split_spec is designed as an interchange
format, not as internal plumbing for any one downstream package.
This vignette shows the full path: derive a constraint in R, serialize
it to JSON, read it in Python with the shipped splitspec
reference consumer, and hand the recovered grouping straight to a
scikit-learn resampler.
The Python chunks below are shown but not executed, so building the
vignette needs no Python. To keep the central claim honest rather than
asserted, the vignette does run the shipped Python reader
through R whenever a working Python 3 is on the PATH (see
“Verify the round-trip”), and shows that the grouping, ordering and
stratum it recovers match R’s exactly. Where no interpreter is found it
says so rather than quietly printing nothing.
library(splitGraph)
meta <- data.frame(
sample_id = c("S1", "S2", "S3", "S4", "S5"),
subject_id = c("P1", "P1", "P2", "P3", "P3"),
timepoint_id = c("T0", "T1", "T0", "T2", "T0"),
time_index = c(0, 1, 0, 2, 0),
outcome_id = c("case", "case", "ctrl", "ctrl", "ctrl"),
stringsAsFactors = FALSE
)
g <- graph_from_metadata(meta, graph_name = "handoff-demo")
# Group so that repeated measures of the same subject never straddle a split.
constraint <- derive_split_constraints(g, mode = "subject")
spec <- as_split_spec(constraint, graph = g)
path <- tempfile(fileext = ".json")
write_split_spec(spec, path)The written file carries a $schema reference and a
schema_version, and can be validated against the shipped
JSON Schema before it ever leaves R:
report <- validate_split_spec_json(path)
report$valid
#> [1] TRUE
# The R-side grouping we expect Python to reproduce:
grouping_vector(constraint)
#> S1 S2 S3 S4 S5
#> "subject:P1" "subject:P1" "subject:P2" "subject:P3" "subject:P3"
# The outcome travels with the spec as a stratum annotation, so a consumer can
# stratify without touching the graph. splitGraph never balances folds itself.
spec$stratum_var
#> [1] "stratum"
spec$sample_data$stratum
#> [1] "case" "case" "ctrl" "ctrl" "ctrl"Before leaving R it is worth looking at the artifact itself, because that file — not any R or Python object — is the contract. It is a single JSON object with a small, flat shape: scalar declarations at the top, then one row per sample.
on_disk <- jsonlite::fromJSON(path, simplifyVector = FALSE)
names(on_disk)
#> [1] "$schema" "splitGraph_object" "schema_version"
#> [4] "group_var" "block_vars" "time_var"
#> [7] "stratum_var" "ordering_required" "constraint_mode"
#> [10] "constraint_strategy" "recommended_resampling" "metadata"
#> [13] "sample_data"
# One sample row. Every declared role above names a column in here.
str(on_disk$sample_data[[1]])
#> List of 14
#> $ sample_id : chr "S1"
#> $ sample_node_id: chr "sample:S1"
#> $ group_id : chr "subject:P1"
#> $ primary_group : chr "subject:P1"
#> $ batch_group : NULL
#> $ study_group : NULL
#> $ site_group : NULL
#> $ region_group : NULL
#> $ platform_group: NULL
#> $ assay_group : NULL
#> $ stratum : chr "case"
#> $ timepoint_id : chr "T0"
#> $ time_index : int 0
#> $ order_rank : int 1The top-level fields say how to read the rows: group_var
names the grouping column, stratum_var the stratum,
time_var the ordering, block_vars the blocking
columns. A consumer keys on those names rather than hard-coding
group_id, which is what lets the same file drive tools that
have never heard of each other. Columns that do not apply to this cohort
are null, not absent, so the row shape is the same for
every sample.
