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Patch fix for cholesky in TF2 #604

Open njtierney opened 6 months ago

njtierney commented 6 months ago

We currently have a bug where when the cholesky is defining itself in sampling mode, and when it is a representation of something.

At the moment in order to deal with / delay the bugs in #593, #594, and #585, we can set this up to error early, rather than its current behaviour, which is to return a matrix of 1s.

This is a stopgap solution so that we can get TF2 greta onto CRAN

njtierney commented 2 months ago

Currently the plan is to have the following code inside the definition of an operation node. Essentially this will send off a warning when something uses a cholesky representation and we are doing sampling on it

    tf = function(dag) {
      # where to put it
      tfe <- dag$tf_environment
      # what to call the tensor object
      tf_name <- dag$tf_name(self)
      mode <- dag$how_to_define(self)

      # if sampling get the distribution constructor and sample this
      if (mode == "sampling") {
        tensor <- dag$draw_sample(self$distribution)
        if (has_representation(self, "cholesky")) {
          ## TF1/2
          ## This approach currently fails because of how we use representations
          ## within greta.
          # We will now error here since when sampling from a cholesky
          # represented variable, we don't really get consistent results
          cli::cli_warn(
            ## Could note that there are false positives?
            message = c(
              "We currently cannot use {.fun calculate} to sample a greta \\
              array with a cholesky factor, due to an internal issue with how \\
              greta handles cholesky representations.",
              "See issue here on github for more details:",
              "{.url https://github.com/greta-dev/greta/issues/593}"
            )
          )
          cholesky_tensor <- tf_chol(tensor)
          cholesky_tf_name <- dag$tf_name(self$representation$cholesky)
          assign(cholesky_tf_name, cholesky_tensor, envir = dag$tf_environment)

          # tf_name <- cholesky_tf_name
          # tensor <- cholesky_tensor
        }
      }

So we get the following behaviour:

library(greta)
#> 
#> Attaching package: 'greta'
#> The following objects are masked from 'package:stats':
#> 
#>     binomial, cov2cor, poisson
#> The following objects are masked from 'package:base':
#> 
#>     %*%, apply, backsolve, beta, chol2inv, colMeans, colSums, diag,
#>     eigen, forwardsolve, gamma, identity, rowMeans, rowSums, sweep,
#>     tapply

