scikit-learn/sklearn/tree/_utils.pyx

674 lines
23 KiB
Cython

# cython: cdivision=True
# cython: boundscheck=False
# cython: wraparound=False
# Authors: Gilles Louppe <g.louppe@gmail.com>
# Peter Prettenhofer <peter.prettenhofer@gmail.com>
# Arnaud Joly <arnaud.v.joly@gmail.com>
# Jacob Schreiber <jmschreiber91@gmail.com>
# Nelson Liu <nelson@nelsonliu.me>
#
#
# License: BSD 3 clause
from libc.stdlib cimport free
from libc.stdlib cimport malloc
from libc.stdlib cimport calloc
from libc.stdlib cimport realloc
from libc.math cimport log as ln
import numpy as np
cimport numpy as np
np.import_array()
# =============================================================================
# Helper functions
# =============================================================================
cdef realloc_ptr safe_realloc(realloc_ptr* p, size_t nelems) except *:
# sizeof(realloc_ptr[0]) would be more like idiomatic C, but causes Cython
# 0.20.1 to crash.
cdef size_t nbytes = nelems * sizeof(p[0][0])
if nbytes / sizeof(p[0][0]) != nelems:
# Overflow in the multiplication
raise MemoryError("could not allocate (%d * %d) bytes"
% (nelems, sizeof(p[0][0])))
cdef realloc_ptr tmp = <realloc_ptr>realloc(p[0], nbytes)
if tmp == NULL:
raise MemoryError("could not allocate %d bytes" % nbytes)
p[0] = tmp
return tmp # for convenience
def _realloc_test():
# Helper for tests. Tries to allocate <size_t>(-1) / 2 * sizeof(size_t)
# bytes, which will always overflow.
cdef SIZE_t* p = NULL
safe_realloc(&p, <size_t>(-1) / 2)
if p != NULL:
free(p)
assert False
# rand_r replacement using a 32bit XorShift generator
# See http://www.jstatsoft.org/v08/i14/paper for details
cdef inline UINT32_t our_rand_r(UINT32_t* seed) nogil:
seed[0] ^= <UINT32_t>(seed[0] << 13)
seed[0] ^= <UINT32_t>(seed[0] >> 17)
seed[0] ^= <UINT32_t>(seed[0] << 5)
return seed[0] % (<UINT32_t>RAND_R_MAX + 1)
cdef inline np.ndarray sizet_ptr_to_ndarray(SIZE_t* data, SIZE_t size):
"""Encapsulate data into a 1D numpy array of intp's."""
cdef np.npy_intp shape[1]
shape[0] = <np.npy_intp> size
return np.PyArray_SimpleNewFromData(1, shape, np.NPY_INTP, data)
cdef inline SIZE_t rand_int(SIZE_t low, SIZE_t high,
UINT32_t* random_state) nogil:
"""Generate a random integer in [0; end)."""
return low + our_rand_r(random_state) % (high - low)
cdef inline double rand_uniform(double low, double high,
UINT32_t* random_state) nogil:
"""Generate a random double in [low; high)."""
return ((high - low) * <double> our_rand_r(random_state) /
<double> RAND_R_MAX) + low
cdef inline double log(double x) nogil:
return ln(x) / ln(2.0)
# =============================================================================
# Stack data structure
# =============================================================================
cdef class Stack:
"""A LIFO data structure.
Attributes
----------
capacity : SIZE_t
The elements the stack can hold; if more added then ``self.stack_``
needs to be resized.
top : SIZE_t
The number of elements currently on the stack.
stack : StackRecord pointer
The stack of records (upward in the stack corresponds to the right).
"""
def __cinit__(self, SIZE_t capacity):
self.capacity = capacity
self.top = 0
self.stack_ = <StackRecord*> malloc(capacity * sizeof(StackRecord))
if self.stack_ == NULL:
raise MemoryError()
def __dealloc__(self):
free(self.stack_)
cdef bint is_empty(self) nogil:
return self.top <= 0
cdef int push(self, SIZE_t start, SIZE_t end, SIZE_t depth, SIZE_t parent,
bint is_left, double impurity,
SIZE_t n_constant_features) nogil:
"""Push a new element onto the stack.
