将 boost::odeint 与 class 用于不调整向量大小的向量

Use boost::odeint with class for vectors without resizing vectors

我正在尝试将 GSL 的 ODE 求解器与 boost 的 odeint 用于多维系统进行比较,因此编写了一个简短的测试程序:

#include <iostream>
#include <cmath>
#include <vector>

#include <chrono>

#include <boost/numeric/odeint.hpp>

#include <gsl/gsl_errno.h>
#include <gsl/gsl_matrix.h>
#include <gsl/gsl_odeiv2.h>

constexpr int bench_rounds = 10000;
constexpr int dim = 100;

typedef std::vector<double> state_type;

struct simulation_parameters{
    int dimension = dim;        /* number of differential equations */

    double eps_abs = 1.e-8; /* absolute error requested */
    double eps_rel = 1.e-11;    /* relative error requested */

    double tmin = 0.;           /* starting t value */
    double tmax = 10.;          /* final t value */
    double delta_t = 1e-2;

    double h = 1e-6;        /* starting step size for ode solver */
};

struct push_back_state_and_time
{
    std::vector< state_type >& m_states;
    std::vector< double >& m_times;

    push_back_state_and_time( std::vector< state_type > &states , std::vector< double > &times )
        : m_states( states ) , m_times( times ) { }

    void operator()( const state_type &x , double t )
    {
        m_states.push_back( x );
        m_times.push_back( t );
    }
};

int gsl_rhs (double t, const double y[], double f[], void *params_ptr)
{
    /* get parameter(s) from params_ptr; here, just a double */
    double mu = *(double *) params_ptr;

    /* evaluate the right-hand-side functions at t */
    for(size_t i = 0; i < dim; ++i)
        f[i] = -2 * M_PI * y[i];

    return GSL_SUCCESS;     /* GSL_SUCCESS defined in gsl/errno.h as 0 */
};

void boost_rhs(const state_type &y, state_type &f, const int t){
    (void) t;
    for(size_t i = 0; i < y.size(); ++i)
        f[i] = -2 * M_PI * y[i];
}

class boost_calculator{
public:
    boost_calculator(const size_t n_dimensions) : n_dimensions(n_dimensions) {};

    void operator()(const state_type &x, state_type &dx, const double){
        dx.resize(n_dimensions);
        for(size_t i = 0; i < n_dimensions; ++i)
            dx[i] = -2 * M_PI * x[i];
    }

private:
    size_t n_dimensions;
};

double exact_solution(const double t){
    return exp(-2 * M_PI * t);
};

double check_solution_correctness(const std::vector<std::pair<double, double>> &solution){
    double error = 0;
    for(size_t i = 0; i < solution.size(); ++i){
        const double local_error = std::abs(solution[i].second - exact_solution (solution[i].first));
        error += local_error;
    }
    return error;
}

double check_solution_correctness(const std::vector<std::pair<double, double*>> &solution){
    double error = 0;
    for(size_t i = 0; i < solution.size(); ++i){
        double local_error = 0;
        for(size_t j = 0; j < dim; ++j)
            local_error += std::abs(solution[i].second[j] - exact_solution (solution[i].first));
        error += local_error;
    }
    return error;
}

double check_solution_correctness(const std::vector<std::pair<double, std::vector<double>>> &solution){
    double error = 0;
    for(size_t i = 0; i < solution.size(); ++i){
        double local_error = 0;
        for(size_t j = 0; j < solution[i].second.size(); ++j)
            local_error += std::abs(solution[i].second[j] - exact_solution (solution[i].first));
        error += local_error;
    }
    return error;
}

double check_solution_correctness(const std::vector<std::pair<double, std::complex<double>>> &solution){
    double error = 0;
    for(size_t i = 0; i < solution.size(); ++i){
        const double local_error = std::abs(solution[i].second - exact_solution (solution[i].first));
        error += local_error;
    }
    return error;
}

void solve_equation_with_GSL(std::vector<std::pair<double, state_type>> &solution, const simulation_parameters &params){
    /* define the type of routine for making steps: */

    const gsl_odeiv2_step_type *type_ptr = gsl_odeiv2_step_rkf45;

    /*
           allocate/initialize the stepper, the control function, and the
           evolution function.
        */
    gsl_odeiv2_step *step_ptr = gsl_odeiv2_step_alloc (type_ptr, params.dimension);
    gsl_odeiv2_control *control_ptr = gsl_odeiv2_control_y_new (params.eps_abs, params.eps_rel);
    gsl_odeiv2_evolve *evolve_ptr = gsl_odeiv2_evolve_alloc (params.dimension);

    gsl_odeiv2_system my_system;    /* structure with the rhs function, etc. */

    double mu = 10;     /* parameter for the diffeq */
    double y[dim];          /* current solution vector */

    double t, t_next;       /* current and next independent variable */
    double tmin, tmax, delta_t; /* range of t and step size for output */

    double h = params.h;

    tmin = params.tmin;
    tmax = params.tmax;
    delta_t = params.delta_t;

    /* load values into the my_system structure */
    my_system.function = gsl_rhs;   /* the right-hand-side functions dy[i]/dt */
    my_system.jacobian = nullptr;   /* the Jacobian df[i]/dy[j] */
    my_system.dimension = params.dimension; /* number of diffeq's */
    my_system.params = &mu; /* parameters to pass to rhs and jacobian */

    for(size_t i = 0; i < dim; ++i)
        y[i] = 1.;          /* initial x value */

    t = tmin;             /* initialize t */
    //printf ("%.5e %.5e %.5e\n", t, y[0], exact_solution (t)); /* initial values */