# succeeds
sig <- lkj_correlation(2, dim = 2)
#> ℹ Initialising python and checking dependencies, this may take a moment.
#> ✔ Initialising python and checking dependencies ... done!
#> 
w <- wishart(5, sig)
m <- model(w)
draws <- mcmc(m, warmup = 0, n_samples = 5, verbose = FALSE)
draws
#> $`11`
#> Markov Chain Monte Carlo (MCMC) output:
#> Start = 1 
#> End = 5 
#> Thinning interval = 1 
#>       w[1,1]      w[2,1]      w[1,2]    w[2,2]
#> 1 0.06064959 -0.08968761 -0.08968761 0.2080036
#> 2 0.18153273 -0.16358580 -0.16358580 0.5022380
#> 3 0.11352640 -0.18384974 -0.18384974 0.5941550
#> 4 0.85345937 -0.98212422 -0.98212422 1.1355574
#> 5 0.77398713 -0.53847586 -0.53847586 0.5097147
#> 
#> $`12`
#> Markov Chain Monte Carlo (MCMC) output:
#> Start = 1 
#> End = 5 
#> Thinning interval = 1 
#>         w[1,1]      w[2,1]      w[1,2]      w[2,2]
#> 1 0.0007307899 0.001818318 0.001818318 0.004525567
#> 2 0.0007307899 0.001818318 0.001818318 0.004525567
#> 3 0.0007307899 0.001818318 0.001818318 0.004525567
#> 4 0.0007307899 0.001818318 0.001818318 0.004525567
#> 5 0.0007307899 0.001818318 0.001818318 0.004525567
#> 
#> $`13`
#> Markov Chain Monte Carlo (MCMC) output:
#> Start = 1 
#> End = 5 
#> Thinning interval = 1 
#>       w[1,1]      w[2,1]      w[1,2]    w[2,2]
#> 1 0.14602971 -0.13032268 -0.13032268 0.3595358
#> 2 0.08595726 -0.06137547 -0.06137547 0.8014967
#> 3 0.30209596 -0.02779237 -0.02779237 0.7412944
#> 4 0.02448499 -0.04408638 -0.04408638 0.8345146
#> 5 0.12286190  0.05137151  0.05137151 1.4068696
#> 
#> $`14`
#> Markov Chain Monte Carlo (MCMC) output:
#> Start = 1 
#> End = 5 
#> Thinning interval = 1 
#>      w[1,1]      w[2,1]      w[1,2]    w[2,2]
#> 1 0.1987510 -0.03785009 -0.03785009 0.1985830
#> 2 0.1984730 -0.03523137 -0.03523137 0.2151315
#> 3 0.7619678 -0.42175497 -0.42175497 0.2995763
#> 4 0.8598383 -0.57636239 -0.57636239 0.5204147
#> 5 1.4662869 -0.60184908 -0.60184908 0.9378646
#> 
#> attr(,"class")
#> [1] "greta_mcmc_list" "mcmc.list"      
#> attr(,"model_info")
#> attr(,"model_info")$raw_draws
#> $`11`
#> Markov Chain Monte Carlo (MCMC) output:
#> Start = 1 
#> End = 5 
#> Thinning interval = 1 
#>           1         2          3          4
#> 1 0.4324554 0.2462714 -0.3641820 0.27454514
#> 2 0.5676601 0.4260666 -0.3839442 0.59567174
#> 3 0.7014721 0.3369368 -0.5456505 0.54444511
#> 4 1.1698393 0.9238286 -1.0631022 0.07328834
#> 5 1.0902837 0.8797654 -0.6120676 0.36754319
#> 
#> $`12`
#> Markov Chain Monte Carlo (MCMC) output:
#> Start = 1 
#> End = 5 
#> Thinning interval = 1 
#>             1          2          3           4
#> 1 -0.03417148 0.02703313 0.06726259 0.001144732
#> 2 -0.03417148 0.02703313 0.06726259 0.001144732
#> 3 -0.03417148 0.02703313 0.06726259 0.001144732
#> 4 -0.03417148 0.02703313 0.06726259 0.001144732
#> 5 -0.03417148 0.02703313 0.06726259 0.001144732
#> 
#> $`13`
#> Markov Chain Monte Carlo (MCMC) output:
#> Start = 1 
#> End = 5 
#> Thinning interval = 1 
#>           1         2           3         4
#> 1 0.1643967 0.3821383 -0.34103534 0.4931842
#> 2 0.2189142 0.2931847 -0.20934064 0.8704443
#> 3 0.6258184 0.5496326 -0.05056536 0.8594984
#> 4 0.6418233 0.1564768 -0.28174385 0.8689851
#> 5 1.0310803 0.3505166  0.14655942 1.1770259
#> 
#> $`14`
#> Markov Chain Monte Carlo (MCMC) output:
#> Start = 1 
#> End = 5 
#> Thinning interval = 1 
#>             1         2           3         4
#> 1 -0.19703020 0.4458150 -0.08490090 0.4374641
#> 2  0.17551313 0.4455031 -0.07908221 0.4570312
#> 3  0.32429059 0.8729076 -0.48316104 0.2571609
#> 4  0.13162990 0.9272746 -0.62156600 0.3661563
#> 5 -0.02499826 1.2109033 -0.49702488 0.8311624
#> 
#> attr(,"class")
#> [1] "mcmc.list"
#> 
#> attr(,"model_info")$samplers
#> attr(,"model_info")$samplers$`1`
#> Error in vapply(x, format, "", big.mark = big.mark, big.interval = big.interval, : values must be length 1,
#>  but FUN(X[[4]]) result is length 4

# fails
x <- wishart(df = 4, Sigma = diag(3))
chol_x <- chol(x)
calc_chol <- calculate(x, chol_x, nsim = 1)
#> Warning: We currently cannot use `calculate()` to sample a greta array with a cholesky
#> factor, due to an internal issue with how greta handles cholesky
#> representations.
#> See issue here on github for more details:
#> <https://github.com/greta-dev/greta/issues/593>
calc_chol
#> $x
#> , , 1
#> 
#>          [,1]     [,2]      [,3]
#> [1,] 12.53445 3.035458 -2.170019
#> 
#> , , 2
#> 
#>          [,1]     [,2]        [,3]
#> [1,] 3.035458 4.972589 -0.09387038
#> 
#> , , 3
#> 
#>           [,1]        [,2]     [,3]
#> [1,] -2.170019 -0.09387038 1.807308
#> 
#> 
#> $chol_x
#> , , 1
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1
#> 
#> , , 2
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1
#> 
#> , , 3
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1

Created on 2024-05-07 with reprex v2.1.0

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njtierney commented 2 months ago

Here's an attempted solution at this problem, in commit: https://github.com/greta-dev/greta/pull/534/commits/917f936427205758f1756d66fc38310ea7edadd8

This adds a special flag "golden_cholesky" when chol is used, so we can identify those arrays and warn for them.

