hybrid_cd.h

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#pragma once
 
#include "../eigen_compat.h"
#include "../clusters.h"
#include "../math.h"
#include "slope_threshold.h"
#include <Eigen/Core>
#include <cassert>
#include <random>
#include <vector>
 
namespace slope {
 
template<typename T>
std::pair<double, double>
computeGradientAndHessian(const T& x,
                          const int ind,
                          const Eigen::MatrixXd& w,
                          const Eigen::MatrixXd& residual,
                          const Eigen::VectorXd& x_centers,
                          const Eigen::VectorXd& x_scales,
                          const double s,
                          const JitNormalization jit_normalization,
                          const int n)
{
  double gradient = 0.0;
  double hessian = 0.0;
 
  int p = x.cols();
 
  auto [k, j] = std::div(ind, p);
 
  // TODO: Avoid these copies
  Eigen::VectorXd residual_v = residual.col(k);
  Eigen::VectorXd w_v = w.col(k);
 
  switch (jit_normalization) {
    case JitNormalization::Both:
      gradient = s *
                 (x.col(j).cwiseProduct(w_v).dot(residual_v) -
                  w_v.dot(residual_v) * x_centers(j)) /
                 (n * x_scales(j));
      hessian =
        (x.col(j).cwiseAbs2().dot(w_v) - 2 * x_centers(j) * x.col(j).dot(w_v) +
         std::pow(x_centers(j), 2) * w_v.sum()) /
        (std::pow(x_scales(j), 2) * n);
      break;
 
    case JitNormalization::Center:
      gradient = s *
                 (x.col(j).cwiseProduct(w_v).dot(residual_v) -
                  w_v.dot(residual_v) * x_centers(j)) /
                 n;
      hessian =
        (x.col(j).cwiseAbs2().dot(w_v) - 2 * x_centers(j) * x.col(j).dot(w_v) +
         std::pow(x_centers(j), 2) * w_v.sum()) /
        n;
      break;
 
    case JitNormalization::Scale:
      gradient =
        s * (x.col(j).cwiseProduct(w_v).dot(residual_v)) / (n * x_scales(j));
      hessian = x.col(j).cwiseAbs2().dot(w_v) / (std::pow(x_scales(j), 2) * n);
      break;
 
    case JitNormalization::None:
      gradient = s * (x.col(j).cwiseProduct(w_v).dot(residual_v)) / n;
      hessian = x.col(j).cwiseAbs2().dot(w_v) / n;
      break;
  }
 
  return { gradient, hessian };
}
 
template<typename T>
std::pair<double, double>
computeClusterGradientAndHessian(const Eigen::MatrixBase<T>& x,
                                 const int c_ind,
                                 const std::vector<int>& s,
                                 const Clusters& clusters,
                                 const Eigen::MatrixXd& w,
                                 const Eigen::MatrixXd& residual,
                                 const Eigen::VectorXd& x_centers,
                                 const Eigen::VectorXd& x_scales,
                                 const JitNormalization jit_normalization)
{
  int n = x.rows();
  int p = x.cols();
  int m = residual.cols();
 
  Eigen::MatrixXd x_s = Eigen::MatrixXd::Zero(n, m);
 
  auto s_it = s.cbegin();
  auto c_it = clusters.cbegin(c_ind);
 
  for (; c_it != clusters.cend(c_ind); ++c_it, ++s_it) {
    int ind = *c_it;
    auto [k, j] = std::div(ind, p);
    double s = *s_it;
 
    switch (jit_normalization) {
      case JitNormalization::Both:
        x_s.col(k) += x.col(j) * (s / x_scales(j));
        x_s.col(k).array() -= x_centers(j) * s / x_scales(j);
        break;
 
      case JitNormalization::Center:
        x_s.col(k) += x.col(j) * s;
        x_s.col(k).array() -= x_centers(j) * s;
        break;
 
      case JitNormalization::Scale:
        x_s.col(k) += x.col(j) * (s / x_scales(j));
        break;
 
      case JitNormalization::None:
        x_s.col(k) += x.col(j) * s;
        break;
    }
  }
 
