CoverTree
The CoverTree class implements the cover tree, a hierarchical tree structure
with favorable theoretical properties. The cover tree is useful for efficient
distance operations (such as nearest neighbor search) in low to moderate
dimensions.
mlpackβs CoverTree implementation supports three template parameters for
configurable behavior, and implements all the functionality required by the
TreeType API, plus some
additional functionality specific to cover trees.
Due to the extra bookkeeping and complexity required to achieve its theoretical
guarantees, the CoverTree is often not as fast for nearest neighbor search as
the KDTree. However, CoverTree is more flexible: it is able to
work with any distance metric, not just
LMetric.
- Template parameters
- Constructors
- Basic tree properties
- Bounding distances with the tree
- Tree traversals
- Example usage
π See also
- Cover tree on Wikipedia
KDTree- Cover trees for nearest neighbor (pdf)
- Tree-Independent Dual-Tree Algorithms (pdf)
π Template parameters
The CoverTree class takes four template parameters, the first three of which
are required by the
TreeType API
(see also this more detailed section).
CoverTree<DistanceType, StatisticType, MatType, RootPointPolicy>
DistanceType: the distance metric to use for distance computations. By default, this isEuclideanDistance.StatisticType: this holds auxiliary information in each tree node. By default,EmptyStatisticis used, which holds no information.MatType: the type of matrix used to represent points. Must be a type matching the Armadillo API. By default,arma::matis used, but other types such asarma::fmator similar will work just fine.RootPointPolicy: controls how the root of the tree is selected. By default,FirstPointIsRootis used, which simply uses the first point of the dataset as the root of the tree.- A custom
RootPointPolicymust implement the functionstatic size_t ChooseRoot(const MatType& dataset), where thesize_treturned indicates the index of the point indatasetthat should be used as the root of the tree.
- A custom
If no template parameters are explicitly specified, then defaults are used:
CoverTree<> = CoverTree<EuclideanDistance, EmptyStatistic, arma::mat,
FirstPointIsRoot>
π Constructors
CoverTrees are constructed level-by-level, without modifying the input
dataset.
node = CoverTree(data, base=2.0)node = CoverTree(data, distance, base=2.0)- Construct a
CoverTreeon the givendata, using the givenbaseif specified. - Optionally, specify an instantiated distance metric
distanceto use to construct the tree.
- Construct a
Notes:
-
The name
nodeis used here forCoverTreeobjects instead oftree, because eachCoverTreeobject is a single node in the tree. The constructor returns the node that is the root of the tree. -
In a
CoverTree, it is not guaranteed that the ball bounds for nodes are disjoint; they may be overlapping. This is because for many datasets, it is geometrically impossible to construct disjoint balls that cover the entire set of points. -
Inserting individual points or removing individual points from a
CoverTreeis not supported, because this generally results in a cover tree with very loose bounding balls. It is better to simply build a newCoverTreeon the modified dataset. For trees that support individual insertion and deletions, see theRectangleTreeclass and all its variants (e.g.RTree,RStarTree, etc.). -
See also the developer documentation on tree constructors.
π Constructor parameters:
| name | type | description | default |
|---|---|---|---|
data |
arma::mat |
Column-major matrix to build the tree on. Optionally pass with std::move(data) to transfer ownership to the tree. |
(N/A) |
distance |
DistanceType |
Instantiated distance metric (optional). | EuclideanDistance() |
base |
double |
Shrinkage factor of each level of the cover tree. Must be greater than 1. | 2.0 |
Notes:
-
According to the original paper (pdf), sometimes a smaller base (more like 1.3 or 1.5) can provide better empirical results in practice.
-
An instantiated
distanceis only necessary when a customDistanceTypewas specified as a template parameter, and that distance type that require state. So, this is not needed when using the defaultEuclideanDistance.
π Basic tree properties
Once a CoverTree object is constructed, various properties of the tree can be
accessed or inspected. Many of these functions are required by the TreeType
API.
π Navigating the tree
-
node.NumChildren()returns the number of children innode. If0, thennodeis a leaf. -
node.IsLeaf()returns aboolindicating whether or notnodeis a leaf. node.Child(i)returns aCoverTree&that is theith child.- This function should only be called if
node.NumChildren()is not0(e.g. ifnodeis not a leaf). Note that this returns a validCoverTree&that can itself be used just like the root node of the tree!
