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Jax
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# from https://medium.com/@hghcomphys/why-you-should-learn-jax-a-molecular-dynamics-showcase-f7e79b58be01 <-- show this for python code
JAX, developed by Google, offers several key features that make it
an attractive choice for scientific computing and machine learning
1. Accelerated Linear Algebra (XLA Compiler)
JAX leverages XLA to optimize matrix operations by compiling code into highly optimized kernels.
This leads to significant performance improvements through techniques like operation fusion and memory layout optimization.
2. Just-in-Time (JIT) Compilation
JAX uses JIT compilation to execute code at runtime, resulting in faster execution by compiling multiple operations together.
This is particularly beneficial in deep learning where large, repetitive computations are common.
3. Automatic Differentiation
JAX supports automatic differentiation through its grad() function, which can differentiate through Python and NumPy functions,
including loops and branches. This simplifies the implementation of backpropagation in neural networks.
4. Vectorization with vmap
JAX's vmap() function vectorizes operations, enabling batch processing of data for improved performance and memory efficiency.
This is useful for tasks that involve repeated operations on large datasets.
5. Parallelization with pmap
JAX supports parallel computation across multiple devices using pmap().
This feature allows for efficient scaling of computations, distributing workloads across available hardware resources.
6. Pure Functions and Haiku
JAX emphasizes the use of pure functions, which are functions without side effects.
Haiku, a neural network library built on JAX, transforms impure functions into pure ones,
facilitating automatic differentiation and other advanced transformations.
7. Ease of Use
JAX is designed to be user-friendly, with an API similar to NumPy, making it accessible to users familiar with
Python's scientific computing ecosystem.