpp::export]]
Eigen::MatrixXd selfadj_mult(const Eigen::Map<Eigen::MatrixXcd>& mat) {
Eigen::MatrixXd result = (mat * mat.adjoint()).real();
return result;
}
and then invoke the function in R as:
library(mylib)
library(microbenchmark)
N <- 1000
A <- matrix(complex(real = rnorm(N * N), imaginary = rnorm(N * N)), N)
microbenchmark::microbenchmark(
base = A %*% Conj(t(A))
, eigen = mylib::selfadj_mult(A)
, times = 100L
)
the code is compiled on centos7/gcc83 with -O3 -DNDEBUG -flto -march=generic. R has been build from source with the exact same compiler/flags (using the default BLAS binding). Results are:
Unit: seconds
expr min lq mean median uq max neval
base 2.9030320 2.9045865 2.9097162 2.9053835 2.9093232 2.9614318 100
eigen 1.1978697 1.2004888 1.2134219 1.2031046 1.2057647 1.3035751 100

Extract elements from a matrix based on the row and column indices with Armadillo

In R, I could extract matrix elements based on their indices as follow
> m <- matrix(1:6, nrow = 3)
> m
[,1] [,2]
[1,] 1 4
[2,] 2 5
[3,] 3 6
> row_index <- c(1, 2)
> col_index <- c(2, 2)
> m[cbind(row_index, col_index)]
[1] 4 5
Is there a native way to do this is Armadillo / Rcpp::Armadillo? The best I could do is a custom function that uses the row and column indices to calculate the element index (see below). I'm mostly worried that custom function won't perform as well.
#include <RcppArmadillo.h>
using namespace Rcpp;
// [[Rcpp::depends(RcppArmadillo)]]
// [[Rcpp::export]]
NumericVector Rsubmatrix(arma::uvec rowInd, arma::uvec colInd, arma::mat m) {
arma::uvec ind = (colInd - 1) * m.n_rows + (rowInd - 1);
arma::vec ret = m.elem(ind);
return wrap(ret);
}
/*** R
Rsubmatrix(row_index, col_index, m)
/
From the docs:
X.submat( vector_of_row_indices, vector_of_column_indices )
but that seems to only return matrix blocks. For non-simply-connected regions, I think your solution is the best, but you don't really need a function,
m.elem((colInd - 1) * m.n_rows + (rowInd - 1));
returns the vector without any problem. For clarity you could define a function to deal with the row+col to indices conversion,
inline arma::uvec arr2ind(arma::uvec c, arma::uvec r, int nrow)
{
return c * nrow + r;
}
// m.elem(arr2ind(colInd - 1, rowInd - 1, m.n_rows));
Let's try this...
In particular, you can subset by rowInd and colInd through writing your own loop to use the .(i,j) subset operator. Otherwise, the only other option is the solution that you proposed to start the question off...
#include <RcppArmadillo.h>
using namespace Rcpp;
// [[Rcpp::depends(RcppArmadillo)]]
// Optimized OP method
// [[Rcpp::export]]
arma::vec Rsubmatrix(const arma::mat& m, const arma::uvec& rowInd, const arma::uvec& colInd) {
return m.elem((colInd - 1) * m.n_rows + (rowInd - 1));
}
// Proposed Alternative
// [[Rcpp::export]]
arma::rowvec get_elements(const arma::mat& m, const arma::uvec& rowInd, const arma::uvec& colInd){
unsigned int n = rowInd.n_elem;
arma::rowvec out(n);
for(unsigned int i = 0; i < n; i++){
out(i) = m(rowInd[i]-1,colInd[i]-1);
}
return out;
}
Where:
m <- matrix(1:6, nrow = 3)
row_index <- c(1, 2)
col_index <- c(2, 2)
m[cbind(row_index, col_index)]
Gives:
[1] 4 5
And we have:
get_elements(m, row_index, col_index)
Giving:
[,1] [,2]
[1,] 4 5
Edit
Microbenchmark:
microbenchmark(Rsubmatrix(m, row_index, col_index), get_elements(m, row_index, col_index), times = 1e4)
Gives:
Unit: microseconds
expr min lq mean median uq max neval
Rsubmatrix(m, row_index, col_index) 2.836 3.111 4.129051 3.281 3.502 5016.652 10000
get_elements(m, row_index, col_index) 2.699 2.947 3.436844 3.115 3.335 716.742 10000
The methods are both close time wise. Note that the later should be better as it avoids having two separate loops (1. to calculate & 2. to subset) and an additional temporary vector created to store the results.