  double hess = 0;
  double grad = 0;
 
  for (int k = 0; k < m; ++k) {
    hess += x_s.col(k).cwiseAbs2().dot(w.col(k)) / n;
    grad += x_s.col(k).cwiseProduct(w.col(k)).dot(residual.col(k)) / n;
  }
 
  return { hess, grad };
}
 
template<typename T>
std::pair<double, double>
computeClusterGradientAndHessian(const Eigen::SparseMatrixBase<T>& x,
                                 const int c_ind,
                                 const std::vector<int>& s,
                                 const Clusters& clusters,
                                 const Eigen::MatrixXd& w,
                                 const Eigen::MatrixXd& residual,
                                 const Eigen::VectorXd& x_centers,
                                 const Eigen::VectorXd& x_scales,
                                 const JitNormalization jit_normalization)
{
  int n = x.rows();
  int p = x.cols();
  int m = residual.cols();
 
  std::vector<Eigen::Triplet<double>> triplets;
 
  Eigen::SparseMatrix<double> x_s(n, m);
  Eigen::ArrayXd offset = Eigen::ArrayXd::Zero(m);
 
  auto s_it = s.cbegin();
  auto c_it = clusters.cbegin(c_ind);
 
  for (; c_it != clusters.cend(c_ind); ++c_it, ++s_it) {
    int ind = *c_it;
    auto [k, j] = std::div(ind, p);
    double s_ind = *s_it;
 
    switch (jit_normalization) {
      case JitNormalization::Center:
        offset(k) += x_centers(j) * s_ind;
        break;
      case JitNormalization::Both:
        offset(k) += x_centers(j) * s_ind / x_scales(j);
        break;
      case JitNormalization::Scale:
        break;
      case JitNormalization::None:
        break;
    }
 
    double v = 0;
 
    for (typename T::InnerIterator it(x.derived(), j); it; ++it) {
      switch (jit_normalization) {
        case JitNormalization::Center:
          [[fallthrough]];
        case JitNormalization::None:
          v = it.value() * s_ind;
          break;
 
        case JitNormalization::Scale:
          [[fallthrough]];
        case JitNormalization::Both:
          v = it.value() * s_ind / x_scales(j);
          break;
      }
 
      triplets.emplace_back(it.row(), k, v);
    }
  }
 
  x_s.setFromTriplets(triplets.begin(), triplets.end());
  assert(slope::nonZeros(x_s) > 0);
 
  double hess = 0;
  double grad = 0;
 
  for (int k = 0; k < m; ++k) {
    Eigen::VectorXd weighted_residual = w.col(k).cwiseProduct(residual.col(k));
 
    switch (jit_normalization) {
      case JitNormalization::Center:
        [[fallthrough]];
      case JitNormalization::Both:
        hess += (x_s.col(k).cwiseAbs2().dot(w.col(k)) -
                 2 * offset(k) * x_s.col(k).dot(w.col(k)) +
                 std::pow(offset(k), 2) * w.col(k).sum()) /
                n;
        grad += x_s.col(k).dot(weighted_residual) / n -
                offset(k) * weighted_residual.sum() / n;
        break;
 
      case JitNormalization::Scale:
        [[fallthrough]];
      case JitNormalization::None:
        hess += x_s.col(k).cwiseAbs2().dot(w.col(k)) / n;
        grad += x_s.col(k).dot(weighted_residual) / n;
 
        break;
    }
  }
 
  return { hess, grad };
}
 
template<typename T>
double
coordinateDescent(Eigen::VectorXd& beta0,
                  Eigen::VectorXd& beta,
                  Eigen::MatrixXd& residual,
                  Clusters& clusters,
                  const Eigen::ArrayXd& lambda_cumsum,
                  const T& x,
                  const Eigen::MatrixXd& w,
                  const Eigen::VectorXd& x_centers,
                  const Eigen::VectorXd& x_scales,
                  const bool intercept,
                  const JitNormalization jit_normalization,
                  const bool update_clusters,
                  std::mt19937& rng,
                  const std::string& cd_type = "cyclical")
{
  using namespace Eigen;
 
  const int n = x.rows();
  const int p = x.cols();
  const int m = residual.cols();
 
  double max_abs_gradient = 0;
 
