←back to Blog

NVIDIA XGBoost 3.0: Training Terabyte-Scale Datasets with Grace Hopper Superchip

Understanding the Target Audience for NVIDIA XGBoost 3.0

The target audience for NVIDIA XGBoost 3.0 includes data scientists, machine learning engineers, and business analysts primarily in sectors such as finance, healthcare, and technology. These professionals are often tasked with developing predictive models and analyzing large datasets to drive business decisions.

Pain Points

  • Difficulty in processing large datasets efficiently due to memory constraints.
  • High operational costs associated with maintaining complex multi-node frameworks.
  • Challenges in model tuning and adapting to rapidly changing data inputs.

Goals

  • To streamline the machine learning pipeline for faster model training and deployment.
  • To reduce costs while maintaining high performance in data processing.
  • To leverage advanced technologies for competitive advantage in analytics.

Interests

  • Innovative machine learning techniques and tools.
  • Case studies demonstrating successful implementations of AI in business.
  • Best practices for optimizing machine learning workflows.

Communication Preferences

  • Technical documentation and whitepapers for in-depth understanding.
  • Tutorials and hands-on guides to facilitate implementation.
  • Webinars and online forums for community engagement and support.

NVIDIA XGBoost 3.0: Training Terabyte-Scale Datasets with Grace Hopper Superchip

NVIDIA has unveiled a significant advancement in scalable machine learning with XGBoost 3.0, which enables the training of gradient-boosted decision tree (GBDT) models on datasets ranging from gigabytes to 1 terabyte (TB) using a single GH200 Grace Hopper Superchip. This breakthrough simplifies the previously complex process of scaling machine learning (ML) pipelines, particularly for applications such as fraud detection, credit risk modeling, and algorithmic trading.

Breaking Terabyte Barriers

Central to this advancement is the new External-Memory Quantile DMatrix in XGBoost 3.0. Prior to this, GPU training was constrained by available GPU memory, limiting dataset sizes or necessitating complex multi-node frameworks. The new release leverages the Grace Hopper Superchip’s coherent memory architecture and ultrafast 900 GB/s NVLink-C2C bandwidth, allowing direct streaming of pre-binned, compressed data from host RAM to the GPU. This overcomes bottlenecks and memory constraints that previously required extensive server setups or large GPU clusters.

Real-World Gains: Speed, Simplicity, and Cost Savings

Institutions such as the Royal Bank of Canada (RBC) have reported speed improvements of up to 16 times and a 94% reduction in total cost of ownership (TCO) for model training by transitioning their predictive analytics pipelines to GPU-powered XGBoost. This efficiency is vital for workflows that involve constant model tuning and rapidly fluctuating data volumes, enabling organizations to optimize features more quickly and scale as data grows.

How It Works: External Memory Meets XGBoost

The external-memory approach introduces several innovations:

  • External-Memory Quantile DMatrix: Pre-bins every feature into quantile buckets, keeps data compressed in host RAM, and streams it as needed, maintaining accuracy while reducing GPU memory load.
  • Scalability on a Single Chip: One GH200 Superchip, with 80 GB HBM3 GPU RAM plus 480 GB LPDDR5X system RAM, can now handle a full TB-scale dataset—tasks that were previously only feasible across multi-GPU clusters.
  • Simpler Integration: For data science teams using RAPIDS, activating the new method is a straightforward drop-in, requiring minimal code changes.

Technical Best Practices

  • Use grow_policy='depthwise' for tree construction to achieve optimal performance on external memory.
  • Run with CUDA 12.8+ and an HMM-enabled driver for full Grace Hopper support.
  • Data shape matters: the number of rows (labels) is the main limiter for scaling—wider or taller tables yield comparable performance on the GPU.

Upgrades

Other highlights in XGBoost 3.0 include:

  • Experimental support for distributed external memory across GPU clusters.
  • Reduced memory requirements and initialization time, particularly for mostly-dense data.
  • Support for categorical features, quantile regression, and SHAP explainability in external-memory mode.

Industry Impact

By enabling terabyte-scale GBDT training on a single chip, NVIDIA democratizes access to large-scale machine learning for both financial and enterprise users. This innovation paves the way for faster iteration, lower costs, and reduced IT complexity.

XGBoost 3.0 and the Grace Hopper Superchip together represent a significant leap forward in scalable, accelerated machine learning.

Check out the Technical details. Feel free to check out our GitHub Page for Tutorials, Codes, and Notebooks. Also, follow us on Twitter and join our 100k+ ML SubReddit. Don’t forget to subscribe to our Newsletter.