- This function should only be called if
-
node.Parent()will return aCoverTree*that points to the parent ofnode, orNULLifnodeis the root of theCoverTree. -
node.Base()will return the value ofbaseused to build the tree. This is the same for all nodes in a tree. node.Scale()will return anintrepresenting the level of the node in the cover tree. Larger values represent higher levels in the tree, andINT_MINmeans thatnodeis a leaf.- All descendant points are contained within a distance of
node.Base()raised to a power ofnode.Scale().
- All descendant points are contained within a distance of
π Accessing members of a tree
-
node.Stat()will return anEmptyStatistic&(or aStatisticType&if a customStatisticTypewas specified as a template parameter) holding the statistics of the node that were computed during tree construction. -
node.Distance()will return aEuclideanDistance&(or aDistanceType&if a customDistanceTypewas specified as a template parameter).
See also the developer documentation for basic tree functionality in mlpack.
π Accessing data held in a tree
node.Dataset()will return aconst arma::mat&that is the dataset the tree was built on.- If a custom
MatTypeis being used, the return type will beconst MatType&instead ofconst arma::mat&.
- If a custom
-
node.NumPoints()returns1: all cover tree nodes hold only one point. node.Point()returns asize_tindicating the index of the point held bynodeinnode.Dataset().- For consistency with other tree types,
node.Point(i)is also available, butimust be0(because cover tree nodes must hold only one point). - The point in
nodecan then be accessed asnode.Dataset().col(node.Point()).
- For consistency with other tree types,
node.NumDescendants()returns asize_tindicating the number of points held in all descendant leaves ofnode.- If
nodeis the root of the tree, thennode.NumDescendants()will be equal tonode.Dataset().n_cols.
- If
node.Descendant(i)returns asize_tindicating the index of theiβth descendant point innode.Dataset().imust be in the range[0, node.NumDescendants() - 1](inclusive).nodedoes not need to be a leaf.- The
iβth descendant point innodecan then be accessed asnode.Dataset().col(node.Descendant(i)). - Descendant point indices are not necessarily contiguous for cover trees;
that is,
node.Descendant(i) + 1is not necessarilynode.Descendant(i + 1).
π Accessing computed bound quantities of a tree
The following quantities are cached for each node in a CoverTree, and so
accessing them does not require any computation.
-
node.FurthestPointDistance()returns adoublerepresenting the distance between the center of the bounding ball ofnodeand the furthest point held bynode. This value is always0for cover trees, as they only hold one point, which is the center of the bounding ball. node.FurthestDescendantDistance()returns adoublerepresenting the distance between the center of the bounding ball ofnodeand the furthest descendant point held bynode.- This will always be less than
node.Base()raised to the power ofnode.Scale().
- This will always be less than
node.MinimumBoundDistance()returns adoublerepresenting the minimum possible distance from the center of the node to any edge of the bounding ball ofnode.- For cover trees, this quantity is equivalent to
node.FurthestDescendantDistance().
- For cover trees, this quantity is equivalent to
node.ParentDistance()returns adoublerepresenting the distance between the center of the bounding ball ofnodeand the center of the bounding ball of its parent.- This is equivalent to the distance between
node.Dataset().col(node.Point())andnode.Dataset().col(node.Parent()->Point()), ifnodeis not the root of the tree. - If
nodeis the root of the tree,0is returned.
- This is equivalent to the distance between
Notes:
-
If a custom
MatTypewas specified when constructing theCoverTree, then the return type of each method is the element type of the givenMatTypeinstead ofdouble. (e.g., ifMatTypeisarma::fmat, then the return type isfloat.) -
For more details on each bound quantity, see the developer documentation on bound quantities for trees.
π Other functionality
node.Center(center)stores the center of the bounding ball ofnodeincenter.centershould be of typearma::vec&. (If a customMatTypewas specified when constructing theCoverTree, the type is instead the column vector type for the givenMatType; e.g.,arma::fvec&whenMatTypeisarma::fmat.)centerwill be set to have size equivalent to the dimensionality of the dataset held bynode.- For cover trees, this sets
centerto have the same values asnode.Dataset().col(node.Point())(e.g. the point held bynode).
- A
CoverTreecan be serialized withdata::Save()anddata::Load().
π Bounding distances with the tree
The primary use of trees in mlpack is bounding distances to points or other tree nodes. The following functions can be used for these tasks.
node.GetNearestChild(point)node.GetFurthestChild(point)- Return a
size_tindicating the index of the child that is closest to (or furthest from)point, with respect to theMinDistance()(orMaxDistance()) function. - If there is a tie, the child with the highest index is returned.