Unfortunately it seems using chol(x) propagates the cholesky flag I created.

Here's a reprex of the approach:

library(greta)
#> 
#> Attaching package: 'greta'
#> The following objects are masked from 'package:stats':
#> 
#>     binomial, cov2cor, poisson
#> The following objects are masked from 'package:base':
#> 
#>     %*%, apply, backsolve, beta, chol2inv, colMeans, colSums, diag,
#>     eigen, forwardsolve, gamma, identity, rowMeans, rowSums, sweep,
#>     tapply

x <- wishart(df = 4, Sigma = diag(3))
#> ℹ Initialising python and checking dependencies, this may take a moment.
#> ✔ Initialising python and checking dependencies ... done!
#> 
x
#> greta array (operation following a wishart distribution)
#> 
#>      [,1] [,2] [,3]
#> [1,]  ?    ?    ?  
#> [2,]  ?    ?    ?  
#> [3,]  ?    ?    ?

Don’t warn here, this should be fine

pre_mcmc <- calculate(x, nsim = 1)
pre_mcmc
#> $x
#> , , 1
#> 
#>          [,1]      [,2]     [,3]
#> [1,] 5.055917 0.6333886 3.368602
#> 
#> , , 2
#> 
#>           [,1]     [,2]      [,3]
#> [1,] 0.6333886 1.445194 0.9147159
#> 
#> , , 3
#> 
#>          [,1]      [,2]     [,3]
#> [1,] 3.368602 0.9147159 4.388693

This should warn

chol_x <- chol(x)
calculate(chol_x, nsim = 1)
#> Warning: Cannot use `calculate()` to sample a cholesky factor of a greta array
#> E.g., `x_chol <- chol(wishart(df = 4, Sigma = diag(3)))`
#> `calculate(x_chol)`
#> This is due to an internal issue with how greta handles cholesky
#> representations.
#> See issue here on github for more details:
#> <https://github.com/greta-dev/greta/issues/593>
#> $chol_x
#> , , 1
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1
#> 
#> , , 2
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1
#> 
#> , , 3
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1

But then this will warn (because chol was called on x?)

calculate(x, nsim = 1)
#> Warning: Cannot use `calculate()` to sample a cholesky factor of a greta array
#> E.g., `x_chol <- chol(wishart(df = 4, Sigma = diag(3)))`
#> `calculate(x_chol)`
#> This is due to an internal issue with how greta handles cholesky
#> representations.
#> See issue here on github for more details:
#> <https://github.com/greta-dev/greta/issues/593>
#> $x
#> , , 1
#> 
#>          [,1]       [,2]      [,3]
#> [1,] 5.687854 -0.3524896 -1.104498
#> 
#> , , 2
#> 
#>            [,1]     [,2]   [,3]
#> [1,] -0.3524896 1.861157 -1.468
#> 
#> , , 3
#> 
#>           [,1]   [,2]     [,3]
#> [1,] -1.104498 -1.468 2.467221

We initially thought that chol_x + 1 would trigger chol_x to give the right result - alas.

chol_x_p1 <- chol_x + 1
calculate(x, chol_x, chol_x_p1, nsim = 1)
#> Warning: Cannot use `calculate()` to sample a cholesky factor of a greta array
#> E.g., `x_chol <- chol(wishart(df = 4, Sigma = diag(3)))`
#> `calculate(x_chol)`
#> This is due to an internal issue with how greta handles cholesky
#> representations.
#> See issue here on github for more details:
#> <https://github.com/greta-dev/greta/issues/593>
#> $x
#> , , 1
#> 
#>          [,1]     [,2]      [,3]
#> [1,] 1.883891 2.321163 0.5246651
#> 
#> , , 2
#> 
#>          [,1]     [,2]      [,3]
#> [1,] 2.321163 4.046714 0.5877278
#> 
#> , , 3
#> 
#>           [,1]      [,2]      [,3]
#> [1,] 0.5246651 0.5877278 0.6911986
#> 
#> 
#> $chol_x
#> , , 1
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1
#> 
#> , , 2
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1
#> 
#> , , 3
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1
#> 
#> 
#> $chol_x_p1
#> , , 1
#> 
#>      [,1] [,2] [,3]
#> [1,]    2    2    2
#> 
#> , , 2
#> 
#>      [,1] [,2] [,3]
#> [1,]    2    2    2
#> 
#> , , 3
#> 
#>      [,1] [,2] [,3]
#> [1,]    2    2    2

Ideally this should error, specifically calling out chol_x, not x.

