Benoit Bovy
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# Weekly Xarray Flexible Indexes Refactor Meeting Notes Jan 11 -- Stephan: do we have a meeting today? Deepak: I guess not? Stephan: Yes, I guess not. I emailed Benoit. ## December 7, 2021 Refactor `concat` (`_dataset_concat` internals): - `_calc_concat_dim_coord` - maybe return a `PandasIndex` instance too. - `_calc_concat_over` - If a meta-index is involved in `concat_over`, append to the latter all coordinate names related to the index (even coordinates that won't be concatenated). There's no need to merge coordinate variables that could possibly be created from the concatenated meta-index (i.e., returned by `Index.concat()`). - Merge unconcatenated variables - Merge unconcateneted indexes too - Use `collect_variables_and_indexes` and `merged_collected` directly for convenience (not sure about the impact on performance...) - Need to add an argument in `collect_variables_and_indexes` so that we can skip `concat_over` - Stack-up variables - Check first for the presence of indexes, maybe concatenate the indexes (if `Index.concat()` is implemented) and create new coordinate variables from the resulting index (if `Index.create_variables()` is implemented) - Fallback to `concat_vars()` ## November 23, 2021 Useful identity: `ds == concat([ds.isel(x=slice(5)), ds.isel(x=slice(5, None))], dim='x')` Do we need to refactor `concat` now? (IMO: yes) - Currently working, even for multi-indexes it yields consistent results (multiple coordinates with the same index object), although indexes wrapped in coordinate variables are not the same objects than indexes returned by `ds.indexes`. - However, it likely won't work when we'll drop implicit creation of indexes from coordinates in `Dataset.__init__()` - Performance issue: the same multi-indexes are concatenated together as many times as their levels (since `concat` works with one variable at a time) - Not compatible with "meta-indexes" Refactor `concat`: - Add `Index.concat` abstract class method, which basically does the same internally than `IndexVariable.concat`. The latter won't be needed anymore. - If `Index.concat` is not implemented, index is dropped in the resulting `Dataset` or `DataArray` and fallback to coordinate variable(s) `concat`. - Like in the `merge` implementation, still loop trough variables and cache `concat` of multi-coordinate indexes - Xarray objects are already aligned internally in `concat`, so extracting the indexes to concat together should be relatively straightforward ## November 09, 2021 Status: https://github.com/pydata/xarray/pull/5692 TODO: - refactor `concat` (+ dependents like `groupby` (combine) and `to_stacked_array`) - Fix tests - Clean-up ## October 26, 2021 - `merge_core`: check for potential index conflicts when `prioritized is not None`? - https://github.com/pydata/xarray/issues/5647#issuecomment-949618104 - `create_index` option for `.stack()` ## October 19, 2021 https://github.com/pydata/xarray/issues/5647 ## October 12, 2021 https://github.com/pydata/xarray/issues/5647#issuecomment-937865982 ## October 5, 2021 ## September 28, 2021 Status: https://github.com/pydata/xarray/pull/5692 TODO: - Remaining issues (70+ failing tests): - test_dataarray (`swap_dims`, `update`, etc.) - test_dataset (`swap_dims`, `to_stacked_array`, `polyfill`, `isel`, etc.) - test_plot (interval index + implicit coord creation) - test_backends (49 test failing locally but not on CI?) - test_dask (did not investigate yet) - test_groupby (did not investigate yet) - test_units (did not investivate yet) - Implicit Creation of coordinates from multi-index: - Struggling to find a robust approach: currently check for conflicts between levels and other coordinates, but "false negative" when passing all multi-index coordinates from an existing DataArray to a new DataArray - Should Xarray indexes provide optional implementation of `isel`? - Currently both indexes and variables are indexed separately, which has some possible downsides: - the same index may be indexed more than once (multi-index) - possible unsync (different underlying objects) between variables and indexes - Opportunity to implement custom behavior (e.g., staggered grid meta-index -> consistent selection of cell centers vs. cell edges) - Indexes without any