Returns 0 if successful; -1 on out of memory error.
"""
cdef SIZE_t top = self.top
cdef StackRecord* stack = NULL
# Resize if capacity not sufficient
if top >= self.capacity:
self.capacity *= 2
stack = <StackRecord*> realloc(self.stack_,
self.capacity * sizeof(StackRecord))
if stack == NULL:
# no free; __dealloc__ handles that
return -1
self.stack_ = stack
stack = self.stack_
stack[top].start = start
stack[top].end = end
stack[top].depth = depth
stack[top].parent = parent
stack[top].is_left = is_left
stack[top].impurity = impurity
stack[top].n_constant_features = n_constant_features
# Increment stack pointer
self.top = top + 1
return 0
cdef int pop(self, StackRecord* res) nogil:
"""Remove the top element from the stack and copy to ``res``.
Returns 0 if pop was successful (and ``res`` is set); -1
otherwise.
"""
cdef SIZE_t top = self.top
cdef StackRecord* stack = self.stack_
if top <= 0:
return -1
res[0] = stack[top - 1]
self.top = top - 1
return 0
# =============================================================================
# PriorityHeap data structure
# =============================================================================
cdef void heapify_up(PriorityHeapRecord* heap, SIZE_t pos) nogil:
"""Restore heap invariant parent.improvement > child.improvement from
``pos`` upwards. """
if pos == 0:
return
cdef SIZE_t parent_pos = (pos - 1) / 2
if heap[parent_pos].improvement < heap[pos].improvement:
heap[parent_pos], heap[pos] = heap[pos], heap[parent_pos]
heapify_up(heap, parent_pos)
cdef void heapify_down(PriorityHeapRecord* heap, SIZE_t pos,
SIZE_t heap_length) nogil:
"""Restore heap invariant parent.improvement > children.improvement from
``pos`` downwards. """
cdef SIZE_t left_pos = 2 * (pos + 1) - 1
cdef SIZE_t right_pos = 2 * (pos + 1)
cdef SIZE_t largest = pos
if (left_pos < heap_length and
heap[left_pos].improvement > heap[largest].improvement):
largest = left_pos
if (right_pos < heap_length and
heap[right_pos].improvement > heap[largest].improvement):
largest = right_pos
if largest != pos:
heap[pos], heap[largest] = heap[largest], heap[pos]
heapify_down(heap, largest, heap_length)
cdef class PriorityHeap:
"""A priority queue implemented as a binary heap.
The heap invariant is that the impurity improvement of the parent record
is larger then the impurity improvement of the children.
Attributes
----------
capacity : SIZE_t
The capacity of the heap
heap_ptr : SIZE_t
The water mark of the heap; the heap grows from left to right in the
array ``heap_``. The following invariant holds ``heap_ptr < capacity``.
heap_ : PriorityHeapRecord*
The array of heap records. The maximum element is on the left;
the heap grows from left to right
"""
def __cinit__(self, SIZE_t capacity):
self.capacity = capacity
self.heap_ptr = 0
self.heap_ = <PriorityHeapRecord*> malloc(capacity * sizeof(PriorityHeapRecord))
if self.heap_ == NULL:
raise MemoryError()
def __dealloc__(self):
free(self.heap_)
cdef bint is_empty(self) nogil:
return self.heap_ptr <= 0
cdef int push(self, SIZE_t node_id, SIZE_t start, SIZE_t end, SIZE_t pos,
SIZE_t depth, bint is_leaf, double improvement,
double impurity, double impurity_left,
double impurity_right) nogil:
"""Push record on the priority heap.
Returns 0 if successful; -1 on out of memory error.
