decompositions.hpp

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/*!
 * \brief       Defines types for matrix decompositions and solvers
 * 
 * \author      O. Krause
 * \date        2016
 *
 *
 * \par Copyright 1995-2015 Shark Development Team
 * 
 * <BR><HR>
 * This file is part of Shark.
 * <http://image.diku.dk/shark/>
 * 
 * Shark is free software: you can redistribute it and/or modify
 * it under the terms of the GNU Lesser General Public License as published 
 * by the Free Software Foundation, either version 3 of the License, or
 * (at your option) any later version.
 * 
 * Shark is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 * 
 * You should have received a copy of the GNU Lesser General Public License
 * along with Shark.  If not, see <http://www.gnu.org/licenses/>.
 *
 */
#ifndef REMORA_DECOMPOSITIONS_HPP
#define REMORA_DECOMPOSITIONS_HPP
 
#include "kernels/trsm.hpp"
#include "kernels/trsv.hpp"
#include "kernels/potrf.hpp"
#include "kernels/pstrf.hpp"
#include "kernels/getrf.hpp"
#include "kernels/syev.hpp"
#include "assignment.hpp"
#include "permutation.hpp"
#include "matrix_expression.hpp"
#include "proxy_expressions.hpp"
#include "vector_expression.hpp"
 
namespace remora{
template<class D, class Device>
struct solver_expression{
    typedef Device device_type;
    
    D const& operator()() const {
        return *static_cast<D const*>(this);
    }
 
    D& operator()() {
        return *static_cast<D*>(this);
    }
};
 
 
/// \brief Lower triangular Cholesky decomposition.
///
///  Given an \f$ m \times m \f$ symmetric positive definite matrix
///  \f$A\f$, represents the lower triangular matrix \f$L\f$ such that
///  \f$A = LL^T \f$.
///  
/// This decomposition is a corner block of many linear algebra routines
/// especially for solving symmetric positive definite systems of equations.
/// 
/// Unlike many other decompositions, this decomposition is fast,
/// numerically stable and can be updated when the original matrix is changed
/// (rank-k updates of the form A<-alpha A + VCV^T)
template<class MatrixStorage>
class cholesky_decomposition:
    public solver_expression<
        cholesky_decomposition<MatrixStorage>, 
        typename MatrixStorage::device_type
>{
private:
    typedef typename MatrixStorage::value_type value_type;
public:
    typedef typename MatrixStorage::device_type device_type;
    cholesky_decomposition(){}
    template<class E>
    cholesky_decomposition(matrix_expression<E,device_type> const& e):m_cholesky(e){
        kernels::potrf<lower>(m_cholesky);
    }
    
    template<class E>
    void decompose(matrix_expression<E,device_type> const& e){
        m_cholesky.resize(e().size1(), e().size2());
        noalias(m_cholesky) = e;
        kernels::potrf<lower>(m_cholesky);
    }
    
    MatrixStorage const& lower_factor()const{
        return m_cholesky;
    }
 
    auto upper_factor()const -> decltype(trans(std::declval<MatrixStorage const&>())){
        return trans(m_cholesky);
    }
    
    template<class MatB>
    void solve(matrix_expression<MatB,device_type>& B, left)const{
        kernels::trsm<lower,left >(lower_factor(),B);
        kernels::trsm<upper,left >(upper_factor(),B);
    }
    template<class MatB>
    void solve(matrix_expression<MatB,device_type>& B, right)const{
        kernels::trsm<upper,right >(upper_factor(),B);
        kernels::trsm<lower,right >(lower_factor(),B);
    }
    template<class VecB, bool Left>
    void solve(vector_expression<VecB,device_type>&b, system_tag<Left>)const{
        kernels::trsv<lower, left>(lower_factor(),b);
        kernels::trsv<upper,left>(upper_factor(),b);
    }
    