calculate(x, chol_x, nsim = 1)
#> Warning: Cannot use `calculate()` to sample a cholesky factor of a greta array
#> E.g., `x_chol <- chol(wishart(df = 4, Sigma = diag(3)))`
#> `calculate(x_chol)`
#> This is due to an internal issue with how greta handles cholesky
#> representations.
#> See issue here on github for more details:
#> <https://github.com/greta-dev/greta/issues/593>
#> $x
#> , , 1
#> 
#>          [,1]     [,2]      [,3]
#> [1,] 11.52874 1.026355 -1.737126
#> 
#> , , 2
#> 
#>          [,1]    [,2]      [,3]
#> [1,] 1.026355 1.71024 0.5303688
#> 
#> , , 3
#> 
#>           [,1]      [,2]     [,3]
#> [1,] -1.737126 0.5303688 1.886979
#> 
#> 
#> $chol_x
#> , , 1
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1
#> 
#> , , 2
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1
#> 
#> , , 3
#> 
#>      [,1] [,2] [,3]
#> [1,]    1    1    1

It is is hard to do, I’m currently not sure how I can specifically call out chol_x and not x. This gist does a comparison of x and chol_x: https://gist.github.com/njtierney/6b8a5d6a8380f61570c6fffcf6a530b5 In addition, there are still issues with MCMC

m <- model(x)
draws <- mcmc(m, warmup = 1, n_samples = 1)
#> running 4 chains simultaneously on up to 8 CPU cores
#> 
#> warmup 0/1 | eta: ?s sampling 0/1 | eta: ?s

now the matrix which should be symmetric looks like a cholesky factor (but lower triangular, when it should be upper triangular), and cholesky factor is still coming out as ones

post_mcmc <- calculate(x, nsim = 1)
#> Warning: Cannot use `calculate()` to sample a cholesky factor of a greta array
#> E.g., `x_chol <- chol(wishart(df = 4, Sigma = diag(3)))`
#> `calculate(x_chol)`
#> This is due to an internal issue with how greta handles cholesky
#> representations.
#> See issue here on github for more details:
#> <https://github.com/greta-dev/greta/issues/593>
post_mcmc
#> $x
#> , , 1
#> 
#>          [,1] [,2] [,3]
#> [1,] 1.048605    0    0
#> 
#> , , 2
#> 
#>          [,1]     [,2] [,3]
#> [1,] 1.126161 2.339339    0
#> 
#> , , 3
#> 
#>           [,1]     [,2]     [,3]
#> [1,] 0.5542009 1.327417 2.427972