Edit
Per armadillo 7.200.0 release, the sub2ind() function has received the ability to take matrix notation. This function takes a matrix subscript via a 2 x n matrix, where n denotes the number of elements to subset, and converts them into element notation.
#include <RcppArmadillo.h>
// [[Rcpp::depends(RcppArmadillo)]]
// [[Rcpp::export]]
arma::rowvec matrix_locs(arma::mat M, arma::umat locs) {
arma::uvec eids = sub2ind( size(M), locs ); // Obtain Element IDs
arma::vec v = M.elem( eids ); // Values of the Elements
return v.t(); // Transpose to mimic R
}
Calling in R:
cpp_locs <- locs - 1 # Shift indices from R to C++
(cpp_locs <- t(cpp_locs)) # Transpose matrix for 2 x n form
matrix_locs(M, cpp_locs) # Subset the matrix

Matrix multiplication in Rcpp

First of all, I am a novice user so forget my general ignorance. I am looking for a faster alternative to the %*% operator in R. Even though older posts suggest the use of RcppArmadillo, I have tried for 2 hours to make RcppArmadillo work without success. I always run into lexical issues that yield 'unexpected ...' errors. I have found the following function in Rcpp which I do can make work:
library(Rcpp)
func <- '
NumericMatrix mmult( NumericMatrix m , NumericMatrix v, bool byrow=true )
{
if( ! m.nrow() == v.nrow() ) stop("Non-conformable arrays") ;
if( ! m.ncol() == v.ncol() ) stop("Non-conformable arrays") ;
NumericMatrix out(m) ;
for (int i = 0; i < m.nrow(); i++)
{
for (int j = 0; j < m.ncol(); j++)
{
out(i,j)=m(i,j) * v(i,j) ;
}
}
return out ;
}
'
This function, however, performs element-wise multiplication and does not behave as %*%. Is there an easy way to modify the above code to achieve the intended result?
EDIT:
I have come up with a function using RcppEigen that seems to beat %*%:
etest <- cxxfunction(signature(tm="NumericMatrix",
tm2="NumericMatrix"),
plugin="RcppEigen",
body="
NumericMatrix tm22(tm2);
NumericMatrix tmm(tm);
const Eigen::Map<Eigen::MatrixXd> ttm(as<Eigen::Map<Eigen::MatrixXd> >(tmm));
const Eigen::Map<Eigen::MatrixXd> ttm2(as<Eigen::Map<Eigen::MatrixXd> >(tm22));
Eigen::MatrixXd prod = ttm*ttm2;
return(wrap(prod));
")
set.seed(123)
M1 <- matrix(sample(1e3),ncol=50)
M2 <- matrix(sample(1e3),nrow=50)
identical(etest(M1,M2), M1 %*% M2)
[1] TRUE
res <- microbenchmark(
+ etest(M1,M2),
+ M1 %*% M2,
+ times=10000L)
res
Unit: microseconds
expr min lq mean median uq max neval
etest(M1, M2) 5.709 6.61 7.414607 6.611 7.211 49.879 10000
M1 %*% M2 11.718 12.32 13.505272 12.621 13.221 58.592 10000
There are good reasons to rely on existing libraries / packages for standard tasks. The routines in the libraries are
optimized
thoroughly tested
a good means to keep the code compact, human-readable, and easy to maintain.
Therefore I think that using RcppArmadillo or RcppEigen should be preferable here. However, to answer your question, below is a possible Rcpp code to perform a matrix multiplication:
library(Rcpp)
cppFunction('NumericMatrix mmult(const NumericMatrix& m1, const NumericMatrix& m2){
if (m1.ncol() != m2.nrow()) stop ("Incompatible matrix dimensions");
NumericMatrix out(m1.nrow(),m2.ncol());
NumericVector rm1, cm2;
for (size_t i = 0; i < m1.nrow(); ++i) {
rm1 = m1(i,_);
for (size_t j = 0; j < m2.ncol(); ++j) {
cm2 = m2(_,j);
out(i,j) = std::inner_product(rm1.begin(), rm1.end(), cm2.begin(), 0.);
}
}
return out;
}')
Let's test it:
A <- matrix(c(1:6),ncol=2)
B <- matrix(c(0:7),nrow=2)
mmult(A,B)
# [,1] [,2] [,3] [,4]
#[1,] 4 14 24 34
#[2,] 5 19 33 47
#[3,] 6 24 42 60
identical(mmult(A,B), A %*% B)
#[1] TRUE
Hope this helps.