    /// \brief Updates a covariance factor by a rank one update
    ///
    /// Let \f$ A=LL^T \f$ be a matrix with its lower cholesky factor. Assume we want to update 
    /// A using a simple rank-one update \f$ A = \alpha A+ \beta vv^T \f$. This invalidates L and
    /// it needs to be recomputed which is O(n^3). instead we can update the factorisation
    /// directly by performing a similar, albeit more complex algorithm on L, which can be done
    /// in O(L^2). 
    /// 
    /// Alpha is not required to be positive, but if it is not negative, one has to be carefull
    /// that the update would keep A positive definite. Otherwise the decomposition does not
    /// exist anymore and an exception is thrown.
    ///
    /// \param v the update vector
    /// \param alpha the scaling factor, must be positive.
    /// \param beta the update factor. it Can be positive or negative
    template<class VecV>
    void update(value_type alpha, value_type beta, vector_expression<VecV,device_type> const& v){
        if(beta == 0){
            m_cholesky *= std::sqrt(alpha);
            return;
        }
        //implementation blatantly stolen from Eigen
        std::size_t n = v().size();
        auto& L = m_cholesky;
        typename vector_temporary<VecV>::type temp = v;
        double beta_prime = 1;
        double a = std::sqrt(alpha);
        for(std::size_t j=0; j != n; ++j)
        {
            double Ljj = a * L(j,j);
            double dj = Ljj * Ljj;
            double wj = temp(j);
            double swj2 = beta * wj * wj;
            double gamma = dj * beta_prime + swj2;
 
            double x = dj + swj2/beta_prime;
            if (x <= 0.0)
                throw std::invalid_argument("[cholesky_decomposition::update] update makes matrix indefinite, no update available");
            double nLjj = std::sqrt(x);
            L(j,j) = nLjj;
            beta_prime += swj2/dj;
            
            // Update the terms of L
            if(j+1 <n){
                subrange(column(L,j),j+1,n) *= a;
                noalias(subrange(temp,j+1,n)) -= (wj/Ljj) * subrange(column(L,j),j+1,n);
                if(gamma == 0)
                    continue;
                subrange(column(L,j),j+1,n) *= nLjj/Ljj;
                noalias(subrange(column(L,j),j+1,n))+= (nLjj * beta*wj/gamma)*subrange(temp,j+1,n);
            }
        }
    }
    
    template<typename Archive>
    void serialize( Archive & ar, const std::size_t version ) {
        ar & m_cholesky;
    }
private:
    MatrixStorage m_cholesky;
};
 
 
/// \brief Symmetric eigenvalue decomposition A=QDQ^T
///
/// every symmetric matrix can be decomposed into its eigenvalue decomposition
/// A=QDQ^T, where Q is an orthogonal matrix with Q^TQ=QQ^T=I
/// and D is the diagonal matrix of eigenvalues of A.
template<class MatrixStorage>
class symm_eigenvalue_decomposition:
    public solver_expression<
        symm_eigenvalue_decomposition<MatrixStorage>, 
        typename MatrixStorage::device_type
>{
private:
    typedef typename MatrixStorage::value_type value_type;
    typedef typename vector_temporary<MatrixStorage>::type VectorStorage;
public:
    typedef typename MatrixStorage::device_type device_type;
    symm_eigenvalue_decomposition(){}
    template<class E>
    symm_eigenvalue_decomposition(matrix_expression<E,device_type> const& e){
        decompose(e);
    }
    
    template<class E>
    void decompose(matrix_expression<E,device_type> const& e){
        REMORA_SIZE_CHECK(e().size1() ==  e().size2());
        m_eigenvectors.resize(e().size1(),e().size1());
        m_eigenvalues.resize(e().size1());
        noalias(m_eigenvectors) = e;
 
        kernels::syev(m_eigenvectors,m_eigenvalues);
    }
    
    MatrixStorage const& Q()const{
        return m_eigenvectors;
    }
    VectorStorage const& D()const{
        return m_eigenvalues;
    }
    
    
    template<class MatB>
    void solve(matrix_expression<MatB,device_type>& B, left)const{
        B() = Q() % to_diagonal(elem_inv(D()))% trans(Q()) % B;
    }
    template<class MatB>
    void solve(matrix_expression<MatB,device_type>& B, right)const{
        auto transB = trans(B);
        solve(transB,left());
    }
    template<class VecB>
    void solve(vector_expression<VecB,device_type>&b, left)const{
        b() = Q() % safe_div(trans(Q()) % b,D() ,0.0);
    }
    
