Conditional sampling of binary vectors (?) - algorithm

Question

I'm trying to find a name for my problem, so I don't have to re-invent wheel when coding an algorithm which solves it...
I have say 2,000 binary (row) vectors and I need to pick 500 from them. In the picked sample I do column sums and I want my sample to be as close as possible to a pre-defined distribution of the column sums. I'll be working with 20 to 60 columns.
A tiny example:
Out of the vectors:
110
010
011
110
100
I need to pick 2 to get column sums 2, 1, 0. The solution (exact in this case) would be
110
100
My ideas so far
one could maybe call this a binary multidimensional knapsack, but I did not find any algos for that
Linear Programming could help, but I'd need some step by step explanation as I got no experience with it
as exact solution is not always feasible, something like simulated annealing brute force could work well
a hacky way using constraint solvers comes to mind - first set the constraints tight and gradually loosen them until some solution is found - given that CSP should be much faster than ILP...?

Answer 1

My concrete, practical (if the approximation guarantee works out for you) suggestion would be to apply the maximum entropy method (in Chapter 7 of Boyd and Vandenberghe's book Convex Optimization; you can probably find several implementations with your favorite search engine) to find the maximum entropy probability distribution on row indexes such that (1) no row index is more likely than 1/500 (2) the expected value of the row vector chosen is 1/500th of the predefined distribution. Given this distribution, choose each row independently with probability 500 times its distribution likelihood, which will give you 500 rows on average. If you need exactly 500, repeat until you get exactly 500 (shouldn't take too many tries due to concentration bounds).

Answer 2

Firstly I will make some assumptions regarding this problem:
Regardless whether the column sum of the selected solution is over or under the target, it weighs the same.
The sum of the first, second, and third column are equally weighted in the solution (i.e. If there's a solution whereas the first column sum is off by 1, and another where the third column sum is off by 1, the solution are equally good).
The closest problem I can think of this problem is the Subset sum problem, which itself can be thought of a special case of Knapsack problem.
However both of these problem are NP-Complete. This means there are no polynomial time algorithm that can solve them, even though it is easy to verify the solution.
If I were you the two most arguably efficient solution of this problem are linear programming and machine learning.
Depending on how many columns you are optimising in this problem, with linear programming you can control how much finely tuned you want the solution, in exchange of time. You should read up on this, because this is fairly simple and efficient.
With Machine learning, you need a lot of data sets (the set of vectors and the set of solutions). You don't even need to specify what you want, a lot of machine learning algorithms can generally deduce what you want them to optimise based on your data set.
Both solution has pros and cons, you should decide which one to use yourself based on the circumstances and problem set.

Answer 3

This definitely can be modeled as (integer!) linear program (many problems can). Once you have it, you can use a program such as lpsolve to solve it.
We model vector i is selected as x_i which can be 0 or 1.
Then for each column c, we have a constraint:
sum of all (x_i * value of i in column c) = target for column c
Taking your example, in lp_solve this could look like:
min: ;
+x1 +x4 +x5 >= 2;
+x1 +x4 +x5 <= 2;
+x1 +x2 +x3 +x4 <= 1;
+x1 +x2 +x3 +x4 >= 1;
+x3 <= 0;
+x3 >= 0;
bin x1, x2, x3, x4, x5;

Answer 4

If you are fine with a heuristic based search approach, here is one.
Go over the list and find the minimum squared sum of the digit wise difference between each bit string and the goal. For example, if we are looking for 2, 1, 0, and we are scoring 0, 1, 0, we would do it in the following way:
Take the digit wise difference:
2, 0, 1
Square the digit wise difference:
4, 0, 1
Sum:
5
As a side note, squaring the difference when scoring is a common method when doing heuristic search. In your case, it makes sense because bit strings that have a 1 in as the first digit are a lot more interesting to us. In your case this simple algorithm would pick first 110, then 100, which would is the best solution.
In any case, there are some optimizations that could be made to this, I will post them here if this kind of approach is what you are looking for, but this is the core of the algorithm.