implementation will be dropped. - Rename `Index.query` to `Index.sel`? And add `Index.isel`? - Assign / update coordinates: maybe drop (multi-coordinate) indexes - Complex logic: clean-up -> align -> merge ... - Any pointer or hint on what would be the best place to check this would be greatly appreciated!! - -> don't allow update/remove a coordinate that is part of a multi-coordinate index - Allow non-1D variables with a name that matches one of their dimensions. - https://github.com/pydata/xarray/issues/2233 - https://github.com/pydata/xarray/pull/2405 - Do this now or later? - Remove `.level_coords` - And refactor everything that relies on it ## September 14, 2021 Status: https://github.com/pydata/xarray/pull/5692 - refactor label-based selection - refactor `rename_*` - refactored `set_index`, `reset_index`, `reorder_levels` (notebook showcase) Small changes in behavior (no API change), mostly to get rid of "hacky" workarounds due to the limitations of the "index/dimension" coordinates concept (we don't need it anymore with the new data model). Is it ok to introduce those changes now? Or should we go through some smooth transition? See https://github.com/pydata/xarray/issues/4825#issuecomment-916974087 ## September 7, 2021 #### Index.query API https://github.com/pydata/xarray/pull/5692#issuecomment-914207743 ```python @dataclass class QueryOptions: """Base class used by Xarray indexes to define query options.""" ... @dataclass class QueryResult: """Index query results. Attributes ---------- dim_indexers: dict A dictionary where keys are array dimensions and values are location-based indexers. indexes: dict, optional New indexes to replace in the resulting DataArray or Dataset. index_vars : dict, optional New indexed variables to replace in the resulting DataArray or Dataset. drop_coords : list, optional Coordinate(s) to drop in the resulting DataArray or Dataset. rename_dims : dict, optional A dictionnary in the form ``{old_dim: new_dim}`` for dimension(s) to rename in the resulting DataArray or Dataset. """ dim_indexers: Mapping[Any, Any] indexes: Dict[Hashable, "Index"] = field(default_factory=dict) index_vars: "IndexVars" = field(default_factory=dict) drop_coords: List[Hashable] = field(default_factory=list) rename_dims: Mapping[Any, Hashable] = field(default_factory=dict) ``` ```python class Index: query_options: Type[QueryOptions] = QueryOptions def query(labels: Dict[Any: Any], options: QueryOptions) -> QueryResult: raise NotImplementedError() ``` ```python @dataclass class PandasIndexQueryOptions(QueryOptions): method: Optional[str] = None tolerance: Optional[float] = None def __post_init__(self): if self.method is not None and not isinstance(self.method, str): raise TypeError("``method`` must be a string") ``` ```python def group_indexers_by_index( obj: Union["DataArray", "Dataset"], indexers: Mapping[Any, Any], options: Mapping[str, Any], ) -> Tuple[Dict[int, "Index"], Dict[Union[int, None], Dict]]: """Returns a dictionary of unique index items and another dictionary of label indexers grouped by index (both using the same index ids as keys). """ unique_indexes = {} grouped_indexers: Mapping[Union[int, None], Dict] = defaultdict(dict) for key, label in indexers.items(): index: "Index" = obj.xindexes.get(key, None) if index is not None: index_id = id(index) unique_indexes[index_id] = index grouped_indexers[index_id][key] = label invalid_options = set(options) - {f.name for f in fields(index.query_options)} if invalid_options: raise ValueError( f"Invalid selection options for {type(index)!r}:" + ",".join(invalid_options) ) elif key in obj.coords: raise KeyError(f"no index found for coordinate {key}") elif key not in obj.dims: raise KeyError(f"{key} is not a valid dimension or coordinate") elif len(options): raise ValueError( f"cannot supply selection options {options!r} for dimension {key!r}" "that has no associated coordinate or index" ) else: # key is a dimension without coordinate # failback to location-based selection grouped_indexers[None][key] = label return unique_indexes, dict(grouped_indexers) ``` ## August 31, 2021 #### Explicit indexes https://github.com/pydata/xarray/pull/5692 #### Normalize label-based indexers before passing them to `Index.query`? https://github.com/pydata/xarray/issues/5697 (Benoît): probably better to