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GPU-Accelerated Computing with Python 3 and CUDA

GPU-Accelerated Computing with Python 3 and CUDA

By : Niels Cautaerts, Hossein Ghorbanfekr
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GPU-Accelerated Computing with Python 3 and CUDA

GPU-Accelerated Computing with Python 3 and CUDA

By: Niels Cautaerts, Hossein Ghorbanfekr

Overview of this book

Writing high-performance Python code doesn’t have to mean switching to C++. This book shows you how to accelerate Python applications using NVIDIA’s CUDA platform and a modern ecosystem of Python tools and libraries. Aimed at researchers, engineers, and data scientists, it offers a practical yet deep understanding of GPU programming and how to fully exploit modern GPU hardware. You’ll begin with the fundamentals of CUDA programming in Python using Numba-CUDA, learning how GPUs work and how to write, execute, and debug custom GPU kernels. Building on this foundation, the book explores memory access optimization, asynchronous execution with CUDA streams, and multi-GPU scaling using Dask-CUDA. Performance analysis and tuning are emphasized throughout, using NVIDIA Nsight profilers. You’ll also learn to use high-level GPU libraries such as JAX, CuPy, and RAPIDS to accelerate numerical Python workflows with minimal code changes. These techniques are applied to real-world examples, including PDE solvers, image processing, physical simulations, and transformer models. Written by experienced GPU practitioners, this hands-on guide emphasizes reproducible workflows using Python 3.10+, CUDA 12.3+, and tools like the Pixi package manager. By the end, you’ll have future-ready skills for building scalable GPU applications in Python.
Table of Contents (24 chapters)
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1
Part 1: Fundamentals of GPU programming with CUDA in Python 3
6
Part 2: Performance Optimization and Advanced CUDA Topics
10
Part 3: Using High-Level Python Libraries for GPU Computation
14
Part 4: Real-World Example Applications
19
Part 5: Beyond This Book
23
Index

Summary

We built a transformer-based language model using JAX, demonstrating the basics of how modern LLMs function under the hood. Our goal was to implement a small, GPT-style generative model capable of producing human-like text. We began by understanding the necessary components of transformer models, such as the attention mechanism, multi-head self-attention, and feed-forward networks. These formed the foundation for constructing a full transformer layer.

We also explored the concept of embeddings, covering both token and positional embeddings, to represent text in a format suitable for neural networks. With these pieces in place, we assembled a decoder-only transformer model following the GPT-2 architecture. We tokenized input text using HG's GPT-2 tokenizer and created fixed-length sequences of input for training.

Finally, we defined the loss function, optimizer, and training state. We implemented and ran a training loop to train our model. Though our initial model was small...

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GPU-Accelerated Computing with Python 3 and CUDA
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