    template<class VecB>
    void solve(vector_expression<VecB,device_type>&b, right)const{
        solve(b,left());
    }
    
    template<typename Archive>
    void serialize( Archive & ar, const std::size_t version ) {
        ar & m_eigenvectors;
        ar & m_eigenvalues;
    }
private:
    MatrixStorage m_eigenvectors;
    VectorStorage m_eigenvalues;
};
 
 
 
 
template<class MatrixStorage>
class pivoting_lu_decomposition:
public solver_expression<
    pivoting_lu_decomposition<MatrixStorage>, 
    typename MatrixStorage::device_type
>{
public:
    typedef typename MatrixStorage::device_type device_type;
    template<class E>
    pivoting_lu_decomposition(matrix_expression<E,device_type> const& e)
    :m_factor(e), m_permutation(e().size1()){
        kernels::getrf(m_factor,m_permutation);
    }
    
    MatrixStorage const& factor()const{
        return m_factor;
    }
    
    permutation_matrix const& permutation() const{
        return m_permutation;
    }
    
    template<class MatB>
    void solve(matrix_expression<MatB,device_type>& B, left)const{
        swap_rows(m_permutation,B);
        kernels::trsm<unit_lower,left>(m_factor,B);
        kernels::trsm<upper,left>(m_factor,B);
    }
    template<class MatB>
    void solve(matrix_expression<MatB,device_type>& B, right)const{
        kernels::trsm<upper,right>(m_factor,B);
        kernels::trsm<unit_lower,right>(m_factor,B);
        swap_columns_inverted(m_permutation,B);
    }
    template<class VecB>
    void solve(vector_expression<VecB,device_type>& b, left)const{
        swap_rows(m_permutation,b);
        kernels::trsv<unit_lower,left>(m_factor,b);
        kernels::trsv<upper,left>(m_factor,b);
    }
    template<class VecB>
    void solve(vector_expression<VecB,device_type>& b, right)const{
        kernels::trsv<upper,right>(m_factor,b);
        kernels::trsv<unit_lower,right>(m_factor,b);
        swap_rows_inverted(m_permutation,b);
    }
private:
    MatrixStorage m_factor;
    permutation_matrix m_permutation;
};
 
 
// This is an implementation suggested by
// "Fast Computation of Moore-Penrose Inverse Matrices"
// applied to the special case of symmetric pos semi-def matrices
// trading numerical accuracy vs speed. We go for speed.
//
// The fact that A is not full rank means it is not invertable,
// so we solve it in a least squares sense.
//
// We use the formula for the pseudo-inverse:
// (P^T A P)^-1 = L(L^TL)^-1(L^TL)^-1 L^T
// where L is a matrix obtained by some rank revealing factorization
// P^T A P = L L^T 
// we chose a pivoting cholesky to make use of the fact that A is symmetric
// and all eigenvalues are >=0. If A has full rank, this reduces to
// the cholesky factor where the pivoting leads to slightly smaller numerical errors
// At a higher computational cost compared to the normal cholesky decomposition.
template<class MatrixStorage>
class symm_pos_semi_definite_solver:
    public solver_expression<symm_pos_semi_definite_solver<MatrixStorage>, typename MatrixStorage::device_type>{
public:
    typedef typename MatrixStorage::device_type device_type;
    template<class E>
    symm_pos_semi_definite_solver(matrix_expression<E,device_type> const& e)
    :m_factor(e), m_permutation(e().size1()){
        m_rank = kernels::pstrf<lower>(m_factor,m_permutation);
        if(m_rank == e().size1()) return; //full rank, so m_factor is lower triangular and we are done
        
        auto L = columns(m_factor,0,m_rank);
        m_cholesky.decompose(prod(trans(L),L));
    }
    