  // Create a vector of indices to process
  std::vector<int> indices;
  indices.reserve(clusters.size());
  for (int i = 0; i < clusters.size(); ++i) {
    if (clusters.coeff(i) != 0) { // Skip zero cluster
      indices.push_back(i);
    }
  }
 
  if (cd_type == "permuted") {
    std::shuffle(indices.begin(), indices.end(), rng);
  }
 
  for (int c_ind : indices) {
    // Skip if index is no longer valid due to cluster updates
    if (c_ind >= clusters.size()) {
      continue;
    }
 
    double c_old = clusters.coeff(c_ind);
 
    if (c_old == 0) {
      // We do not update the zero cluster because it can be very large, but
      // often does not change.
      continue;
    }
 
    int cluster_size = clusters.cluster_size(c_ind);
    std::vector<int> s;
    s.reserve(cluster_size);
 
    for (auto c_it = clusters.cbegin(c_ind); c_it != clusters.cend(c_ind);
         ++c_it) {
      int ind = *c_it;
      assert(ind >= 0 && ind < beta.size() && "Invalid index in cluster");
      double s_ind = sign(beta(ind));
      s.emplace_back(s_ind);
    }
 
    double hess = 1;
    double grad = 0;
    VectorXd x_s(n);
 
    if (cluster_size == 1) {
      int ind = *clusters.cbegin(c_ind);
      std::tie(grad, hess) = computeGradientAndHessian(
        x, ind, w, residual, x_centers, x_scales, s[0], jit_normalization, n);
    } else {
      std::tie(hess, grad) =
        computeClusterGradientAndHessian(x,
                                         c_ind,
                                         s,
                                         clusters,
                                         w,
                                         residual,
                                         x_centers,
                                         x_scales,
                                         jit_normalization);
    }
 
    max_abs_gradient = std::max(max_abs_gradient, std::abs(grad));
 
    double c_tilde;
    int new_index;
 
    std::tie(c_tilde, new_index) = slopeThreshold(
      c_old - grad / hess, c_ind, lambda_cumsum / hess, clusters);
 
    assert(c_tilde == 0 || new_index < clusters.size());
    assert(new_index >= 0 && new_index <= clusters.size());
 
    double c_diff = c_old - c_tilde;
 
    if (c_diff != 0) {
      auto s_it = s.cbegin();
      auto c_it = clusters.cbegin(c_ind);
      for (; c_it != clusters.cend(c_ind); ++c_it, ++s_it) {
        int ind = *c_it;
        auto [k, j] = std::div(ind, p);
        double s_ind = *s_it;
 
        // Update coefficient
        beta(ind) = c_tilde * s_ind;
 
        // Update residual
        switch (jit_normalization) {
          case JitNormalization::Both:
            residual.col(k) -= x.col(j) * (s_ind * c_diff / x_scales(j));
            residual.col(k).array() +=
              x_centers(j) * s_ind * c_diff / x_scales(j);
            break;
 
          case JitNormalization::Center:
            residual.col(k) -= x.col(j) * (s_ind * c_diff);
            residual.col(k).array() += x_centers(j) * s_ind * c_diff;
            break;
 
          case JitNormalization::Scale:
            residual.col(k) -= x.col(j) * (s_ind * c_diff / x_scales(j));
            break;
 
          case JitNormalization::None:
            residual.col(k) -= x.col(j) * (s_ind * c_diff);
            break;
        }
      }
    }
 
    if (update_clusters) {
      clusters.update(c_ind, new_index, std::abs(c_tilde));
    } else {
      clusters.setCoeff(c_ind, std::abs(c_tilde));
    }
  }
 
  if (intercept) {
    for (int k = 0; k < residual.cols(); ++k) {
      double beta0_update = residual.col(k).dot(w.col(k)) / n;
      residual.col(k).array() -= beta0_update;
      beta0(k) -= beta0_update;
    }
  }
 
  return max_abs_gradient;
}
 
} // namespace slope