Answer 5

You have a given target binary vector. You want to select M vectors out of N that have the closest sum to the target. Let's say you use the eucilidean distance to measure if a selection is better than another.
If you want an exact sum, have a look at the k-sum problem which is a generalization of the 3SUM problem. The problem is harder than the subset sum problem, because you want an exact number of elements to add to a target value. There is a solution in O(N^(M/2)). lg N), but that means more than 2000^250 * 7.6 > 10^826 operations in your case (in the favorable case where vectors operations have a cost of 1).
First conclusion: do not try to get an exact result unless your vectors have some characteristics that may reduce the complexity.
Here's a hill climbing approach:
sort the vectors by number of 1's: 111... first, 000... last;
use the polynomial time approximate algorithm for the subset sum;
you have an approximate solution with K elements. Because of the order of elements (the big ones come first), K should be a little as possible:
if K >= M, you take the M first vectors of the solution and that's probably near the best you can do.
if K < M, you can remove the first vector and try to replace it with 2 or more vectors from the rest of the N vectors, using the same technique, until you have M vectors. To sumarize: split the big vectors into smaller ones until you reach the correct number of vectors.
Here's a proof of concept with numbers, in Python:
import random
def distance(x, y):
return abs(x-y)
def show(ls):
if len(ls) < 10:
return str(ls)
else:
return ", ".join(map(str, ls[:5]+("...",)+ls[-5:]))
def find(is_xs, target):
# see https://en.wikipedia.org/wiki/Subset_sum_problem#Pseudo-polynomial_time_dynamic_programming_solution
S = [(0, ())] # we store indices along with values to get the path
for i, x in is_xs:
T = [(x + t, js + (i,)) for t, js in S]
U = sorted(S + T)
y, ks = U[0]
S = [(y, ks)]
for z, ls in U:
if z == target: # use the euclidean distance here if you want an approximation
return ls
if z != y and z < target:
y, ks = z, ls
S.append((z, ls))
ls = S[-1][1] # take the closest element to target
return ls
N = 2000
M = 500
target = 1000
xs = [random.randint(0, 10) for _ in range(N)]
print ("Take {} numbers out of {} to make a sum of {}", M, xs, target)
xs = sorted(xs, reverse = True)
is_xs = list(enumerate(xs))
print ("Sorted numbers: {}".format(show(tuple(is_xs))))
ls = find(is_xs, target)
print("FIRST TRY: {} elements ({}) -> {}".format(len(ls), show(ls), sum(x for i, x in is_xs if i in ls)))
splits = 0
while len(ls) < M:
first_x = xs[ls[0]]
js_ys = [(i, x) for i, x in is_xs if i not in ls and x != first_x]
replace = find(js_ys, first_x)
splits += 1
if len(replace) < 2 or len(replace) + len(ls) - 1 > M or sum(xs[i] for i in replace) != first_x:
print("Give up: can't replace {}.\nAdd the lowest elements.")
ls += tuple([i for i, x in is_xs if i not in ls][len(ls)-M:])
break
print ("Replace {} (={}) by {} (={})".format(ls[:1], first_x, replace, sum(xs[i] for i in replace)))
ls = tuple(sorted(ls[1:] + replace)) # use a heap?
print("{} elements ({}) -> {}".format(len(ls), show(ls), sum(x for i, x in is_xs if i in ls)))
print("AFTER {} splits, {} -> {}".format(splits, ls, sum(x for i, x in is_xs if i in ls)))
The result is obviously not guaranteed to be optimal.
Remarks:
Complexity: find has a polynomial time complexity (see the Wikipedia page) and is called at most M^2 times, hence the complexity remains polynomial. In practice, the process is reasonably fast (split calls have a small target).
Vectors: to ensure that you reach the target with the minimum of elements, you can improve the order of element. Your target is (t_1, ..., t_c): if you sort the t_js from max to min, you get the more importants columns first. You can sort the vectors: by number of 1s and then by the presence of a 1 in the most important columns. E.g. target = 4 8 6 => 1 1 1 > 0 1 1 > 1 1 0 > 1 0 1 > 0 1 0 > 0 0 1 > 1 0 0 > 0 0 0.
find (Vectors) if the current sum exceed the target in all the columns, then you're not connecting to the target (any vector you add to the current sum will bring you farther from the target): don't add the sum to S (z >= target case for numbers).