The reference consumer lives in the installed package under
inst/python. On the R side its location is:
system.file("python", package = "splitGraph")
#> [1] "C:/Users/Selçuk/AppData/Local/Temp/RtmpMVPZzM/Rbuild59e43b94464/splitGraph/inst/python"That directory is a complete, installable package —
pip install it, or just put it on
sys.path:
pip install "<the inst/python path printed above>" # reader only
pip install "<the inst/python path printed above>[sklearn]" # + sklearn helpersThe reader itself imports nothing outside the standard library;
to_frame() pulls in pandas and the resampler helpers import
scikit-learn, both lazily, so a consumer that only needs the grouping
pays for neither. Then:
import sys
# sys.path.append(<the inst/python path printed above>)
from splitspec import load_split_spec
spec = load_split_spec("split_spec.json")
spec.schema_version # "0.3.0"
spec.constraint_mode # "subject"
spec.recommended_resampling # "grouped_cv"
spec.stratum_var # "stratum"
spec.strata() # ['case', 'case', 'ctrl', 'ctrl', 'ctrl']
# Grouping keyed by sample_id — identical to R's grouping_vector():
spec.grouping()
# {'S1': 'subject:P1', 'S2': 'subject:P1', 'S3': 'subject:P2',
# 'S4': 'subject:P3', 'S5': 'subject:P3'}
df = spec.to_frame() # pandas DataFrame of sample_dataThat is not the whole surface. The reader mirrors every top-level field of the file and adds the accessors a resampler needs:
| Attribute | From the file |
|---|---|
schema_version, constraint_mode,
constraint_strategy |
provenance of the partition |
group_var, stratum_var,
time_var, block_vars |
which column plays which role |
ordering_required |
whether the consumer must respect the ordering |
recommended_resampling |
the routine R suggests, as a plain string |
metadata |
the free-form block, including any warnings R
recorded |
sample_data, sample_ids |
the rows, in file order |
| Method | Returns |
|---|---|
groups() |
group_var per sample, in file order |
strata(column=None) |
stratum per sample; any other column on request |
order_ranks() |
order_rank per sample, None where
undetermined |
ordered_index() |
row indices sorted by order_rank, missing ranks
last |
grouping() |
{sample_id: group_id} — the analogue of
grouping_vector() |
to_frame() |
sample_data as a pandas DataFrame |
group_kfold(),
stratified_group_kfold() |
scikit-learn splitters, wired up |
Everything above to_frame() is standard library
only.
The reader checks schema_version and accepts any file
whose major version it understands — currently major
0, matching the R side’s policy. A minor bump only ever
adds fields, so an older file loads silently with the new fields absent:
a spec written before schema 0.3.0 has no stratum, and there
spec.stratum_var is None rather than an error.
A future major would be refused outright with a ValueError
naming the version, instead of being misread.
Going the other way, migrate_split_spec_json() on the R
side rewrites an old file at the current version, filling anything added
since with null. So a consumer has two options for an aged
archive and neither of them is guessing.
Rather than take the comment above on faith, we can run the shipped
Python reader on the exact file we just wrote and compare what it
recovers to R’s grouping_vector(). This is what
inst/python/conformance.py does; the chunk below invokes it
through R, so the vignette still builds without Python but says which of
the two happened rather than falling silent.
Finding the interpreter takes a little care. A name on the
PATH is not proof of a Python: Windows ships
python3.exe and python.exe launcher stubs that
print “Python not found” and exit non-zero, so
Sys.which("python3") can succeed where actually running it
does not. The helper below probes each candidate by executing it and
keeps the first that reports a Python 3 — the same rule the package’s
own conformance test uses.
find_python <- function() {
for (name in c("python3", "python")) {
candidate <- Sys.which(name)
if (!nzchar(candidate)) next
probe <- tryCatch(
suppressWarnings(system2(
candidate, c("-c", shQuote("import sys; print(sys.version_info[0])")),
stdout = TRUE, stderr = TRUE
)),
error = function(e) character()
)
if (is.null(attr(probe, "status")) && any(trimws(probe) == "3")) return(candidate)
}
""
}
python <- find_python()
nzchar(python)
#> [1] TRUEif (!nzchar(python)) {
cat("No usable Python 3 found; skipping the round-trip check.\n")
} else {
script <- system.file("python", "conformance.py", package = "splitGraph")
out_path <- tempfile(fileext = ".json")