As benchmark tests show, the above Rcpp code is slower than R's built-in %*% operator. I assume that, while my Rcpp code can certainly be improved, it will be hard to beat the optimized code behind %*% in terms of performance:
library(microbenchmark)
set.seed(123)
M1 <- matrix(rnorm(1e4),ncol=100)
M2 <- matrix(rnorm(1e4),nrow=100)
identical(M1 %*% M2, mmult(M1,M2))
#[1] TRUE
res <- microbenchmark(
mmult(M1,M2),
M1 %*% M2,
times=1000L)
#> res
#Unit: microseconds
# expr min lq mean median uq max neval cld
# mmult(M1, M2) 1466.855 1484.8535 1584.9509 1494.0655 1517.5105 2699.643 1000 b
# M1 %*% M2 602.053 617.9685 687.6863 621.4335 633.7675 2774.954 1000 a
I would encourage to try to work out your issues with RcppArmadillo. Using it is as simple as this example also created by calling RcppArmadillo.package.skeleton():
// another simple example: outer product of a vector,
// returning a matrix
//
// [[Rcpp::export]]
arma::mat rcpparma_outerproduct(const arma::colvec & x) {
arma::mat m = x * x.t();
return m;
}
// and the inner product returns a scalar
//
// [[Rcpp::export]]
double rcpparma_innerproduct(const arma::colvec & x) {
double v = arma::as_scalar(x.t() * x);
return v;
}
There is actually more code in the example but this should give you an idea.
The following approach can also be used :
NumericMatrix mmult(NumericMatrix m, NumericMatrix v)
{
Environment base("package:base");
Function mat_Mult = base["%*%"];
return(mat_Mult(m, v));
}
With this approach, we use the operator %*% of R.

How to speed up this Rcpp function?

I wish to implement a simple split-apply-combine routine in Rcpp where a dataset (matrix) is split up into groups, and then the groupwise column sums are returned. This is a procedure easily implemented in R, but often takes quite some time. I have managed to implement an Rcpp solution that beats the performance of R, but I wonder if I can further improve upon it. To illustrate, here some code, first for the use of R:
n <- 50000
k <- 50
set.seed(42)
X <- matrix(rnorm(n*k), nrow=n)
g=rep(1:8,length.out=n )
use.for <- function(mat, ind){
sums <- matrix(NA, nrow=length(unique(ind)), ncol=ncol(mat))
for(i in seq_along(unique(ind))){
sums[i,] <- colSums(mat[ind==i,])
}
return(sums)
}
use.apply <- function(mat, ind){
apply(mat,2, function(x) tapply(x, ind, sum))
}
use.dt <- function(mat, ind){ # based on Roland's answer
dt <- as.data.table(mat)
dt[, cvar := ind]
dt2 <- dt[,lapply(.SD, sum), by=cvar]
as.matrix(dt2[,cvar:=NULL])
}
It turns out that the for-loops is actually quite fast and is the easiest (for me) to implement with Rcpp. It works by creating a submatrix for each group and then calling colSums on the matrix. This is implemented using RcppArmadillo:
#include <RcppArmadillo.h>
// [[Rcpp::depends(RcppArmadillo)]]
using namespace Rcpp;
using namespace arma;
// [[Rcpp::export]]
arma::mat use_arma(arma::mat X, arma::colvec G){
arma::colvec gr = arma::unique(G);
int gr_n = gr.n_rows;
int ncol = X.n_cols;
arma::mat out = zeros(gr_n, ncol);
for(int g=0; g<gr_n; g++){
int g_id = gr(g);
arma::uvec subvec = find(G==g_id);
arma::mat submat = X.rows(subvec);
arma::rowvec res = sum(submat,0);
out.row(g) = res;
}
return out;
}
However, based on answers to this question, I learned that creating copies is expensive in C++ (just as in R), but that loops are not as bad as they are in R. Since the arma-solution relies on creating matrixes (submat in the code) for each group, my guess is that avoiding this will speed up the process even further. Hence, here a second implementation based on Rcpp only using a loop:
#include <Rcpp.h>
