squash_clustering.cpp

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/*
    Genesis - A toolkit for working with phylogenetic data.
    Copyright (C) 2014-2018 Lucas Czech and HITS gGmbH

    This program is free software: you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
    (at your option) any later version.

    This program 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 General Public License for more details.

    You should have received a copy of the GNU General Public License
    along with this program.  If not, see <http://www.gnu.org/licenses/>.

    Contact:
    Lucas Czech <lucas.czech@h-its.org>
    Exelixis Lab, Heidelberg Institute for Theoretical Studies
    Schloss-Wolfsbrunnenweg 35, D-69118 Heidelberg, Germany
*/

#include "genesis/tree/mass_tree/squash_clustering.hpp"

#include "genesis/tree/mass_tree/emd.hpp"
#include "genesis/tree/mass_tree/functions.hpp"

#include "genesis/utils/core/logging.hpp"

#include <algorithm>
#include <cassert>
#include <cmath>
#include <stdexcept>
#include <utility>
#include <vector>

#ifdef GENESIS_OPENMP
#   include <omp.h>
#endif

namespace genesis {
namespace tree {

// =================================================================================================
//     Squash Clustering
// =================================================================================================

void SquashClustering::init_( std::vector<MassTree>&& trees )
{
    // Clear. Both its clusters and mergeres are empty.
    clear();

    // Move all trees as single data points to the cluster list, and make them active.
    clusters_.resize( trees.size() );
    for( size_t i = 0; i < trees.size(); ++i ) {
        clusters_[i].tree   = std::move( trees[i] );
        clusters_[i].count  = 1;
        clusters_[i].active = true;
    }

    // Fill the "lower triangle" of distances, i.e., all distances to elements with lower indices
    // than the current one. We don't store this in a global distance matix, but in a vector
    // for each cluster instead, as this makes it trivial to keep track of the data when merging
    // clusters. No need to keep track of which row belongs to which cluster etc.
    // We do this in a second loop, so that all trees haven been moved and OpenMP can access them.
    for( size_t i = 0; i < clusters_.size(); ++i ) {

        // The cluster need i many distance entries, i.e., cluster 0 needs 0 entries,
        // cluster 1 needs 1 entry (to compare it to cluster 0), and so forth.
        clusters_[i].distances.resize( i );

        // Calculate the distances.
        #pragma omp parallel for
        for( size_t k = 0; k < i; ++k ) {
            auto const dist = earth_movers_distance( clusters_[i].tree, clusters_[k].tree, p_ );
            clusters_[i].distances[k] = dist;
        }
    }
}

std::pair<size_t, size_t> SquashClustering::min_entry_() const
{
    // Init.
    size_t min_i = 0;
    size_t min_j = 0;
    double min_d = std::numeric_limits<double>::max();

    // Find min cell.
    #pragma omp parallel for schedule(dynamic)
    for( size_t i = 0; i < clusters_.size(); ++i ) {
        if( ! clusters_[i].active ) {
            continue;
        }

        // We only need to check the "lower triangle".
        assert( clusters_[i].distances.size() == i );
        for( size_t j = 0; j < i; ++j ) {
            if( ! clusters_[j].active ) {
                continue;
            }

            // Comparison.
            #pragma omp flush( min_d )
            if( clusters_[i].distances[j] < min_d ) {
                #pragma omp critical( GENESIS_TREE_MASS_TREE_SQUASH_CLUSTERING_MIN_ENTRY_UPDATE )
                {
                    if( clusters_[i].distances[j] < min_d ) {
                        min_i = i;
                        min_j = j;
                        min_d = clusters_[i].distances[j];
                    }
                }
            }
        }
    }

    // We return reverse order, so that i < j. This is just more intuitive to work with.
    assert( min_i > min_j );
    return { min_j, min_i };
}

void SquashClustering::merge_clusters_( size_t i, size_t j )
{
    assert( i < j );
    assert( i < clusters_.size() && j < clusters_.size() );
    assert( i < clusters_[j].distances.size() );

    // Make new cluster.
    clusters_.emplace_back();
    auto& new_cluster = clusters_.back();

    // Make a new cluster tree as the weighted average of both given trees.
    auto const weight_i = static_cast<double>( clusters_[i].count );
    auto const weight_j = static_cast<double>( clusters_[j].count );
    new_cluster.tree = mass_tree_merge_trees(
        clusters_[i].tree, clusters_[j].tree, weight_i, weight_j
    );
    mass_tree_normalize_masses( new_cluster.tree );