# Run the Python reader on our JSON file; it writes back what it recovered.
status <- suppressWarnings(system2(
python, c("-B", shQuote(script), shQuote(path), shQuote(out_path)),
stdout = FALSE, stderr = FALSE
))
if (!identical(status, 0L) || !file.exists(out_path)) {
cat("The Python reader could not be run (exit status ", status, ").\n", sep = "")
} else {
recovered <- jsonlite::fromJSON(out_path)
r_grouping <- grouping_vector(constraint)
ids <- spec$sample_data$sample_id
# Grouping recovered by Python:
print(unlist(recovered$grouping))
# Identical to the grouping R produced?
cat("grouping matches:",
identical(unlist(recovered$grouping)[names(r_grouping)],
r_grouping[names(r_grouping)]), "\n")
# The script returns the ordering and the stratum annotation too.
cat("order_rank matches:",
identical(as.integer(unlist(recovered$order_ranks)[ids]),
as.integer(spec$sample_data$order_rank)), "\n")
cat("stratum matches:",
identical(unname(unlist(recovered$strata)[ids]),
spec$sample_data$stratum), "\n")
unlink(out_path)
}
}
#> S1 S2 S3 S4 S5
#> "subject:P1" "subject:P1" "subject:P2" "subject:P3" "subject:P3"
#> grouping matches: TRUE
#> order_rank matches: TRUE
#> stratum matches: TRUEThe package’s test suite runs exactly this comparison as an automated
conformance test (test-python-conformance.R, skipped when
Python is absent and never on CRAN), so the two implementations cannot
drift apart unnoticed between releases. The point is that the partition
is decided once in R and only reproduced elsewhere —
the two languages cannot disagree.
The grouping vector plugs directly into GroupKFold (or
StratifiedGroupKFold), guaranteeing that all samples from a
subject land in the same fold:
import numpy as np
from sklearn.model_selection import GroupKFold
groups = spec.groups() # group_id per sample, in file order
X = np.zeros((len(groups), 1)) # placeholder design matrix
for train_idx, test_idx in GroupKFold(n_splits=3).split(X, groups=groups):
train_groups = {groups[i] for i in train_idx}
test_groups = {groups[i] for i in test_idx}
assert train_groups.isdisjoint(test_groups) # no subject leaks across
# Same thing, with the reader building the placeholder X for you:
for train_idx, test_idx in spec.group_kfold(n_splits=3):
...To keep the outcome balanced across folds as well as keeping subjects together, use the stratum annotation. The reader has a helper that wires both in, so the caller never has to line up the two vectors by hand:
from sklearn.model_selection import StratifiedGroupKFold
# Explicit form: grouping and stratum come from the same spec, in file order.
for train_idx, test_idx in StratifiedGroupKFold(n_splits=2).split(
X, y=spec.strata(), groups=spec.groups()):
...
# Equivalent one-liner:
for train_idx, test_idx in spec.stratified_group_kfold(n_splits=2):
...strata() returns the stratum column by
default; pass a column name to stratify on something else, such as a
blocking variable. It never raises — when the spec carries no stratum it
returns None for every sample, which is what a file written
before schema 0.3.0 looks like (spec.stratum_var is
None there). The check happens one level up:
stratified_group_kfold() raises ValueError
rather than handing scikit-learn a y full of
None.
For an ordered evaluation (a mode = "time" spec), sort
by order_rank first and use
TimeSeriesSplit:
The leakage-aware partition is decided once, in R, from
explicit and validated dependency structure — and every other language
merely reproduces it from the split_spec. Nothing
about the split logic is re-implemented in Python, so the two sides
cannot drift. split_spec is the contract; scikit-learn
(here) and rsample (on the R side) are just interchangeable
consumers of it. That is what makes it an interchange format rather than
internal plumbing for any one tool.