All-to-all setdiff on two numeric vectors with a numeric threshold for accepting matches

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被撕碎了的回忆 2020-12-20 23:49

What I want to do is more or less a combination of the problems discussed in the two following threads:

  • Perform non-pairwise all-to-all comparisons between two
3条回答
  •  旧巷少年郎
    2020-12-21 00:18

    A vectorized beast:

    D <- abs(outer(b_1, b_2, "-")) > 0.045
    
    in_b1_not_in_b2 <- b_1[rowSums(D) == length(b_2)]
    #[1] 1002.570  301.569
    
    in_b2_not_in_b1 <- b_2[colSums(D) == length(b_1)]
    #[1]   22.12   53.00 5666.31  100.10
    

    hours later...

    Henrik shared a question complaining the memory explosion when using outer for long vectors: Matching two very very large vectors with tolerance (fast! but working space sparing). However, the memory bottleneck for outer can be easily killed by blocking.

    f <- function (b1, b2, threshold, chunk.size = 5000) {
    
      n1 <- length(b1)
      n2 <- length(b2)
      chunk.size <- min(chunk.size, n1, n2)
    
      RS <- numeric(n1)  ## rowSums, to be accumulated
      CS <- numeric(n2)  ## colSums, to be accumulated
    
      j <- 0
      while (j < n2) {
        chunk.size_j <- min(chunk.size, n2 - j)
        ind_j <- (j + 1):(j + chunk.size_j)
        b2_j <- b2[ind_j]
        i <- 0
        while (i < n1) {
          chunk.size_i <- min(chunk.size, n1 - i)
          ind_i <- (i + 1):(i + chunk.size_i)
          M <- abs(outer(b1[ind_i], b2_j, "-")) > threshold
          RS[ind_i] <- RS[ind_i] + rowSums(M)
          CS[ind_j] <- CS[ind_j] + colSums(M)
          i <- i + chunk.size_i
          }
        j <- j + chunk.size_j
        }
    
      list(in_b1_not_in_b2 = b1[RS == n2], in_b2_not_in_b1 = b2[CS == n1])
      }
    

    With this function, outer never uses more memory than storing two chunk.size x chunk.size matrices. Now let's do something crazy.

    b1 <- runif(1e+5, 0, 10000)
    b2 <- b1 + runif(1e+5, -1, 1)
    

    If we do a simple outer, we need memory to store two 1e+5 x 1e+5 matrices, which is up to 149 GB. However, on my Sandy Bridge (2011) laptop with only 4 GB RAM, computation is feasible.

    system.time(oo <- f(b1, b2, 0.045, 5000))
    #   user  system elapsed 
    #365.800 167.348 533.912 
    

    The performance is actually good enough, given that we have been using a very poor algorithm.

    All answers here do exhausted search, that has complexity length(b1) x length(b2). We could reduce this to length(b1) + length(b2) if we work on sorted arrays. But such deeply optimized algorithm can only be implemented with compiled language to obtain efficiency.

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