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v1.6.0 release note. [skip ci] #7746

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Expand Up @@ -3,6 +3,246 @@ XGBoost Change Log

This file records the changes in xgboost library in reverse chronological order.

## v1.6.0 (2022 Mar 26)

After a long period of development, XGBoost v1.6.0 is packed with many new features and
improvements. We summarize them in the following sections starting with an introduction to
some major new features, then moving onto language binding specific changes including new
features and notable bug fixes for that binding.

### Development on categorical data support
This version of XGBoost features new improvements and full coverage of experimental
categorical data support in Python and C package with tree model. Both `hist`, `approx`
and `gpu_hist` now supports training with categorical data. Also, partition-based
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categorical split is featured in this release. This split type is first available in
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LightGBM in the context of gradient boosting. In the previous version, only `gpu_hist`
supports one-hot encoding based split which has the form of `x \in {c}` where `{c}` is the
set of all categories. In this new release, the `{c}` can be optionally split into 2 sets
for the left and right nodes using any of the aforementioned tree methods. For more
information, please see our tutorial on [categorical
data](https://xgboost.readthedocs.io/en/latest/tutorials/categorical.html), along with
examples linked on that page. (#7380, #7708, #7695, #7330, #7307, #7322, #7705,
#7652, #7592, #7666, #7576, #7569, #7529, #7575, #7393, #7465, #7385, #7371, #7745)

In the future, we will continue to improve categorical data support with new features and
optimizations. Also, we are looking forward to bringing the feature beyond Python binding,
contributions and feedback are welcomed! Lastly, as a result of experimental status, the
behavior might be subject to change, especially the default value of related
hyper-parameters.

### Experimental support for multi-output model

XGBoost 1.6 features initial support for the multi-output model, which includes
multi-output regression and multi-label classification. Along with this, the XGBoost
classifier has proper support for base-margin without to need for the user to flatten the
input. In this initial support, XGBoost builds one model for each target similar to the
sklearn meta estimator, for more details, please see our [quick
introduction](https://xgboost.readthedocs.io/en/latest/tutorials/multioutput.html).

(#7365, #7736, #7607, #7574, #7521, #7514, #7456, #7453, #7455, #7434, #7429, #7405, #7381)

### External memory support
External memory support for both approx and hist tree method is considered feature
complete in XGBoost 1.6. Building upon the iterator-based interface introduced in the
previous version, now both `hist` and `approx` iterates over each batch of data during
training and prediction. In previous versions, `hist` concatenates all the batches into
an internal representation, which is removed in this version. As a result, users can
expect higher scalability in terms of data size but might experience lower performance due
to disk IO. (#7531, #7320, #7638, #7372)

### Rewritten approx

The `approx` tree method is rewritten based on the existing `hist` tree method, the
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rewrite closes the feature gap between `approx` and `hist` and improves the performance.
Now the behavior and `approx` should be more aligned with `hist` and `gpu_hist`, here's a
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list of user-visible changes:

- Supports both `max_leaves` and `max_depth`.
- Supports `grow_policy`.
- Supports monotonic constraint.
- Supports feature weights.
- Use `max_bin` to replace `sketch_eps`.
- Supports for categorical data.
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- Faster performance for many of the datasets.
- Improved performance and robustness for distributed training.
- Supports prediction cache.
- Significantly better performance for external memory.
- Unites the code base between approx and hist.

### New serialization format
Based on the existing JSON serialization format, we introduce UBJSON support as a more
efficient alternative. Both formats will be available in the future and we plan to
gradually [phase out](https://github.com/dmlc/xgboost/issues/7547) support for the old
binary model format. Users can opt to use the different formats in the serialization
function by providing the file extension `json` or `ubj`. Also, the `save_raw` function in
all supported languages bindings gain a new parameter for exporting the model in different
formats, available options are `json`, `ubj` and `deprecated`, see document for the
language binding you are using for details. Lastly, the default internal serialization
format is set to UBJSON, which affects Python pickle and R RDS. (#7572, #7570, #7358,
#7571, #7556, #7549, #7416)

### General new features and improvements
Aside from the major new features mentioned above, some others are summarized here:

* Users can now access the build information of XGBoost binary in Python and C
interface. (#7399, #7553)
* Auto-configuration of `seed_per_iteration` is removed, now distributed training should
generate closer results to single node training when sampling is used. (#7009)
* A new parameter `huber_slope` is introduced for the `Pseudo-Huber` objective.
* During source build, XGBoost can choose cub in the system path automatically. (#7579)
* XGBoost now honors the CPU counts from CFS, which is usually set in docker
environments. (#7654, #7704)
* The metric `aucpr` is rewritten for better performance and GPU support. (#7297, #7368)
* Metric calculation is now performed in double precision. (#7364)
* XGBoost no longer mutates the global OpenMP thread limit. (#7537, #7519, #7608, #7590,
#7589, #7588, #7687)
* The default behavior of `max_leave` and `max_depth` is now unified (#7302, #7551).
* CUDA fat binary is now compressed. (#7601)
* Deterministic result for evaluation metric and linear model In previous versions of
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XGBoost, evaluation results might differ slightly for each run due to parallel reduction
for floating-point values, which is now addressed. (#7362, #7303, #7316, #7349)
* XGBoost now uses double for GPU Hist node sum, which improves the accuracy of
`gpu_hist`. (#7507)

### Performance improvements
Most of the performance improvements are integrated into other refactors during feature
developments. The `approx` should see significant performance gain for many datasets as
mentioned in the previous section, while the `hist` tree method also enjoys improved
performance with the removal of the internal `pruner` along with some other
refactoring. Lastly, `gpu_hist` no longer synchronizes the device during training. (#7737)

### General bug fixes
This section lists bug fixes that are not specific to any language binding.

* Fixes in CMake script for exporting configuration. (#7730)
* XGBoost can now handle unsorted sparse input. This includes text file formats like
libsvm and scipy sparse matrix where column index might not be sorted. (#7731)
* Fix tree param feature type, this affects inputs with the number of columns greater than
the maximum value of int32. (#7565)
* Fix external memory with gpu_hist and subsampling. (#7481)
* Check number of trees in inplace predict, this avoids a potential segfault when an
incorrect value for `iteration_range` is provided. (#7409)

### Changes in the Python package
Other than the changes in Dask, the XGBoost Python package gained some new features and
improvements along with small bug fixes.

* Python 3.7 is required as the lowest Python version. (#7682)
* Pre-built binary wheel for Apple Silicon. (#7621, #7612, #7747) Apple Silicon users will
now be able to run `pip install xgboost` to install XGBoost.
* MacOS users no longer need to install `libomp` from Homebrew, as the XGBoost wheel now
bundles `libomp.dylib` library.
* There are new parameters for users to specify the custom metric with new
behavior. XGBoost can now output transformed prediction values when a custom objective is
not supplied. See our explanation in the
[tutorial](https://xgboost.readthedocs.io/en/latest/tutorials/custom_metric_obj.html#reverse-link-function)
for details.
* For sklearn interface, following the estimator guideline from scikit-learn, all
parameters in `fit` that are not related to input data are moved into the constructor
and can be set by `set_params`. (#6751, #7420, #7375, #7369)
* Apache arrow format is now supported, which can bring better performance to users'
pipeline (#7512)
* A new function `get_group` is introduced for `DMatrix` to allow users to get the group
information in the custom objective function. (#7564)
* More training parameters are exposed in the sklearn interface instead of relying on the
`**kwargs`. (#7629)
* A new attribute `feature_names_in_` is defined for all sklearn estimators like
`XGBRegressor` to follow the convention of sklearn. (#7526)
* More work on Python type hint. (#7432, #7348, #7338, #7513, #7707)
* Support the latest pandas Index type. (#7595)
* Fix for Feature shape mismatch error on s390x platform (#7715)
* Fix using feature names for constraints with multiple groups (#7711)
* We clarified the behavior of the callback function when it contains mutable
states. (#7685)
* Lastly, there are some code cleanups and maintenance work. (#7585, #7426, #7634, #7665,
#7667, #7377, #7360, #7498, #7438, #7667)