- If
nodeis a leaf,0is returned. pointshould be of typearma::vec. (If a customMatTypewas specified when constructing theCoverTree, the type is instead the column vector type for the givenMatType; e.g.,arma::fvecwhenMatTypeisarma::fmat.)
- Return a
node.GetNearestChild(other)node.GetFurthestChild(other)- Return a
size_tindicating the index of the child that is closest to (or furthest from) theCoverTreenodeother, with respect to theMinDistance()(orMaxDistance()) function. - If there is a tie, the child with the highest index is returned.
- If
nodeis a leaf,0is returned.
- Return a
node.MinDistance(point)node.MinDistance(other)- Return a
doubleindicating the minimum possible distance betweennodeandpoint, or theCoverTreenodeother. - This is equivalent to the minimum possible distance between any point
contained in the bounding ball of
nodeandpoint, or between any point contained in the bounding ball ofnodeand any point contained in the bounding ball ofother. pointshould be of typearma::vec. (If a customMatTypewas specified when constructing theCoverTree, the type is instead the column vector type for the givenMatType, and the return type is the element type ofMatType; e.g.,pointshould bearma::fvecwhenMatTypeisarma::fmat, and the returned distance isfloat).
- Return a
node.MaxDistance(point)node.MaxDistance(other)- Return a
doubleindicating the maximum possible distance betweennodeandpoint, or theCoverTreenodeother. - This is equivalent to the maximum possible distance between any point
contained in the bounding ball of
nodeandpoint, or between any point contained in the bounding ball ofnodeand any point contained in the bounding ball ofother. pointshould be of typearma::vec. (If a customMatTypewas specified when constructing theCoverTree, the type is instead the column vector type for the givenMatType, and the return type is the element type ofMatType; e.g.,pointshould bearma::fvecwhenMatTypeisarma::fmat, and the returned distance isfloat).
- Return a
node.RangeDistance(point)node.RangeDistance(other)- Return a
Rangewhose lower bound isnode.MinDistance(point)ornode.MinDistance(other), and whose upper bound isnode.MaxDistance(point)ornode.MaxDistance(other). pointshould be of typearma::vec. (If a customMatTypewas specified when constructing theCoverTree, the type is instead the column vector type for the givenMatType, and the return type is aRangeTypewith element type the same asMatType; e.g.,pointshould bearma::fvecwhenMatTypeisarma::fmat, and the returned type isRangeType<float>).
- Return a
π Tree traversals
Like every mlpack tree, the CoverTree class provides a single-tree and
dual-tree traversal that can be paired
with a RuleType class to implement a
single-tree or dual-tree algorithm.
CoverTree::SingleTreeTraverser- Implements a breadth-first single-tree traverser: each level (scale) of the tree is visited, and base cases are computed and nodes are pruned before descending to the next level.
CoverTree::DualTreeTraverser- Implements a joint depth-first and breadth-first traversal as in the original paper (pdf).
- The query tree is descended in a depth-first manner; the reference tree is descended level-wise in a breadth-first manner, pruning node combinations where possible.
- The level of the query tree and reference tree are held as even as possible during the traversal; so, in general, query and reference recursions will alternate.
π Example usage
Build a CoverTree on the cloud dataset and print basic statistics about the
tree.
// See https://datasets.mlpack.org/cloud.csv.
arma::mat dataset;
mlpack::data::Load("cloud.csv", dataset, true);
// Build the cover tree with default options.
//
// The std::move() means that `dataset` will be empty after this call, and the
// tree will "own" the dataset. No data will be copied during tree building,
// regardless of whether we used `std::move()`.
//
// Note that the '<>' isn't necessary if C++20 is being used (e.g.
// `mlpack::CoverTree tree(...)` will work fine in C++20 or newer).
mlpack::CoverTree<> tree(std::move(dataset));
// Print the point held by the root node and the radius of the ball that
// contains all points:
std::cout << "Root node:" << std::endl;
std::cout << " - Base: " << tree.Base() << "." << std::endl;
std::cout << " - Scale: " << tree.Scale() << "." << std::endl;
std::cout << " - Point: " << tree.Dataset().col(tree.Point()).t();
std::cout << std::endl;
// Print the number of descendant points of the root, and of each of its
// children.
std::cout << "Descendant points of root: "
<< tree.NumDescendants() << "." << std::endl;
std::cout << "Number of children of root: " << tree.NumChildren() << "."