using namespace Rcpp;
// [[Rcpp::export]]
NumericMatrix use_Rcpp(NumericMatrix X, IntegerVector G){
IntegerVector gr = unique(G);
std::sort(gr.begin(), gr.end());
int gr_n = gr.size();
int nrow = X.nrow(), ncol = X.ncol();
NumericMatrix out(gr_n, ncol);
for(int g=0; g<gr_n; g++){
int g_id = gr(g);
for (int j = 0; j < ncol; j++) {
double total = 0;
for (int i = 0; i < nrow; i++) {
if (G(i) != g_id) continue; // not sure how else to do this
total += X(i, j);
}
out(g,j) = total;
}
}
return out;
}
Benchmarking these solutions, including the use_dt version provided by #Roland (my previous version discriminted unfairly against data.table), as well as the dplyr-solution suggested by #beginneR, yields the following:
library(rbenchmark)
benchmark(use.for(X,g), use.apply(X,g), use.dt(X,g), use.dplyr(X,g), use_arma(X,g), use_Rcpp(X,g),
+ columns = c("test", "replications", "elapsed", "relative"), order = "relative", replications = 1000)
test replications elapsed relative
# 5 use_arma(X, g) 1000 29.65 1.000
# 4 use.dplyr(X, g) 1000 42.05 1.418
# 3 use.dt(X, g) 1000 56.94 1.920
# 1 use.for(X, g) 1000 60.97 2.056
# 6 use_Rcpp(X, g) 1000 113.96 3.844
# 2 use.apply(X, g) 1000 301.14 10.156
My intution (use_Rcpp better than use_arma) did not turn out right. Having said that, I guess that the line if (G(i) != g_id) continue; in my use_Rcpp function slows down everything. I am happy to learn about alternatives to set this up.
I am happy that I have achieved the same task in half the time it takes R to do it, but maybe the several Rcpp is much faster than R-examples have messed with my expectations, and I am wondering if I can speed this up even more. Does anyone have an idea? I also welcome any programming / coding comments in general since I am relatively new to Rcpp and C++.
No, it's not the for loop that you need to beat:
library(data.table)
#it doesn't seem fair to include calls to library in benchmarks
#you need to do that only once in your session after all
use.dt2 <- function(mat, ind){
dt <- as.data.table(mat)
dt[, cvar := ind]
dt2 <- dt[,lapply(.SD, sum), by=cvar]
as.matrix(dt2[,cvar:=NULL])
}
all.equal(use.dt(X,g), use.dt2(X,g))
#TRUE
benchmark(use.for(X,g), use.apply(X,g), use.dt(X,g), use.dt2(X,g),
columns = c("test", "replications", "elapsed", "relative"),
order = "relative", replications = 50)
# test replications elapsed relative
#4 use.dt2(X, g) 50 3.12 1.000
#1 use.for(X, g) 50 4.67 1.497
#3 use.dt(X, g) 50 7.53 2.413
#2 use.apply(X, g) 50 17.46 5.596
Maybe you're looking for (the oddly named) rowsum
library(microbenchmark)
use.rowsum = rowsum
and
> all.equal(use.for(X, g), use.rowsum(X, g), check.attributes=FALSE)
[1] TRUE
> microbenchmark(use.for(X, g), use.rowsum(X, g), times=5)
Unit: milliseconds
expr min lq median uq max neval
use.for(X, g) 126.92876 127.19027 127.51403 127.64082 128.06579 5
use.rowsum(X, g) 10.56727 10.93942 11.01106 11.38697 11.38918 5
Here's my critiques with in-line comments for your Rcpp solution.
#include <Rcpp.h>
using namespace Rcpp;
// [[Rcpp::export]]
NumericMatrix use_Rcpp(NumericMatrix X, IntegerVector G){
// Rcpp has a sort_unique() function, which combines the
// sort and unique steps into one, and is often faster than
// performing the operations separately. Try `sort_unique(G)`
IntegerVector gr = unique(G);
std::sort(gr.begin(), gr.end());
int gr_n = gr.size();
int nrow = X.nrow(), ncol = X.ncol();
// This constructor zero-initializes memory (kind of like
// making a copy). You should use:
//
// NumericMatrix out = no_init(gr_n, ncol)
//
// to ensure the memory is allocated, but not zeroed.