    std::size_t rank()const{
        return m_rank;
    }
    
    //compute C so that A^dagger = CC^T
    //where A^dagger is the moore-penrose inverse
    // m must be of size rank x n
    template<class Mat>
    void compute_inverse_factor(matrix_expression<Mat,device_type>& C)const{
        REMORA_SIZE_CHECK(C().size1() == m_rank);
        REMORA_SIZE_CHECK(C().size2() == m_factor.size1());
        if(m_rank == m_factor.size1()){//matrix has full rank
            //initialize as identity matrix and solve
            noalias(C) = identity_matrix<double>( m_factor.size1());
            swap_columns_inverted(m_permutation,C);
            kernels::trsm<lower,left>(m_factor,C);
        }else{
            auto L = columns(m_factor,0,m_rank);
            noalias(C) = trans(L);
            m_cholesky.solve(C,left());
            swap_columns_inverted(m_permutation,C);
        }
        
    }
    template<class MatB>
    void solve(matrix_expression<MatB,device_type>& B, left)const{
        swap_rows(m_permutation,B);
        if(m_rank == 0){//matrix is zero
            B().clear();
        }else if(m_rank == m_factor.size1()){//matrix has full rank
            kernels::trsm<lower,left>(m_factor,B);
            kernels::trsm<upper,left>(trans(m_factor),B);
        }else{//matrix is missing rank
            auto L = columns(m_factor,0,m_rank);
            auto Z =  eval_block(prod(trans(L),B));
            m_cholesky.solve(Z,left()); 
            m_cholesky.solve(Z,left()); 
            noalias(B) = prod(L,Z);
        }
        swap_rows_inverted(m_permutation,B);
    }
    template<class MatB>
    void solve(matrix_expression<MatB,device_type>& B, right)const{
        //compute using symmetry of the system of equations
        auto transB = trans(B);
        solve(transB, left());
    }
    template<class VecB, bool Left>
    void solve(vector_expression<VecB,device_type>& b, system_tag<Left>)const{
        swap_rows(m_permutation,b);
        if(m_rank == 0){//matrix is zero
            b().clear();
        }else if(m_rank == m_factor.size1()){//matrix has full rank
            kernels::trsv<lower,left >(m_factor,b);
            kernels::trsv<upper,left >(trans(m_factor),b);
        }else{//matrix is missing rank
            auto L = columns(m_factor,0,m_rank);
            auto z =  eval_block(prod(trans(L),b));
            m_cholesky.solve(z,left()); 
            m_cholesky.solve(z,left()); 
            noalias(b) = prod(L,z);
        }
        swap_rows_inverted(m_permutation,b);
    }
private:
    std::size_t m_rank;
    MatrixStorage m_factor;
    cholesky_decomposition<MatrixStorage> m_cholesky;
    permutation_matrix m_permutation;
};
 
template<class MatA>
class cg_solver:public solver_expression<cg_solver<MatA>, typename MatA::device_type>{
public:
    typedef typename MatA::const_closure_type matrix_closure_type;
    typedef typename MatA::device_type device_type;
    cg_solver(matrix_closure_type const& e, double epsilon = 1.e-10, unsigned int max_iterations = 0)
    :m_expression(e), m_epsilon(epsilon), m_max_iterations(max_iterations){}
    
    template<class MatB>
    void solve(
        matrix_expression<MatB,device_type>& B, left,
        double epsilon, unsigned max_iterations
    )const{
        typename matrix_temporary<MatB>::type X = B;
        cg(m_expression,X, B, epsilon, max_iterations);
        noalias(B) = X;
    }
    template<class MatB>
    void solve(
        matrix_expression<MatB,device_type>& B, right,
        double epsilon, unsigned max_iterations
    )const{
        auto transB = trans(B);
        typename transposed_matrix_temporary<MatB>::type X = transB;
        cg(m_expression,X,transB, epsilon, max_iterations);
        noalias(transB) = X;
    }
    template<class VecB, bool Left>
    void solve(
        vector_expression<VecB,device_type>&b, system_tag<Left>, 
        double epsilon, unsigned max_iterations
    )const{
        typename vector_temporary<VecB>::type x = b;
        cg(m_expression,x,b,epsilon,max_iterations);
        noalias(b) = x;
    }
    