let indexes take care of normalization. - pandas indexes: lots of edge cases, many types (slices, single items, sequences, etc.) - xoak: currently only accepts xarray objects (`Variable` or `DataArray`) A lot of flexibility but also a lot of responsibility for xarray `Index` If repetitive patterns emerge in custom indexes implementations, we could eventually implement some convenient layer via `Query` and `QueryResult` classes used as interface to `Index.query`. ## August 24, 2021 Explicit indexes, the big PR: https://github.com/pydata/xarray/pull/5692 - create default indexes using `PandasIndex` and `PandasMultiIndex` classes - get rid of multi-index virtual coordinates (mostly) - updated reprs (some remaining tweaks to do) This refactoring has lots of impacts, fix the broken tests will probably require update and/or refactor things like: - `rename` vars / dims - `set_index` / `reset_index` - `stack` / `unstack` - `sel` - ... At this point, I'm wondering whether we should depreciate a couple of things now or later: - Passing a multi-index directly as a coordinate in Dataset / DataArray constructors Currently, level coordinates are implicitly created from the multi-index. Suggested behavior: treat the index as an array-like (single coordinate) by default and encourage passing it more explicitly, e.g., something like ```python midx = pd.MultiIndex.from_arrays([[...], [...]], names=("foo", "bar")) coords, index = xr.PandasMultiIndex.from_pandas_index(midx, dim=“x”) ds = xr.Dataset(coords=coords, indexes={("foo", "bar"): index}) ``` Maybe OK? ```python foo = np.array(...) bar = np.array(...) midx = pd.MultiIndex.from_arrays([foo, bar], names=("foo", "bar")) ds = xr.Dataset(coords=coords, indexes={"foo": midx, "bar": midx}) ``` Existing code (not ideal): ```python ds = xr.Dataset() ds.coords['foo_bar'] = pd.MultiIndex.from_arrays( [[...], [...]], names=("foo", "bar"), ) # currently: MultiIndex "foo_bar" with levels "foo" and "bar" # very soon: issue FutureWarning. Both array of tuples # "foo_bar" and arrays "foo" and "bar". # in a few releases: raise an error (we don't want the # array "foo_bar") # much later: Array of tuples, not a MultiIndex. ``` - `IndexVariable.level_names` and `IndexVariable.get_level_variable` - remove as soon as possible (these can dissappear with the deprecated "foo_bar" Variables of tuples) - Maybe #5732 too? ## August 10, 2021 https://discourse.pangeo.io/t/handling-slicing-with-circular-longitude-coordinates-in-xarray/1608 Possible "explosion" of custom indexes? Very complex "meta-indexes"? Index overlapping goals & features. How best to avoid the development of a messy ecosystem built on top of xarray.Index? An example of geo-aware indexes: ![](https://i.imgur.com/tK1IiYI.png) Alternatives? Some sort of protocol? Data model allowing coordinates with multiple indexes? ## August 3, 2021 ### Xarray index vs. variables API - https://github.com/pydata/xarray/pull/5636 - https://github.com/pydata/xarray/issues/5647 - https://github.com/pydata/xarray/issues/5645 **Option A** Every operation that returns a new `xarray.Index` (e.g., set a new index from variables, selection, join) may (or should?) also return new `IndexVariable` object(s). If no variable is returned, the input variables or the original index variables will be reused (maybe converted into `IndexVariable` objects). ```python= IndexVars = Dict[Hashable, "IndexVariable"] IndexAndVars = Tuple["Index", Optional[IndexVars]] class Index: @classmethod def from_variables( cls, variables: Dict[Hashable, "Variable"], **kwargs ) -> IndexAndVars: ... def query( self, labels: Dict[Hashable, Any] ) -> Tuple[Any, Optional[IndexAndVars]]: ... def union(self, other) -> IndexAndVars: ... def intersection(self, other) -> IndexAndVars: ... def rename(self, var_names) -> ???: ... def copy(self, deep: bool = True) -> ???: ... def __getitem__(self, indexer: Any) -> ???: ... ``` - More complex return types and potentially more arguments to pass on to other functions. - What about `copy` and `__getitem__`? Seems not conventional to return anything other than a new `Index` object. But if we copy indexes and variables independently, we could unsync them, i.e., ```python= # Is it an issue? new_xr_var._data is new_xr_index.index # might be False new_xr_var._data == new_xr_index.index # still