Answer 6

I propose a simple ad hoc algorithm, which, broadly speaking, is a kind of gradient descent algorithm. It seems to work relatively well for input vectors which have a distribution of 1s “similar” to the target sum vector, and probably also for all “nice” input vectors, as defined in a comment of yours. The solution is not exact, but the approximation seems good.
The distance between the sum vector of the output vectors and the target vector is taken to be Euclidean. To minimize it means minimizing the sum of the square differences off sum vector and target vector (the square root is not needed because it is monotonic). The algorithm does not guarantee to yield the sample that minimizes the distance from the target, but anyway makes a serious attempt at doing so, by always moving in some locally optimal direction.
The algorithm can be split into 3 parts.
First of all the first M candidate output vectors out of the N input vectors (e.g., N=2000, M=500) are put in a list, and the remaining vectors are put in another.
Then "approximately optimal" swaps between vectors in the two lists are done, until either the distance would not decrease any more, or a predefined maximum number of iterations is reached. An approximately optimal swap is one where removing the first vector from the list of output vectors causes a maximal decrease or minimal increase of the distance, and then, after the removal of the first vector, adding the second vector to the same list causes a maximal decrease of the distance. The whole swap is avoided if the net result is not a decrease of the distance.
Then, as a last phase, "optimal" swaps are done, again stopping on no decrease in distance or maximum number of iterations reached. Optimal swaps cause a maximal decrease of the distance, without requiring the removal of the first vector to be optimal in itself. To find an optimal swap all vector pairs have to be checked. This phase is much more expensive, being O(M(N-M)), while the previous "approximate" phase is O(M+(N-M))=O(N). Luckily, when entering this phase, most of the work has already been done by the previous phase.
from typing import List, Tuple
def get_sample(vects: List[Tuple[int]], target: Tuple[int], n_out: int,
max_approx_swaps: int = None, max_optimal_swaps: int = None,
verbose: bool = False) -> List[Tuple[int]]:
"""
Get a sample of the input vectors having a sum close to the target vector.
Closeness is measured in Euclidean metrics. The output is not guaranteed to be
optimal (minimum square distance from target), but a serious attempt is made.
The max_* parameters can be used to avoid too long execution times,
tune them to your needs by setting verbose to True, or leave them None (∞).
:param vects: the list of vectors (tuples) with the same number of "columns"
:param target: the target vector, with the same number of "columns"
:param n_out: the requested sample size
:param max_approx_swaps: the max number of approximately optimal vector swaps,
None means unlimited (default: None)
:param max_optimal_swaps: the max number of optimal vector swaps,
None means unlimited (default: None)
:param verbose: print some info if True (default: False)
:return: the sample of n_out vectors having a sum close to the target vector
"""
def square_distance(v1, v2):
return sum((e1 - e2) ** 2 for e1, e2 in zip(v1, v2))
n_vec = len(vects)
assert n_vec > 0
assert n_out > 0
n_rem = n_vec - n_out
assert n_rem > 0
output = vects[:n_out]
remain = vects[n_out:]
n_col = len(vects[0])
assert n_col == len(target) > 0
sumvect = (0,) * n_col
for outvect in output:
sumvect = tuple(map(int.__add__, sumvect, outvect))
sqdist = square_distance(sumvect, target)
if verbose:
print(f"sqdist = {sqdist:4} after"
f" picking the first {n_out} vectors out of {n_vec}")
if max_approx_swaps is None:
max_approx_swaps = sqdist
n_approx_swaps = 0
while sqdist and n_approx_swaps < max_approx_swaps:
# find the best vect to subtract (the square distance MAY increase)
sqdist_0 = None
index_0 = None
sumvect_0 = None
for index in range(n_out):
tmp_sumvect = tuple(map(int.__sub__, sumvect, output[index]))
tmp_sqdist = square_distance(tmp_sumvect, target)
if sqdist_0 is None or sqdist_0 > tmp_sqdist:
sqdist_0 = tmp_sqdist
index_0 = index
sumvect_0 = tmp_sumvect
# find the best vect to add,
# but only if there is a net decrease of the square distance
sqdist_1 = sqdist
index_1 = None
sumvect_1 = None
for index in range(n_rem):
tmp_sumvect = tuple(map(int.__add__, sumvect_0, remain[index]))
tmp_sqdist = square_distance(tmp_sumvect, target)
if sqdist_1 > tmp_sqdist:
sqdist_1 = tmp_sqdist
index_1 = index
sumvect_1 = tmp_sumvect
if sumvect_1:
tmp = output[index_0]
output[index_0] = remain[index_1]
remain[index_1] = tmp
sqdist = sqdist_1
sumvect = sumvect_1
n_approx_swaps += 1
else:
break
if verbose:
print(f"sqdist = {sqdist:4} after {n_approx_swaps}"
f" approximately optimal swap{'s'[n_approx_swaps == 1:]}")
diffvect = tuple(map(int.__sub__, sumvect, target))
if max_optimal_swaps is None:
max_optimal_swaps = sqdist
n_optimal_swaps = 0
while sqdist and n_optimal_swaps < max_optimal_swaps:
# find the best pair to swap,
# but only if the square distance decreases
best_sqdist = sqdist
best_diffvect = diffvect
best_pair = None
for i0 in range(M):
tmp_diffvect = tuple(map(int.__sub__, diffvect, output[i0]))
for i1 in range(n_rem):
new_diffvect = tuple(map(int.__add__, tmp_diffvect, remain[i1]))
new_sqdist = sum(d * d for d in new_diffvect)
if best_sqdist > new_sqdist:
best_sqdist = new_sqdist
best_diffvect = new_diffvect
best_pair = (i0, i1)
if best_pair:
tmp = output[best_pair[0]]
output[best_pair[0]] = remain[best_pair[1]]
remain[best_pair[1]] = tmp
sqdist = best_sqdist
diffvect = best_diffvect
n_optimal_swaps += 1
else:
break
if verbose:
print(f"sqdist = {sqdist:4} after {n_optimal_swaps}"
f" optimal swap{'s'[n_optimal_swaps == 1:]}")
return output
from random import randrange
C = 30 # number of columns
N = 2000 # total number of vectors
M = 500 # number of output vectors
F = 0.9 # fill factor of the target sum vector
T = int(M * F) # maximum value + 1 that can be appear in the target sum vector
A = 10000 # maximum number of approximately optimal swaps, may be None (∞)
B = 10 # maximum number of optimal swaps, may be None (unlimited)
target = tuple(randrange(T) for _ in range(C))
vects = [tuple(int(randrange(M) < t) for t in target) for _ in range(N)]
sample = get_sample(vects, target, M, A, B, True)
Typical output:
sqdist = 2639 after picking the first 500 vectors out of 2000
sqdist = 9 after 27 approximately optimal swaps
sqdist = 1 after 4 optimal swaps
P.S.: As it stands, this algorithm is not limited to binary input vectors, integer vectors would work too. Intuitively I suspect that the quality of the optimization could suffer, though. I suspect that this algorithm is more appropriate for binary vectors.
P.P.S.: Execution times with your kind of data are probably acceptable with standard CPython, but get better (like a couple of seconds, almost a factor of 10) with PyPy. To handle bigger sets of data, the algorithm would have to be translated to C or some other language, which should not be difficult at all.