    template<class VecB, bool Left>
    void solve(vector_expression<VecB,device_type>&b, system_tag<Left> tag)const{
        solve(b, tag, m_epsilon, m_max_iterations);
    }
    template<class MatB, bool Left>
    void solve(matrix_expression<MatB,device_type>&B, system_tag<Left> tag)const{
        solve(B, tag, m_epsilon, m_max_iterations);
    }
private:
    template<class MatT, class VecB, class VecX>
    void cg(
        matrix_expression<MatT, device_type> const& A,
        vector_expression<VecX, device_type>& x,
        vector_expression<VecB, device_type> const& b,
        double epsilon,
        unsigned int max_iterations
    )const{
        REMORA_SIZE_CHECK(A().size1() == A().size2());
        REMORA_SIZE_CHECK(A().size1() == b().size());
        REMORA_SIZE_CHECK(A().size1() == x().size());
        typedef typename vector_temporary<VecX>::type vector_type;
        
        std::size_t dim = b().size();
        
        //initialize point. 
        vector_type residual = b - prod(A,x);
        //check if provided solution is better than starting at 0
        if(norm_inf(residual) > norm_inf(b)){
            x().clear();
            residual = b;
        }
        vector_type next_residual(dim); //the next residual
        vector_type p = residual; //the search direction- initially it is the gradient direction
        vector_type Ap(dim); //stores prod(A,p)
        
        for(std::size_t iter = 0;; ++iter){
            if(max_iterations != 0 && iter >= max_iterations) break;
            noalias(Ap) = prod(A,p);
            double rsqr = norm_sqr(residual);
            double alpha = rsqr/inner_prod(p,Ap);
            noalias(x) += alpha * p;
            noalias(next_residual) = residual - alpha * Ap; 
            if(norm_inf(next_residual) < epsilon)
                break;
            
            double beta = inner_prod(next_residual,next_residual)/rsqr;
            p *= beta;
            noalias(p) += next_residual;
            swap(residual,next_residual);
        }
    }
    
    template<class MatT, class MatB, class MatX>
    void cg(
        matrix_expression<MatT, device_type> const& A,
        matrix_expression<MatX, device_type>& X,
        matrix_expression<MatB, device_type> const& B,
        double epsilon,
        unsigned int max_iterations
    )const{
        REMORA_SIZE_CHECK(A().size1() == A().size2());
        REMORA_SIZE_CHECK(A().size1() == B().size1());
        REMORA_SIZE_CHECK(A().size1() == X().size1());
        REMORA_SIZE_CHECK(B().size2() == X().size2());
        typedef typename vector_temporary<MatX>::type vector_type;
        typedef typename matrix_temporary<MatX>::type matrix_type;
        
        std::size_t dim = B().size1();
        std::size_t num_rhs = B().size2();
        
        //initialize gradient given the starting point
        matrix_type residual = B - prod(A,X);
        //check for each rhs whether the starting point is better than starting from scratch
        for(std::size_t i = 0; i != num_rhs; ++i){
            if(norm_inf(column(residual,i)) <= norm_inf(column(residual,i))){
                column(X,i).clear();
                noalias(column(residual,i)) = column(B,i);
            }
        }
        
        vector_type next_residual(dim); //the next residual of a column
        matrix_type P = residual; //the search direction- initially it is the gradient direction
        matrix_type AP(dim, num_rhs); //stores prod(A,p)
        
        for(std::size_t iter = 0;; ++iter){
            if(max_iterations != 0 && iter >= max_iterations) break;
            //compute the product for all rhs at the same time
            noalias(AP) = prod(A,P);
            //for each rhs apply a step of cg
            for(std::size_t i = 0; i != num_rhs; ++i){
                auto r = column(residual,i);
                //skip this if we are done already
                //otherwise we might run into numerical troubles later on
                if(norm_inf(r) < epsilon) continue;
                