Created on 2024-05-10 with reprex v2.1.0

Session info ``` r sessioninfo::session_info() #> ─ Session info ─────────────────────────────────────────────────────────────── #> setting value #> version R version 4.3.3 (2024-02-29) #> os macOS Sonoma 14.3.1 #> system aarch64, darwin20 #> ui X11 #> language (EN) #> collate en_US.UTF-8 #> ctype en_US.UTF-8 #> tz Australia/Brisbane #> date 2024-05-10 #> pandoc 3.1.13 @ /opt/homebrew/bin/ (via rmarkdown) #> #> ─ Packages ─────────────────────────────────────────────────────────────────── #> package * version date (UTC) lib source #> abind 1.4-5 2016-07-21 [1] CRAN (R 4.3.0) #> backports 1.4.1 2021-12-13 [1] CRAN (R 4.3.0) #> base64enc 0.1-3 2015-07-28 [1] CRAN (R 4.3.0) #> callr 3.7.6 2024-03-25 [1] CRAN (R 4.3.1) #> cli 3.6.2 2023-12-11 [1] CRAN (R 4.3.1) #> coda 0.19-4.1 2024-01-31 [2] CRAN (R 4.3.1) #> codetools 0.2-20 2024-03-31 [2] CRAN (R 4.3.1) #> crayon 1.5.2 2022-09-29 [1] CRAN (R 4.3.0) #> digest 0.6.35 2024-03-11 [1] CRAN (R 4.3.1) #> evaluate 0.23 2023-11-01 [1] CRAN (R 4.3.1) #> fastmap 1.1.1 2023-02-24 [1] CRAN (R 4.3.0) #> fs 1.6.3 2023-07-20 [1] CRAN (R 4.3.0) #> future 1.33.2 2024-03-26 [1] CRAN (R 4.3.1) #> globals 0.16.3 2024-03-08 [1] CRAN (R 4.3.1) #> glue 1.7.0 2024-01-09 [1] CRAN (R 4.3.1) #> greta * 0.4.5.9000 2024-05-10 [1] local #> hms 1.1.3 2023-03-21 [1] CRAN (R 4.3.0) #> htmltools 0.5.8.1 2024-04-04 [1] CRAN (R 4.3.1) #> jsonlite 1.8.8 2023-12-04 [1] CRAN (R 4.3.1) #> knitr 1.45 2023-10-30 [1] CRAN (R 4.3.1) #> lattice 0.22-6 2024-03-20 [1] CRAN (R 4.3.1) #> lifecycle 1.0.4 2023-11-07 [1] CRAN (R 4.3.1) #> listenv 0.9.1 2024-01-29 [2] CRAN (R 4.3.1) #> magrittr 2.0.3 2022-03-30 [1] CRAN (R 4.3.0) #> Matrix 1.6-5 2024-01-11 [1] CRAN (R 4.3.1) #> parallelly 1.37.1 2024-02-29 [1] CRAN (R 4.3.1) #> pkgconfig 2.0.3 2019-09-22 [1] CRAN (R 4.3.0) #> png 0.1-8 2022-11-29 [1] CRAN (R 4.3.0) #> prettyunits 1.2.0 2023-09-24 [1] CRAN (R 4.3.1) #> processx 3.8.4 2024-03-16 [1] CRAN (R 4.3.1) #> progress 1.2.3 2023-12-06 [1] CRAN (R 4.3.1) #> ps 1.7.6 2024-01-18 [1] CRAN (R 4.3.1) #> purrr 1.0.2 2023-08-10 [1] CRAN (R 4.3.0) #> R.cache 0.16.0 2022-07-21 [2] CRAN (R 4.3.0) #> R.methodsS3 1.8.2 2022-06-13 [2] CRAN (R 4.3.0) #> R.oo 1.26.0 2024-01-24 [2] CRAN (R 4.3.1) #> R.utils 2.12.3 2023-11-18 [2] CRAN (R 4.3.1) #> R6 2.5.1 2021-08-19 [1] CRAN (R 4.3.0) #> Rcpp 1.0.12 2024-01-09 [1] CRAN (R 4.3.1) #> reprex 2.1.0 2024-01-11 [2] CRAN (R 4.3.1) #> reticulate 1.36.1 2024-04-22 [1] CRAN (R 4.3.1) #> rlang 1.1.3 2024-01-10 [1] CRAN (R 4.3.1) #> rmarkdown 2.26 2024-03-05 [1] CRAN (R 4.3.1) #> rstudioapi 0.16.0 2024-03-24 [1] CRAN (R 4.3.1) #> sessioninfo 1.2.2 2021-12-06 [2] CRAN (R 4.3.0) #> styler 1.10.3 2024-04-07 [2] CRAN (R 4.3.1) #> tensorflow 2.16.0 2024-04-15 [2] CRAN (R 4.3.1) #> tfautograph 0.3.2 2021-09-17 [2] CRAN (R 4.3.0) #> tfruns 1.5.3 2024-04-19 [1] CRAN (R 4.3.1) #> vctrs 0.6.5 2023-12-01 [1] CRAN (R 4.3.1) #> whisker 0.4.1 2022-12-05 [1] CRAN (R 4.3.0) #> withr 3.0.0 2024-01-16 [1] CRAN (R 4.3.1) #> xfun 0.43 2024-03-25 [1] CRAN (R 4.3.1) #> yaml 2.3.8 2023-12-11 [1] CRAN (R 4.3.1) #> #> [1] /Users/nick/Library/R/arm64/4.3/library #> [2] /Library/Frameworks/R.framework/Versions/4.3-arm64/Resources/library #> #> ─ Python configuration ─────────────────────────────────────────────────────── #> python: /Users/nick/Library/r-miniconda-arm64/envs/greta-env-tf2/bin/python #> libpython: /Users/nick/Library/r-miniconda-arm64/envs/greta-env-tf2/lib/libpython3.11.dylib #> pythonhome: /Users/nick/Library/r-miniconda-arm64/envs/greta-env-tf2:/Users/nick/Library/r-miniconda-arm64/envs/greta-env-tf2 #> version: 3.11.9 | packaged by conda-forge | (main, Apr 19 2024, 18:34:54) [Clang 16.0.6 ] #> numpy: /Users/nick/Library/r-miniconda-arm64/envs/greta-env-tf2/lib/python3.11/site-packages/numpy #> numpy_version: 1.26.4 #> tensorflow: /Users/nick/Library/r-miniconda-arm64/envs/greta-env-tf2/lib/python3.11/site-packages/tensorflow #> #> NOTE: Python version was forced by use_python() function #> #> ────────────────────────────────────────────────────────────────────────────── ```