//
// EDIT: We don't have no_init for matrices right now, but you can hack
// around that with:
//
// NumericMatrix out(Rf_allocMatrix(REALSXP, gr_n, ncol));
NumericMatrix out(gr_n, ncol);
for(int g=0; g<gr_n; g++){
// subsetting with operator[] is cheaper, so use gr[g] when
// you can be sure bounds checks are not necessary
int g_id = gr(g);
for (int j = 0; j < ncol; j++) {
double total = 0;
for (int i = 0; i < nrow; i++) {
// similarily here
if (G(i) != g_id) continue; // not sure how else to do this
total += X(i, j);
}
// IIUC, you are filling the matrice row-wise. This is slower as
// R matrices are stored in column-major format, and so filling
// matrices column-wise will be faster.
out(g,j) = total;
}
}
return out;
}

Speeding up computation of Dice coefficient in C / Rcpp

I need to compute a similarity measure call the Dice coefficient over large matrices (600,000 x 500) of binary vectors in R. For speed I use C / Rcpp. The function runs great but as I am not a computer scientist by background I would like to know if it could run faster. This code is suitable for parallelisation but I have no experience parallelising C code.
The Dice coefficient is a simple measure of similarity / dissimilarity (depending how you take it). It is intended to compare asymmetric binary vectors, meaning one of the combination (usually 0-0) is not important and agreement (1-1 pairs) have more weight than disagreement (1-0 or 0-1 pairs). Imagine the following contingency table:
1 0
1 a b
0 c d
The Dice coef is: (2*a) / (2*a +b + c)
Here is my Rcpp implementation:
library(Rcpp)
cppFunction('
NumericMatrix dice(NumericMatrix binaryMat){
int nrows = binaryMat.nrow(), ncols = binaryMat.ncol();
NumericMatrix results(ncols, ncols);
for(int i=0; i < ncols-1; i++){ // columns fixed
for(int j=i+1; j < ncols; j++){ // columns moving
double a = 0;
double d = 0;
for (int l = 0; l < nrows; l++) {
if(binaryMat(l, i)>0){
if(binaryMat(l, j)>0){
a++;
}
}else{
if(binaryMat(l, j)<1){
d++;
}
}
}
// compute Dice coefficient
double abc = nrows - d;
double bc = abc - a;
results(j,i) = (2*a) / (2*a + bc);
}
}
return wrap(results);
}
')
And here is a running example:
x <- rbinom(1:200000, 1, 0.5)
X <- matrix(x, nrow = 200, ncol = 1000)
system.time(dice(X))
user system elapsed
0.814 0.000 0.814
The solution proposed by Roland was not entirely satisfying for my use case. So based on the source code from the arules package I implement a much faster version. The code in arules rely on an algorithm from Leisch (2005) using the tcrossproduct() function in R.
First, I wrote a Rcpp / RcppEigen version of crossprod that is 2-3 time faster. This is based on the example code in the RcppEigen vignette.
library(Rcpp)
library(RcppEigen)
library(inline)
crossprodCpp <- '
using Eigen::Map;
using Eigen::MatrixXi;
using Eigen::Lower;
const Map<MatrixXi> A(as<Map<MatrixXi> >(AA));
const int m(A.rows()), n(A.cols());
MatrixXi AtA(MatrixXi(n, n).setZero().selfadjointView<Lower>().rankUpdate(A.adjoint()));
return wrap(AtA);
'
fcprd <- cxxfunction(signature(AA = "matrix"), crossprodCpp, "RcppEigen")
Then I wrote a small R function to compute the Dice coefficient.
diceR <- function(X){
a <- fcprd(X)
nx <- ncol(X)
rsx <- colSums(X)
c <- matrix(rsx, nrow = nx, ncol = nx) - a
# b <- matrix(rsx, nrow = nx, ncol = nx, byrow = TRUE) - a
b <- t(c)
m <- (2 * a) / (2*a + b + c)
return(m)
}
This new function is ~8 time faster than the old one and ~3 time faster than the one in arules.
m <- microbenchmark(dice(X), diceR(X), dissimilarity(t(X), method="dice"), times=100)
m
# Unit: milliseconds
# expr min lq median uq max neval
# dice(X) 791.34558 809.8396 812.19480 814.6735 910.1635 100
# diceR(X) 62.98642 76.5510 92.02528 159.2557 507.1662 100
# dissimilarity(t(X), method = "dice") 264.07997 342.0484 352.59870 357.4632 520.0492 100
I cannot run your function at work, but is the result the same as this?
library(arules)
plot(dissimilarity(X,method="dice"))
system.time(dissimilarity(X,method="dice"))
#user system elapsed
#0.04 0.00 0.04