                auto x = column(X,i);
                auto p = column(P,i);
                auto Ap = column(AP,i);
                double rsqr = norm_sqr(r);
                double alpha = rsqr/inner_prod(p,Ap);
                noalias(x) += alpha * p;
                noalias(next_residual) = r - alpha * Ap; 
                double beta = inner_prod(next_residual,next_residual)/rsqr;
                p *= beta;
                noalias(p) += next_residual;
                noalias(r) = next_residual;
            }
            //if all solutions are within tolerance, we are done
            if(max(abs(residual)) < epsilon)
                break;
        }
    }
    
    matrix_closure_type m_expression;
    double m_epsilon;
    unsigned int m_max_iterations;
};
 
 
/////////////////////////////////////////////////////////////////
////Traits connecting decompositions/solvers with tags
/////////////////////////////////////////////////////////////////
struct symm_pos_def{ typedef symm_pos_def transposed_orientation;};
struct symm_semi_pos_def{ typedef symm_semi_pos_def transposed_orientation;};
struct indefinite_full_rank{ typedef indefinite_full_rank transposed_orientation;};
struct conjugate_gradient{
    typedef conjugate_gradient transposed_orientation;
    double epsilon;
    unsigned max_iterations;
    conjugate_gradient(double epsilon = 1.e-10, unsigned max_iterations = 0)
    :epsilon(epsilon), max_iterations(max_iterations){}
};
 
 
namespace detail{
template<class MatA, class SolverTag>
struct solver_traits;
 
template<class MatA, bool Upper, bool Unit>
struct solver_traits<MatA,triangular_tag<Upper,Unit> >{
    class type: public solver_expression<type,typename MatA::device_type>{
    public:
        typedef typename MatA::const_closure_type matrix_closure_type;
        typedef typename MatA::device_type device_type;
        type(matrix_closure_type const& e, triangular_tag<Upper,Unit>):m_matrix(e){}
        
        template<class MatB, bool Left>
        void solve(matrix_expression<MatB, device_type>& B, system_tag<Left> ){
            kernels::trsm<triangular_tag<Upper,Unit>,system_tag<Left> >(m_matrix,B);
        }
        template<class VecB, bool Left>
        void solve(vector_expression<VecB, device_type>& b, system_tag<Left> ){
            kernels::trsv<triangular_tag<Upper,Unit>,system_tag<Left> >(m_matrix,b);
        }
    private:
        matrix_closure_type m_matrix;
    };
};
    
template<class MatA>
struct solver_traits<MatA,symm_pos_def>{
    struct type : public cholesky_decomposition<typename matrix_temporary<MatA>::type>{
        template<class M>
        type(M const& m, symm_pos_def)
        :cholesky_decomposition<typename matrix_temporary<MatA>::type>(m){}
    };
};
 
template<class MatA>
struct solver_traits<MatA,indefinite_full_rank>{
    struct type : public pivoting_lu_decomposition<typename matrix_temporary<MatA>::type>{
        template<class M>
        type(M const& m, indefinite_full_rank)
        :pivoting_lu_decomposition<typename matrix_temporary<MatA>::type>(m){}
    };
};
 
template<class MatA>
struct solver_traits<MatA,symm_semi_pos_def>{
    struct type : public symm_pos_semi_definite_solver<typename matrix_temporary<MatA>::type>{
        template<class M>
        type(M const& m, symm_semi_pos_def)
        :symm_pos_semi_definite_solver<typename matrix_temporary<MatA>::type>(m){}
    };
};
 
template<class MatA>
struct solver_traits<MatA,conjugate_gradient>{
    struct type : public cg_solver<MatA>{
        template<class M>
        type(M const& m, conjugate_gradient t):cg_solver<MatA>(m,t.epsilon,t.max_iterations){}
    };
};
 
}
 
template<class MatA, class SolverType>
struct solver:public detail::solver_traits<MatA,SolverType>::type{
    template<class M>
    solver(M const& m, SolverType t = SolverType()): detail::solver_traits<MatA,SolverType>::type(m,t){}
};
 
 
}
#endif