--- title: "Distances" output: rmarkdown::html_vignette vignette: > %\VignetteIndexEntry{Distances} %\VignetteEngine{knitr::rmarkdown} \usepackage[utf8]{inputenc} --- ## How to use `distance()` The `distance()` function implemented in `philentropy` is able to compute 46 different distances/similarities between probability density functions (see `?philentropy::distance` for details). ### Simple Example The `distance()` function is implemented using the same _logic_ as R's base function `stats::dist()` and takes a `matrix` or `data.frame` object as input. The corresponding `matrix` or `data.frame` should store probability density functions (as rows) for which distance computations should be performed. ```r # define a probability density function P P <- 1:10/sum(1:10) # define a probability density function Q Q <- 20:29/sum(20:29) # combine P and Q as matrix object x <- rbind(P,Q) ``` Please note that when defining a `matrix` from vectors, probability vectors should be combined as rows (`rbind()`). ```r library(philentropy) # compute the Euclidean Distance with default parameters distance(x, method = "euclidean") ``` ``` euclidean 0.1280713 ``` For this simple case you can compare the results with R's base function to compute the euclidean distance `stats::dist()`. ```r # compute the Euclidean Distance using R's base function stats::dist(x, method = "euclidean") ``` ``` P Q 0.1280713 ``` However, the R base function `stats::dist()` only computes the following distance measures: `"euclidean", "maximum", "manhattan", "canberra", "binary" or "minkowski"`, whereas `distance()` allows you to choose from 46 distance/similarity measures and when selecting the native distance functions underlying `distance()` users can speed up their computations 3-5x. To find out which `method`s are implemented in `distance()` you can consult the `getDistMethods()` function. ```r # names of implemented distance/similarity functions getDistMethods() ``` ``` [1] "euclidean" "manhattan" "minkowski" "chebyshev" [5] "sorensen" "gower" "soergel" "kulczynski_d" [9] "canberra" "lorentzian" "intersection" "non-intersection" [13] "wavehedges" "czekanowski" "motyka" "kulczynski_s" [17] "tanimoto" "ruzicka" "inner_product" "harmonic_mean" [21] "cosine" "hassebrook" "jaccard" "dice" [25] "fidelity" "bhattacharyya" "hellinger" "matusita" [29] "squared_chord" "squared_euclidean" "pearson" "neyman" [33] "squared_chi" "prob_symm" "divergence" "clark" [37] "additive_symm" "kullback-leibler" "jeffreys" "k_divergence" [41] "topsoe" "jensen-shannon" "jensen_difference" "taneja" [45] "kumar-johnson" "avg" ``` Now you can choose any distance/similarity `method` that serves you. ```r # compute the Jaccard Distance with default parameters distance(x, method = "jaccard") ``` ``` jaccard 0.133869 ``` Analogously, in case a probability matrix is specified the following output is generated. ```r # combine three probabilty vectors to a probabilty matrix ProbMatrix <- rbind(1:10/sum(1:10), 20:29/sum(20:29),30:39/sum(30:39)) rownames(ProbMatrix) <- paste0("Example", 1:3) # compute the euclidean distance between all # pairwise comparisons of probability vectors distance(ProbMatrix, method = "euclidean") ``` ``` #> Metric: 'euclidean'; comparing: 3 vectors. v1 v2 v3 v1 0.0000000 0.12807130 0.13881717 v2 0.1280713 0.00000000 0.01074588 v3 0.1388172 0.01074588 0.00000000 ``` Alternatively, users can specify the argument `use.row.names = TRUE` to maintain the rownames of the input matrix and pass them as rownames and colnames to the output distance matrix. ```r # compute the euclidean distance between all # pairwise comparisons of probability vectors distance(ProbMatrix, method = "euclidean", use.row.names = TRUE) ``` ``` #> Metric: 'euclidean'; comparing: 3 vectors. Example1 Example2 Example3 Example1 0.0000000 0.12807130 0.13881717 Example2 0.1280713 0.00000000 0.01074588 Example3 0.1388172 0.01074588 0.00000000 ``` This output differs from the output of `stats::dist()`. ```r # compute the euclidean distance between all # pairwise comparisons of probability vectors # using stats::dist() stats::dist(ProbMatrix, method = "euclidean") ``` ``` 1 2 2 0.12807130 3 0.13881717 0.01074588 ``` Whereas `distance()` returns a symmetric distance matrix, `stats::dist()` returns only one part of the symmetric matrix. However, users can also specify the argument `as.dist.obj = TRUE` in `philentropy::distance()` to retrieve a `philentropy::distance()` output which is an object of type `stats::dist()`. ```r ProbMatrix <- rbind(1:10/sum(1:10), 20:29/sum(20:29),30:39/sum(30:39)) rownames(ProbMatrix) <- paste0("test", 1:3) distance(ProbMatrix, method = "euclidean", use.row.names = TRUE, as.dist.obj = TRUE) ``` ``` Metric: 'euclidean'; comparing: 3 vectors. test1 test2 test2 0.12807130 test3 0.13881717 0.01074588 ``` Now let's compare the run times of base R and `philentropy`. For this purpose you need to install the `microbenchmark` package. > Note: Please make sure to insert vector objects (in our example P, Q) when directly running the low-level functions such as `euclidean()` etc. Otherwise, computational overheads are produced that [significantly slow down computations when using large vectors](https://github.com/drostlab/philentropy/issues/30). ```r # install.packages("microbenchmark") library(microbenchmark) microbenchmark( distance(x,method = "euclidean", test.na = FALSE), dist(x,method = "euclidean"), euclidean(P, Q, FALSE) ) ``` ``` Unit: microseconds expr min lq mean median uq max neval distance(x, method = "euclidean", test.na = FALSE) 26.518 28.3495 29.73174 29.2210 30.1025 62.096 100 dist(x, method = "euclidean") 11.073 12.9375 14.65223 14.3340 15.1710 65.130 100 euclidean(P, Q, FALSE) 4.329 4.9605 5.72378 5.4815 6.1240 22.510 100 ``` As you can see, although the `distance()` function is quite fast, the internal checks cause it to be 2x slower than the base `dist()` function (for the `euclidean` example). Nevertheless, in case you need to implement a faster version of the corresponding distance measure you can type `philentropy::` and then `TAB` allowing you to select the base distance computation functions (written in C++), e.g. `philentropy::euclidean()` which is almost 3x faster than the base `dist()` function. The advantage of `distance()` is that it implements 46 distance measures based on base C++ functions that can be accessed individually by typing `philentropy::` and then `TAB`. In future versions of `philentropy` I will optimize the `distance()` function so that internal checks for data type correctness and correct input data will take less termination time than the base `dist()` function.