<< std::endl;
for (size_t c = 0; c < tree.NumChildren(); ++c)
{
std::cout << " - Descendant points of child " << c << ": "
<< tree.Child(c).NumDescendants() << "." << std::endl;
}
Build two CoverTrees on subsets of the corel dataset and compute minimum and
maximum distances between different nodes in the tree.
// See https://datasets.mlpack.org/corel-histogram.csv.
arma::mat dataset;
mlpack::data::Load("corel-histogram.csv", dataset, true);
// Build cover trees on the first half and the second half of points.
mlpack::CoverTree<> tree1(dataset.cols(0, dataset.n_cols / 2));
mlpack::CoverTree<> tree2(dataset.cols(dataset.n_cols / 2 + 1,
dataset.n_cols - 1));
// Compute the maximum distance between the trees.
std::cout << "Maximum distance between tree root nodes: "
<< tree1.MaxDistance(tree2) << "." << std::endl;
// Get a grandchild of the first tree's root---if it exists.
if (!tree1.IsLeaf() && !tree1.Child(0).IsLeaf())
{
mlpack::CoverTree<>& node1 = tree1.Child(0).Child(0);
// Get a grandchild of the second tree's root---if it exists.
if (!tree2.IsLeaf() && !tree2.Child(0).IsLeaf())
{
mlpack::CoverTree<>& node2 = tree2.Child(0).Child(0);
// Print the minimum and maximum distance between the nodes.
mlpack::Range dists = node1.RangeDistance(node2);
std::cout << "Possible distances between two grandchild nodes: ["
<< dists.Lo() << ", " << dists.Hi() << "]." << std::endl;
// Print the minimum distance between the first node and the first
// descendant point of the second node.
const size_t descendantIndex = node2.Descendant(0);
const double descendantMinDist =
node1.MinDistance(node2.Dataset().col(descendantIndex));
std::cout << "Minimum distance between grandchild node and descendant "
<< "point: " << descendantMinDist << "." << std::endl;
// Which child of node2 is closer to node1?
const size_t closestIndex = node2.GetNearestChild(node1);
std::cout << "Child " << closestIndex << " of node2 is closest to node1."
<< std::endl;
// And which child of node1 is further from node2?
const size_t furthestIndex = node1.GetFurthestChild(node2);
std::cout << "Child " << furthestIndex << " of node1 is furthest from "
<< "node2." << std::endl;
}
}
Build a CoverTree on 32-bit floating point data and save it to disk.
// See https://datasets.mlpack.org/corel-histogram.csv.
arma::fmat dataset;
mlpack::data::Load("corel-histogram.csv", dataset);
// Build the CoverTree using 32-bit floating point data as the matrix type.
// We will still use the default EmptyStatistic and EuclideanDistance
// parameters.
mlpack::CoverTree<mlpack::EuclideanDistance,
mlpack::EmptyStatistic,
arma::fmat> tree(dataset);
// Save the CoverTree to disk with the name 'tree'.
mlpack::data::Save("tree.bin", "tree", tree);
std::cout << "Saved tree with " << tree.Dataset().n_cols << " points to "
<< "'tree.bin'." << std::endl;
Load a 32-bit floating point CoverTree from disk, then traverse it manually
and find the number of leaf nodes with fewer than 10 points.
// This assumes the tree has already been saved to 'tree.bin' (as in the example
// above).
// This convenient typedef saves us a long type name!
using TreeType = mlpack::CoverTree<mlpack::EuclideanDistance,
mlpack::EmptyStatistic,
arma::fmat>;
TreeType tree;
mlpack::data::Load("tree.bin", "tree", tree);
std::cout << "Tree loaded with " << tree.NumDescendants() << " points."
<< std::endl;
// Recurse in a depth-first manner. Count both the total number of leaves, and
// the number of nodes with more than 100 descendants.
size_t moreThan100Count = 0;
size_t totalLeafCount = 0;
std::stack<TreeType*> stack;
stack.push(&tree);
while (!stack.empty())
{
TreeType* node = stack.top();
stack.pop();
if (node->NumDescendants() > 100)
++moreThan100Count;
if (node->IsLeaf())
++totalLeafCount;
for (size_t c = 0; c < node->NumChildren(); ++c)
stack.push(&node->Child(c));
}
// Note that it would be possible to use TreeType::SingleTreeTraverser to
// perform the recursion above, but that is more well-suited for more complex
// tasks that require pruning and other non-trivial behavior; so using a simple
// stack is the better option here.
// Print the results.
std::cout << "Tree contains " << totalLeafCount << " leaves." << std::endl;
std::cout << moreThan100Count << " nodes have more than 100 descendants."
<< std::endl;