"""
cdef SIZE_t heap_ptr = self.heap_ptr
cdef PriorityHeapRecord* heap = NULL
# Resize if capacity not sufficient
if heap_ptr >= self.capacity:
self.capacity *= 2
heap = <PriorityHeapRecord*> realloc(self.heap_,
self.capacity *
sizeof(PriorityHeapRecord))
if heap == NULL:
# no free; __dealloc__ handles that
return -1
self.heap_ = heap
# Put element as last element of heap
heap = self.heap_
heap[heap_ptr].node_id = node_id
heap[heap_ptr].start = start
heap[heap_ptr].end = end
heap[heap_ptr].pos = pos
heap[heap_ptr].depth = depth
heap[heap_ptr].is_leaf = is_leaf
heap[heap_ptr].impurity = impurity
heap[heap_ptr].impurity_left = impurity_left
heap[heap_ptr].impurity_right = impurity_right
heap[heap_ptr].improvement = improvement
# Heapify up
heapify_up(heap, heap_ptr)
# Increase element count
self.heap_ptr = heap_ptr + 1
return 0
cdef int pop(self, PriorityHeapRecord* res) nogil:
"""Remove max element from the heap. """
cdef SIZE_t heap_ptr = self.heap_ptr
cdef PriorityHeapRecord* heap = self.heap_
if heap_ptr <= 0:
return -1
# Take first element
res[0] = heap[0]
# Put last element to the front
heap[0], heap[heap_ptr - 1] = heap[heap_ptr - 1], heap[0]
# Restore heap invariant
if heap_ptr > 1:
heapify_down(heap, 0, heap_ptr - 1)
self.heap_ptr = heap_ptr - 1
return 0
# =============================================================================
# WeightedPQueue data structure
# =============================================================================
cdef class WeightedPQueue:
"""A priority queue class, always sorted in increasing order.
Attributes
----------
capacity : SIZE_t
The capacity of the priority queue.
array_ptr : SIZE_t
The water mark of the priority queue; the priority queue grows from
left to right in the array ``array_``. ``array_ptr`` is always
less than ``capacity``.
array_ : WeightedPQueueRecord*
The array of priority queue records. The minimum element is on the
left at index 0, and the maximum element is on the right at index
``array_ptr-1``.
"""
def __cinit__(self, SIZE_t capacity):
self.capacity = capacity
self.array_ptr = 0
safe_realloc(&self.array_, capacity)
if self.array_ == NULL:
raise MemoryError()
def __dealloc__(self):
free(self.array_)
cdef void reset(self) nogil:
"""Reset the WeightedPQueue to its state at construction"""
self.array_ptr = 0
self.array_ = <WeightedPQueueRecord*> calloc(self.capacity,
sizeof(WeightedPQueueRecord))
cdef bint is_empty(self) nogil:
return self.array_ptr <= 0
cdef SIZE_t size(self) nogil:
return self.array_ptr
cdef int push(self, DOUBLE_t data, DOUBLE_t weight) nogil:
"""Push record on the array.
Returns 0 if successful; -1 on out of memory error.
"""
cdef SIZE_t array_ptr = self.array_ptr
cdef WeightedPQueueRecord* array = NULL
cdef SIZE_t i
# Resize if capacity not sufficient
if array_ptr >= self.capacity:
self.capacity *= 2
array = <WeightedPQueueRecord*> realloc(self.array_,
self.capacity *
sizeof(WeightedPQueueRecord))
if array == NULL:
# no free; __dealloc__ handles that
return -1
self.array_ = array
# Put element as last element of array
array = self.array_
array[array_ptr].data = data
array[array_ptr].weight = weight
# bubble last element up according until it is sorted
# in ascending order
i = array_ptr
while(i != 0 and array[i].data < array[i-1].data):
array[i], array[i-1] = array[i-1], array[i]
i -= 1
# Increase element count
self.array_ptr = array_ptr + 1
return 0
cdef int remove(self, DOUBLE_t data, DOUBLE_t weight) nogil:
"""Remove a specific value/weight record from the array.
Returns 0 if successful, -1 if record not found."""
cdef SIZE_t array_ptr = self.array_ptr
cdef WeightedPQueueRecord* array = self.array_
cdef SIZE_t idx_to_remove = -1
cdef SIZE_t i
if array_ptr <= 0:
return -1
# find element to remove
for i in range(array_ptr):
if array[i].data == data and array[i].weight == weight:
idx_to_remove = i
break
if idx_to_remove == -1:
return -1
# shift the elements after the removed element
# to the left.
for i in range(idx_to_remove, array_ptr-1):
array[i] = array[i+1]
self.array_ptr = array_ptr - 1
return 0
cdef int pop(self, DOUBLE_t* data, DOUBLE_t* weight) nogil:
"""Remove the top (minimum) element from array.