### Changes in Dask interface
* Dask module now supports user-supplied host IP and port address of scheduler node.
Please see [introduction](https://xgboost.readthedocs.io/en/latest/tutorials/dask.html#troubleshooting) and
[API document](https://xgboost.readthedocs.io/en/latest/python/python_api.html#optional-dask-configuration)
for reference. (#7645, #7581)
* Internal `DMatrix` construction in dask now honers thread configuration. (#7337)
* A fix for `nthread` configuration using the Dask sklearn interface. (#7633)
* The Dask interface can now handle empty partitions. An empty partition is different
from an empty worker, the latter refers to the case when a worker has no partition of an
input dataset, while the former refers to some partitions on a worker that has zero
sizes. (#7644, #7510)
* Scipy sparse matrix is supported as Dask array partition. (#7457)
* Dask interface is no longer considered experimental. (#7509)

### Changes in R package
This section summarizes the new features, improvements, and bug fixes to the R package.

* `load.raw` can optionally construct a booster as return. (#7686)
* Fix parsing decision stump, which affects both transforming text representation to data
table and plotting. (#7689)
* Implement feature weights. (#7660)
* Some improvements for complying the CRAN release policy. (#7672, #7661)
* Support CSR data for predictions (#7615)
* Document update (#7263, #7606)
* New maintainer for the CRAN package (#7691, #7649)

### JVM-packages
Some new features for JVM-packages are introduced for a more integrated GPU pipeline and
better compatibility with musl-based Linux. Aside from this, we have a few notable bug
fixes.

* Add support for detecting musl-based Linux (#7624)
* Add `DeviceQuantileDMatrix` to Scala binding (#7459)
* Add Rapids plugin support (#7491)
* The setters for CPU and GPU are more aligned (#7692)
* Control logging for early stopping (#7326)
* Do not repartition when nWorker = 1 (#7676)
* Fix the prediction issue for `multi:softmax` (#7694)
* Fix for serialization of custom objective and eval (#7274)
* Update documentation about Python tracker (#7396)
* Some refactoring to the training pipeline for better compatibility between CPU and
GPU. (#7440, #7401)
* Maintenance work. (#7550, #7335, #7641, #7523, #6792, #4676)

### Deprecation
Other than the changes in the Python package and serialization, we removed some deprecated
features in previous releases. Also, as mentioned in the previous section, we plan to
phase out the old binary format in future releases.

* Remove old warning in 1.3 (#7279)
* Remove label encoder deprecated in 1.3. (#7357)
* Remove old callback deprecated in 1.3. (#7280)

### Documentation
This section lists some of the general changes to XGBoost's document, for language binding
specific change please visit related sections.

* Document is overhauled to use the new RTD theme, along with integration of Python
examples using Sphinx gallery. Also, we replaced most of the hard-coded URLs with sphinx
references. (#7347, #7346, #7468, #7522, #7530)
* Small update along with fixes for broken links, typos, etc. (#7684, #7324, #7334, #7655,
#7628, #7623, #7487, #7532, #7500, #7341, #7648, #7311)
* Update document for GPU. [skip ci] (#7403)
* Document the status of RTD hosting. (#7353)
* Update document for building from source. (#7664)
* Add note about CRAN release [skip ci] (#7395)

### Maintenance
This is a summary of maintenance work that is not specific to any language binding.

* Add CMake option to use /MD runtime (#7277)
* Add clang-format configuration. (#7383)
* Code cleanups (#7539, #7536, #7466, #7499, #7533, #7735, #7722, #7668, #7304, #7293,
#7321, #7356, #7345, #7387, #7577, #7548, #7469, #7680, #7433, #7398)
* Improved tests with better coverage and latest dependency (#7573, #7446, #7650, #7520,
#7373, #7723, #7611)
* Improved automation of the release process. (#7278, #7332, #7470)
* Compiler workarounds (#7673)
* Change shebang used in CLI demo. (#7389)
* Update affiliation (#7289)

### CI
Some fixes and update to XGBoost's CI infrastructure. (#7739, #7701, #7382, #7662, #7646,
#7582, #7407, #7417, #7475, #7474, #7479, #7472, #7626)


## v1.5.0 (2021 Oct 11)

This release comes with many exciting new features and optimizations, along with some bug
Expand Down