true ``` - What about `rename`? If we don't rename the underlying index in-place, e.g., pd.Index.rename(inplace=False), we may need to return new variables as well. **Option B** Alternatively, use an `xarray.Index.coords` property? But API more confusing, separation of concerns is less clear, how to check that new variables are returned, etc. ## July 27, 2021 https://github.com/pydata/xarray/pull/5636 ## July 20, 2021 https://github.com/pydata/xarray/issues/5553 ## June 29, 2021 - Decouple indexes and coordinates - (not only) get rid of multi-index virtual coordinates, (also) set the path toward a flexible data model - Loose vs. tight relationship `xarray.Index` <-> a set of coordinates 1. may an `xarray.Index` instance be shared among different xarray `DataArray` / `Dataset` objects? 2. an `xarray.Index` internally needs information like the coordinate name(s), dimension(s), shape(s), etc. (e.g., `xoak` use case: back and forth transformation of n-d coordinate arrays from/to a 2-d array of shape `(npoints, ncoordinates)`) 3. so maybe (1) is not possible and an `xarray.Index` should be tightly coupled to a `DataArray` / `Dataset` ? - do not wrap an `xarray.Index` anymore into an `xarray.IndexVariable` - instead expose `xarray.Index`'s `.from_variables` and `.to_variables` API? - how to reuse an existing index when building a new one (e.g., `set_index(..., append=True)`)? Using a `.from_variables` class method may not be the best option... Stick with `__init__`? - Option A: `from_variables` / `to_variables` API ```python= class Index: """Base class inherited by all xarray-compatible indexes.""" # what would be self.coords? # where setting self.coords? `__init__` or `from_variables`? __slots__ = ("coords",) @classmethod def from_variables(cls, variables: Dict[Hashable, "Variable"], **kwargs): raise NotImplementedError() def to_variables(self) -> Dict[Hashable, "Variable"]: raise NotImplementedError() ``` Option B: constructor signature + `coords` attribute ```python= class Index: """Base class inherited by all xarray-compatible indexes.""" __slots__ = ("coords",) def __init__( self, coords: Dict[Hashable, "Variable"], # could be more flexible? index: Optional[Any] = None, **kwargs ): # it may be more complex than this, e.g., # create the underlying index then # create new xarray variables from LazilyIndexedArray objects self.coords = coords ``` ## June 22, 2021 - API for setting custom indexes - best strategy for updating `set_index` API? See [notes](https://github.com/pydata/xarray/blob/master/design_notes/flexible_indexes_notes.md#222-datasetdataarrays-set_index-method) - Deepak: could have`assign_indexes` that looks like `assign_coords` (accepts a mapping) - or maybe another method: `set_xindex`? (like `.indexes` vs `.xindexes` properties) - Justus: use a namespace / accessor - Deepak: or maybe `.xindexes[("x", "y")] = CRSIndex(...)` - Benoit: requires duplication of variable names in some cases - Benoit: would be in-place operation - `Dataset` / `DataArray` constructors: - depreciate passing indexes through `coords`? ## June 8, 2021 - Current status: all index-based operations go through `xarray.Index` - `pandas.Index` -> `xarray.PandasIndex` and `pandas.MultiIndex` -> `xarray.PandasMultiIndex` - `xarray.Index`'s `equal`, `union` and `intersection` methods for alignment - `xarray.Index.query` method for label-based selection - `xarray.Index.to_pandas_index()` for all other operations in Xarray that still rely exclusively on `pandas.Index` - Feedback on https://github.com/pydata/xarray/pull/5322 ? - Next step: update the data model (index <1:many> coordinates and/or dimensions) - Go step by step (separate PRs) but what's the best strategy? - Still focus on `PandasIndex` and `PandasMultiIndex` for now - Keep `IndexVariable` for now - Allow multiple indexes for one dimension? (i.e., two coordinates with each a `pandas.Index`) - What API? update `set_index`? - How to combine results from `equal`, `union`, `intersection`, `query`? - Many places still expect `Dataset.xindexes` (or `Dataset.indexes`) to return one index per dimension - Multiple multi-indexes for one dimension? Sounds crazy. - Multi-index virtual coordinates -> real coordinates - How best to avoid data copy/duplication?

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