Returns 0 if successful, -1 if nothing to remove."""
cdef SIZE_t array_ptr = self.array_ptr
cdef WeightedPQueueRecord* array = self.array_
cdef SIZE_t i
if array_ptr <= 0:
return -1
data[0] = array[0].data
weight[0] = array[0].weight
# shift the elements after the removed element
# to the left.
for i in range(0, array_ptr-1):
array[i] = array[i+1]
self.array_ptr = array_ptr - 1
return 0
cdef int peek(self, DOUBLE_t* data, DOUBLE_t* weight) nogil:
"""Write the top element from array to a pointer.
Returns 0 if successful, -1 if nothing to write."""
cdef WeightedPQueueRecord* array = self.array_
if self.array_ptr <= 0:
return -1
# Take first value
data[0] = array[0].data
weight[0] = array[0].weight
return 0
cdef DOUBLE_t get_weight_from_index(self, SIZE_t index) nogil:
"""Given an index between [0,self.current_capacity], access
the appropriate heap and return the requested weight"""
cdef WeightedPQueueRecord* array = self.array_
# get weight at index
return array[index].weight
cdef DOUBLE_t get_value_from_index(self, SIZE_t index) nogil:
"""Given an index between [0,self.current_capacity], access
the appropriate heap and return the requested value"""
cdef WeightedPQueueRecord* array = self.array_
# get value at index
return array[index].data
# =============================================================================
# WeightedMedianCalculator data structure
# =============================================================================
cdef class WeightedMedianCalculator:
"""A class to handle calculation of the weighted median from streams of
data. To do so, it maintains a parameter ``k`` such that the sum of the
weights in the range [0,k) is greater than or equal to half of the total
weight. By minimizing the value of ``k`` that fulfills this constraint,
calculating the median is done by either taking the value of the sample
at index ``k-1`` of ``samples`` (samples[k-1].data) or the average of
the samples at index ``k-1`` and ``k`` of ``samples``
((samples[k-1] + samples[k]) / 2).
Attributes
----------
initial_capacity : SIZE_t
The initial capacity of the WeightedMedianCalculator.
samples : WeightedPQueue
Holds the samples (consisting of values and their weights) used in the
weighted median calculation.
total_weight : DOUBLE_t
The sum of the weights of items in ``samples``. Represents the total
weight of all samples used in the median calculation.
k : SIZE_t
Index used to calculate the median.
sum_w_0_k : DOUBLE_t
The sum of the weights from samples[0:k]. Used in the weighted
median calculation; minimizing the value of ``k`` such that
``sum_w_0_k`` >= ``total_weight / 2`` provides a mechanism for
calculating the median in constant time.
"""
def __cinit__(self, SIZE_t initial_capacity):
self.initial_capacity = initial_capacity
self.samples = WeightedPQueue(initial_capacity)
self.total_weight = 0
self.k = 0
self.sum_w_0_k = 0
cdef SIZE_t size(self) nogil:
"""Return the number of samples in the
WeightedMedianCalculator"""
return self.samples.size()
cdef void reset(self) nogil:
"""Reset the WeightedMedianCalculator to its state at construction"""
self.samples.reset()
self.total_weight = 0
self.k = 0
self.sum_w_0_k = 0
cdef int push(self, DOUBLE_t data, DOUBLE_t weight) nogil:
"""Push a value and its associated weight
to the WeightedMedianCalculator to be considered
in the median calculation.