    // Old way: Scale masses, merge them, scale back.
    // Scale both trees according to their weight (= count).
    // mass_tree_scale_masses( clusters_[i].tree, static_cast<double>( clusters_[i].count ));
    // mass_tree_scale_masses( clusters_[j].tree, static_cast<double>( clusters_[j].count ));
    // new_cluster.tree = mass_tree_merge_trees( clusters_[i].tree, clusters_[j].tree );
    //
    // mass_tree_normalize_masses( new_cluster.tree );
    // mass_tree_scale_masses( clusters_[i].tree, 1.0 / static_cast<double>( clusters_[i].count ));
    // mass_tree_scale_masses( clusters_[j].tree, 1.0 / static_cast<double>( clusters_[j].count ));

    // Set other properties of the new cluster.
    new_cluster.count  = clusters_[i].count + clusters_[j].count;
    new_cluster.active = true;
    new_cluster.distances.resize( clusters_.size() - 1, 0.0 );

    // Calculate distances to still active clusters, which also includes the two clusters that
    // we are about to merge. We will deactivate them after the loop. This way, we also compute
    // their distances in parallel, maximizing OpenMP throughput!
    #pragma omp parallel for schedule(dynamic)
    for( size_t k = 0; k < clusters_.size() - 1; ++k ) {
        if( ! clusters_[k].active ) {
            continue;
        }

        auto const dist = earth_movers_distance( new_cluster.tree, clusters_[k].tree, p_ );
        new_cluster.distances[k] = dist;
    }

    // Get the distance between the two clusters that we want to merge,
    // and make a new cluster merger.
    mergers_.push_back({ i, new_cluster.distances[i], j, new_cluster.distances[j] });

    // Test. How much does the avg dist differ from proper emd dist?
    // We need to access the distance in reverse j i order, because of the lower triangle.
    // auto const inner_dist = clusters_[j].distances[i];
    // auto const avg_dist_i = inner_dist / static_cast<double>( clusters_[i].count );
    // auto const avg_dist_j = inner_dist / static_cast<double>( clusters_[j].count );

    // Deactive. Those two clusters are now merged.
    clusters_[i].active = false;
    clusters_[j].active = false;

    // We don't need the distances any more. Save mem.
    clusters_[i].distances.clear();
    clusters_[j].distances.clear();

    // We can also destroy those trees. For now. Maybe later, we want to write them first.
    // clusters_[i].tree.clear();
    // clusters_[j].tree.clear();
}

void SquashClustering::run( std::vector<MassTree>&& trees )
{
    // Number of trees we are going to cluster.
    auto const tree_count = trees.size();

    // Init the result object.
    // LOG_INFO << "Squash Clustering: Initialize";
    if( report_initialization ) {
        report_initialization();
    }
    init_( std::move( trees ) );

    // Do a full clustering, until only one is left.
    for( size_t i = 0; i < tree_count - 1; ++i ) {
        // LOG_INFO << "Squash Clustering: Step " << (i+1) << " of " << tree_count - 1;
        if( report_step ) {
            report_step( i + 1, tree_count - 1 );
        }

        auto const min_pair = min_entry_();
        assert( min_pair.first < min_pair.second );

        merge_clusters_( min_pair.first, min_pair.second );
    }

    // At the end, we only have one big cluster node.
    assert( 1 == [&](){
        size_t count_active = 0;
        for( auto const& c : clusters_ ) {
            if( c.active ) {
                ++count_active;
            }
        }
        return count_active;
    }() );

    // Furthermore, make sure we have created the right number of mergers and clusters.
    assert( tree_count + mergers_.size() == clusters_.size() );
}

std::string SquashClustering::tree_string( std::vector<std::string> const& labels ) const
{
    if( labels.size() != clusters_.size() - mergers_.size() ) {
        throw std::runtime_error(
            "List of labels does not have the correct size for the number of squash cluster elements."
        );
    }

    auto list = labels;
    for( size_t i = 0; i < mergers_.size(); ++i ) {
        auto const& cm = mergers_[i];

        auto node_a = list[ cm.index_a ] + ":" + std::to_string( cm.distance_a );
        auto node_b = list[ cm.index_b ] + ":" + std::to_string( cm.distance_b );

        list[ cm.index_a ].clear();
        list[ cm.index_b ].clear();

        list.push_back( "(" + node_a + "," + node_b + ")" + std::to_string( i + labels.size() ) );
    }

    return list.back() + ";";
}

void SquashClustering::clear()
{
    // p_ = 1.0;
    clusters_.clear();
    mergers_.clear();
}

} // namespace tree
} // namespace genesis