XGBoost algorithm with Amazon SageMaker AI - Amazon SageMaker AI
Supported versionsEC2 instance recommendation for the XGBoost algorithm

XGBoost algorithm with Amazon SageMaker AI

The XGBoost (eXtreme Gradient Boosting) is a popular and efficient open-source implementation of the gradient boosted trees algorithm. Gradient boosting is a supervised learning algorithm that tries to accurately predict a target variable by combining multiple estimates from a set of simpler models. The XGBoost algorithm performs well in machine learning competitions for the following reasons:

  • Its robust handling of a variety of data types, relationships, distributions.

  • The variety of hyperparameters that you can fine-tune.

You can use XGBoost for regression, classification (binary and multiclass), and ranking problems.

You can use the new release of the XGBoost algorithm as either:

  • A Amazon SageMaker AI built-in algorithm.

  • A framework to run training scripts in your local environments.

This implementation has a smaller memory footprint, better logging, improved hyperparameter validation, and an bigger set of metrics than the original versions. It provides an XGBoost estimator that runs a training script in a managed XGBoost environment. The current release of SageMaker AI XGBoost is based on the original XGBoost versions 1.0, 1.2, 1.3, 1.5, and 1.7.

For more information about the Amazon SageMaker AI XGBoost algorithm, see the following blog posts:

Supported versions

  • Framework (open source) mode: 1.2-1, 1.2-2, 1.3-1, 1.5-1, 1.7-1

  • Algorithm mode: 1.2-1, 1.2-2, 1.3-1, 1.5-1, 1.7-1

Warning

Due to required compute capacity, version 1.7-1 of SageMaker AI XGBoost is not compatible with GPU instances from the P2 instance family for training or inference.

Important

When you retrieve the SageMaker AI XGBoost image URI, do not use :latest or :1 for the image URI tag. You must specify one of the Supported versions to choose the SageMaker AI-managed XGBoost container with the native XGBoost package version that you want to use. To find the package version migrated into the SageMaker AI XGBoost containers, see Docker Registry Paths and Example Code. Then choose your AWS Region, and navigate to the XGBoost (algorithm) section.

Warning

The XGBoost 0.90 versions are deprecated. Supports for security updates or bug fixes for XGBoost 0.90 is discontinued. We highly recommend that you upgrade the XGBoost version to one of the newer versions.

Note

XGBoost v1.1 is not supported on SageMaker AI. XGBoost 1.1 has a broken capability to run prediction when the test input has fewer features than the training data in LIBSVM inputs. This capability has been restored in XGBoost v1.2. Consider using SageMaker AI XGBoost 1.2-2 or later.

Note

You can use XGBoost v1.0-1, but it's not officially supported.

EC2 instance recommendation for the XGBoost algorithm

SageMaker AI XGBoost supports CPU and GPU training and inference. Instance recommendations depend on training and inference needs, as well as the version of the XGBoost algorithm. Choose one of the following options for more information:

Training

The SageMaker AI XGBoost algorithm supports CPU and GPU training.

CPU training

SageMaker AI XGBoost 1.0-1 or earlier only trains using CPUs. It is a memory-bound (as opposed to compute-bound) algorithm. So, a general-purpose compute instance (for example, M5) is a better choice than a compute-optimized instance (for example, C4). Further, we recommend that you have enough total memory in selected instances to hold the training data. It supports the use of disk space to handle data that does not fit into main memory. This is a result of the out-of-core feature available with the libsvm input mode. Even so, writing cache files onto disk slows the algorithm processing time.

GPU training

SageMaker AI XGBoost version 1.2-2 or later supports GPU training. Despite higher per-instance costs, GPUs train more quickly, making them more cost effective.

SageMaker AI XGBoost version 1.2-2 or later supports P2, P3, G4dn, and G5 GPU instance families.

SageMaker AI XGBoost version 1.7-1 or later supports P3, G4dn, and G5 GPU instance families. Note that due to compute capacity requirements, version 1.7-1 or later does not support the P2 instance family.

To take advantage of GPU training:

  • Specify the instance type as one of the GPU instances (for example, P3)

  • Set the tree_method hyperparameter to gpu_hist in your existing XGBoost script

Distributed training

SageMaker AI XGBoost supports CPU and GPU instances for distributed training.

Distributed CPU training

To run CPU training on multiple instances, set the instance_count parameter for the estimator to a value greater than one. The input data must be divided between the total number of instances.

Divide input data across instances

Divide the input data using the following steps:

  1. Break the input data down into smaller files. The number of files should be at least equal to the number of instances used for distributed training. Using multiple smaller files as opposed to one large file also decreases the data download time for the training job.

  2. When creating your TrainingInput, set the distribution parameter to ShardedByS3Key. With this, each instance gets approximately 1/n of the number of files in S3 if there are n instances specified in the training job.

Distributed GPU training

You can use distributed training with either single-GPU or multi-GPU instances.

Distributed training with single-GPU instances

SageMaker AI XGBoost versions 1.2-2 through 1.3-1 only support single-GPU instance training. This means that even if you select a multi-GPU instance, only one GPU is used per instance.

You must divide your input data between the total number of instances if:

  • You use XGBoost versions 1.2-2 through 1.3-1.

  • You do not need to use multi-GPU instances.

For more information, see Divide input data across instances.

Note

Versions 1.2-2 through 1.3-1 of SageMaker AI XGBoost only use one GPU per instance even if you choose a multi-GPU instance.

Distributed training with multi-GPU instances

Starting with version 1.5-1, SageMaker AI XGBoost offers distributed GPU training with Dask. With Dask you can utilize all GPUs when using one or more multi-GPU instances. Dask also works when using single-GPU instances.

Train with Dask using the following steps:

  1. Either omit the distribution parameter in your TrainingInput or set it to FullyReplicated.

  2. When defining your hyperparameters, set use_dask_gpu_training to "true".

Important

Distributed training with Dask only supports CSV and Parquet input formats. If you use other data formats such as LIBSVM or PROTOBUF, the training job fails.

For Parquet data, ensure that the column names are saved as strings. Columns that have names of other data types will fail to load.

Important

Distributed training with Dask does not support pipe mode. If pipe mode is specified, the training job fails.

There are a few considerations to be aware of when training SageMaker AI XGBoost with Dask. Be sure to split your data into smaller files. Dask reads each Parquet file as a partition. There is a Dask worker for every GPU. As a result, the number of files should be greater than the total number of GPUs (instance count * number of GPUs per instance). Having a very large number of files can also degrade performance. For more information, see Dask Best Practices.

Variations in output

The specified tree_method hyperparameter determines the algorithm that is used for XGBoost training. The tree methods approx, hist and gpu_hist are all approximate methods and use sketching for quantile calculation. For more information, see Tree Methods in the XGBoost documentation. Sketching is an approximate algorithm. Therefore, you can expect variations in the model depending on factors such as the number of workers chosen for distributed training. The significance of the variation is data-dependent.

Inference

SageMaker AI XGBoost supports CPU and GPU instances for inference. For information about the instance types for inference, see Amazon SageMaker AI ML Instance Types.