"""
cdef int return_value
cdef DOUBLE_t original_median
if self.size() != 0:
original_median = self.get_median()
return_value = self.samples.push(data, weight)
self.update_median_parameters_post_push(data, weight,
original_median)
return return_value
cdef int update_median_parameters_post_push(self, DOUBLE_t data,
DOUBLE_t weight,
DOUBLE_t original_median) nogil:
"""Update the parameters used in the median calculation,
namely `k` and `sum_w_0_k` after an insertion"""
# trivial case of one element.
if self.size() == 1:
self.k = 1
self.total_weight = weight
self.sum_w_0_k = self.total_weight
return 0
# get the original weighted median
self.total_weight += weight
if data < original_median:
# inserting below the median, so increment k and
# then update self.sum_w_0_k accordingly by adding
# the weight that was added.
self.k += 1
# update sum_w_0_k by adding the weight added
self.sum_w_0_k += weight
# minimize k such that sum(W[0:k]) >= total_weight / 2
# minimum value of k is 1
while(self.k > 1 and ((self.sum_w_0_k -
self.samples.get_weight_from_index(self.k-1))
>= self.total_weight / 2.0)):
self.k -= 1
self.sum_w_0_k -= self.samples.get_weight_from_index(self.k)
return 0
if data >= original_median:
# inserting above or at the median
# minimize k such that sum(W[0:k]) >= total_weight / 2
while(self.k < self.samples.size() and
(self.sum_w_0_k < self.total_weight / 2.0)):
self.k += 1
self.sum_w_0_k += self.samples.get_weight_from_index(self.k-1)
return 0
cdef int remove(self, DOUBLE_t data, DOUBLE_t weight) nogil:
"""Remove a value from the MedianHeap, removing it
from consideration in the median calculation
"""
cdef int return_value
cdef DOUBLE_t original_median
if self.size() != 0:
original_median = self.get_median()
return_value = self.samples.remove(data, weight)
self.update_median_parameters_post_remove(data, weight,
original_median)
return return_value
cdef int pop(self, DOUBLE_t* data, DOUBLE_t* weight) nogil:
"""Pop a value from the MedianHeap, starting from the
left and moving to the right.
"""
cdef int return_value
cdef double original_median
if self.size() != 0:
original_median = self.get_median()
# no elements to pop
if self.samples.size() == 0:
return -1
return_value = self.samples.pop(data, weight)
self.update_median_parameters_post_remove(data[0],
weight[0],
original_median)
return return_value
cdef int update_median_parameters_post_remove(self, DOUBLE_t data,
DOUBLE_t weight,
double original_median) nogil:
"""Update the parameters used in the median calculation,
namely `k` and `sum_w_0_k` after a removal"""
# reset parameters because it there are no elements
if self.samples.size() == 0:
self.k = 0
self.total_weight = 0
self.sum_w_0_k = 0
return 0
# trivial case of one element.
if self.samples.size() == 1:
self.k = 1
self.total_weight -= weight
self.sum_w_0_k = self.total_weight
return 0
# get the current weighted median
self.total_weight -= weight
if data < original_median:
# removing below the median, so decrement k and
# then update self.sum_w_0_k accordingly by subtracting
# the removed weight
self.k -= 1
# update sum_w_0_k by removing the weight at index k
self.sum_w_0_k -= weight
# minimize k such that sum(W[0:k]) >= total_weight / 2
# by incrementing k and updating sum_w_0_k accordingly
# until the condition is met.
while(self.k < self.samples.size() and
(self.sum_w_0_k < self.total_weight / 2.0)):
self.k += 1
self.sum_w_0_k += self.samples.get_weight_from_index(self.k-1)
return 0
if data >= original_median:
# removing above the median
# minimize k such that sum(W[0:k]) >= total_weight / 2
while(self.k > 1 and ((self.sum_w_0_k -
self.samples.get_weight_from_index(self.k-1))
>= self.total_weight / 2.0)):
self.k -= 1
self.sum_w_0_k -= self.samples.get_weight_from_index(self.k)
return 0
cdef DOUBLE_t get_median(self) nogil:
"""Write the median to a pointer, taking into account
sample weights."""
if self.sum_w_0_k == (self.total_weight / 2.0):
# split median
return (self.samples.get_value_from_index(self.k) +
self.samples.get_value_from_index(self.k-1)) / 2.0
if self.sum_w_0_k > (self.total_weight / 2.0):
# whole median
return self.samples.get_value_from_index(self.k-1)