    /* step to tmax from tmin */
    const int vector_size = (int)((tmax - tmin) / delta_t) + 1;
    solution.clear();
    solution.resize(vector_size - 1);
    int counter = 0;
    for (t_next = tmin + delta_t; t_next <= tmax; t_next += delta_t)
    {
        while (t < t_next)  /* evolve from t to t_next */
        {
            gsl_odeiv2_evolve_apply (evolve_ptr, control_ptr, step_ptr,
                                    &my_system, &t, t_next, &h, y);
        }
        //printf ("%.5e %.5e %.5e %.5e\n", t, y[0], y[1], exact_solution (t)); /* print at t=t_next */
        solution[counter] = std::make_pair(t_next, state_type(y, y + dim));
        counter++;
    }

    /* all done; free up the gsl_odeiv stuff */
    gsl_odeiv2_evolve_free (evolve_ptr);
    gsl_odeiv2_control_free (control_ptr);
    gsl_odeiv2_step_free (step_ptr);
}

void solve_equation_with_Boost(std::vector<std::pair<double, state_type>> &solution, const simulation_parameters &params){
    using namespace boost::numeric::odeint;
    typedef runge_kutta_fehlberg78<state_type> error_stepper_type;
    state_type x_0 = state_type{1.};
    typedef controlled_runge_kutta< error_stepper_type > controlled_stepper_type;
    controlled_stepper_type controlled_stepper;

    std::vector<state_type> x_vec;
    std::vector<double> t;

    const size_t steps = integrate_adaptive(make_controlled<error_stepper_type>(params.eps_abs, params.eps_rel),
                                            boost_rhs, x_0, params.tmin, params.tmax, params.delta_t, push_back_state_and_time(x_vec, t));

    solution.clear();
    solution.resize(steps);
    for(size_t i = 0; i < steps; ++i)
        solution[i] = std::make_pair(t[i], x_vec[i]);
}

void solve_equation_with_Boost_class(std::vector<std::pair<double, state_type>> &solution, const simulation_parameters &params){
    using namespace boost::numeric::odeint;
    typedef runge_kutta_fehlberg78<state_type> error_stepper_type;
    state_type x_0 = state_type{1.};
    typedef controlled_runge_kutta< error_stepper_type > controlled_stepper_type;
    controlled_stepper_type controlled_stepper;

    std::vector<state_type> x_vec;
    std::vector<double> t;

    boost_calculator local_calculator(dim);

    const size_t steps = integrate_adaptive(make_controlled<error_stepper_type>(params.eps_abs, params.eps_rel),
                                            local_calculator, x_0, params.tmin, params.tmax, params.delta_t, push_back_state_and_time(x_vec, t));

    solution.clear();
    solution.resize(steps);
    for(size_t i = 0; i < steps; ++i)
        solution[i] = std::make_pair(t[i], x_vec[i]);
}

int main()
{
    std::vector<std::pair<double, state_type>> GSL_solution;
    std::vector<std::pair<double, state_type>> boost_solution, boost_class_solution;

    simulation_parameters local_sim_params;

    auto t1 = std::chrono::high_resolution_clock::now();
    for(size_t i = 0; i < bench_rounds; ++i)
        solve_equation_with_GSL(GSL_solution, local_sim_params);
    auto t2 = std::chrono::high_resolution_clock::now();
    auto t3 = std::chrono::high_resolution_clock::now();
    for(size_t i = 0; i < bench_rounds; ++i)
        solve_equation_with_Boost (boost_solution, local_sim_params);
    auto t4 = std::chrono::high_resolution_clock::now();

    auto t5 = std::chrono::high_resolution_clock::now();
    for(size_t i = 0; i < bench_rounds; ++i)
        solve_equation_with_Boost_class (boost_class_solution, local_sim_params);
    auto t6 = std::chrono::high_resolution_clock::now();
    std::cout << "GSL-error: " << check_solution_correctness(GSL_solution)
              << ", solved within " << std::chrono::duration_cast<std::chrono::milliseconds>( t2 - t1 ).count()
              << " ms" << '\n';
    std::cout << "Boost-error: " << check_solution_correctness (boost_solution)
              << ", solved within " << std::chrono::duration_cast<std::chrono::milliseconds>( t4 - t3 ).count()
              << " ms" << '\n';
    std::cout << "Boost_class-error: " << check_solution_correctness (boost_class_solution)
              << ", solved within " << std::chrono::duration_cast<std::chrono::milliseconds>( t6 - t5 ).count()
              << " ms" << '\n';
    return 0;
}

最初我开始使用一个维度,然后将其扩展到多个维度。我目前的测试结果是

GSL-error: 1.40024e-06, solved within 30924 ms
Boost-error: 1.74368e-08, solved within 1879 ms
Boost_class-error: 1.74368e-08, solved within 10482 ms

据我所知,如果我想将参数传输到我的 rhs 计算例程,我必须创建一个单独的 class,但为了将它与 class-less 版本进行比较,我实现了两个版本。

现在,对于 dim = 1,该代码运行良好,但对于 dim > 1,我在 boost class 的 rhs 计算函数中遇到了段错误。我可以修复它的方法是每次调用该函数时调整解决方案向量的大小,但与 class-less 函数(如结果所示)相比,这会显着降低该函数的速度。因此,是否有另一种无需调整向量大小即可实现基于 class 的函数的方法?为什么 class-less 函数总是具有 f 的正确大小,但 class-函数却没有?

在class求解函数x_0中定义如下:

state_type x_0(dim, 1.);

并从 class 求解器的 operator()

中删除 resize

结果将如下所示:

GSL-error: 1.40024e-06, solved within 31397 ms
Boost-error: 1.74368e-08, solved within 152 ms
Boost_class-error: 1.74368e-06, solved within 1985 ms

仍然慢很多,但这是由于结构创建的开销造成的?如果重用 class,则可以避免开销。