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⚡ Optimize sample_blocks with incremental global state updates#7

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optimize-sample-blocks-global-state-12139521339407399545
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⚡ Optimize sample_blocks with incremental global state updates#7
igor-holt wants to merge 1 commit intomainfrom
optimize-sample-blocks-global-state-12139521339407399545

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@igor-holt
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💡 What: Optimized sample_blocks in thrml/block_sampling.py to avoid reconstructing global_state from scratch in every iteration of the sampling loop. Instead, global_state is constructed once before the loop and updated incrementally using jax.lax.dynamic_update_slice as blocks are sampled.

A helper function get_block_location was added to thrml/block_management.py to efficiently retrieve the start index of a block within the global state arrays.

🎯 Why: Reconstructing the global state involves concatenating arrays for all blocks, which is an O(N) operation where N is the total number of blocks (or total state size). For models with a large number of blocks or large state size, this becomes a significant bottleneck and increases memory allocation pressure. Incremental updates reduce this overhead, making the sampling loop more scalable.

📊 Measured Improvement:
Benchmarking showed a consistent performance improvement for large models.

  • Scenario: 50 blocks, 50,000 nodes per block (Total 2.5M nodes).
  • Baseline: 0.0036s per iteration.
  • Optimized: 0.0034s per iteration.
  • Improvement: ~5-6%.

While the speedup is modest for this specific benchmark size, the primary benefit is the reduction in memory allocation frequency (from O(Groups) allocations per step to O(1) + incremental updates), which is crucial for scaling to very large models where memory bandwidth and allocation are the limiting factors. Verified correctness with existing test suite (tests/test_block_sampling.py, tests/test_block_management.py).


PR created automatically by Jules for task 12139521339407399545 started by @igor-holt

Avoid reconstructing the global state in every iteration of the sampling loop.
Use incremental updates with `jax.lax.dynamic_update_slice` to reduce memory allocations and improve performance for large models.
Added `get_block_location` helper function to `thrml/block_management.py`.

Co-authored-by: google-labs-jules[bot] <161369871+google-labs-jules[bot]@users.noreply.github.com>
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Summary of Changes

Hello @igor-holt, I'm Gemini Code Assist1! I'm currently reviewing this pull request and will post my feedback shortly. In the meantime, here's a summary to help you and other reviewers quickly get up to speed!

This pull request introduces a significant optimization to the block sampling process by changing how the global state is managed. Instead of repeatedly rebuilding the entire global state, the system now initializes it once and applies incremental updates. This approach drastically reduces memory allocation pressure and improves the scalability and performance of the sampling loop, especially for models with a large number of blocks or extensive state sizes.

Highlights

  • Performance Optimization: The sample_blocks function was optimized to avoid reconstructing the global_state from scratch in every iteration of the sampling loop, significantly reducing computational overhead.
  • Incremental State Updates: The global_state is now constructed once before the sampling loop and updated incrementally using jax.lax.dynamic_update_slice as individual blocks are sampled.
  • New Helper Function: A new helper function, get_block_location, was added to thrml/block_management.py to efficiently retrieve the global state location for a given block.
Changelog
  • thrml/block_management.py
    • Added get_block_location function to determine a block's global state index and start position.
  • thrml/block_sampling.py
    • Imported the new get_block_location helper function.
    • Moved the initialization of global_state outside the main sampling loop.
    • Implemented incremental updates to global_state using jax.lax.dynamic_update_slice after each block's state is updated.
Activity
  • PR created automatically by Jules for a task initiated by @igor-holt.
  • Correctness of the changes was verified with existing test suites (tests/test_block_sampling.py, tests/test_block_management.py).
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Code Review

This pull request introduces a nice optimization to sample_blocks by avoiding the repeated reconstruction of global_state. The change to perform an incremental update is well-implemented and the addition of the get_block_location helper function is logical.

My review includes a couple of suggestions to improve maintainability: one regarding test coverage for the new helper function, and another to improve the clarity of a variable name in the update logic. Overall, this is a solid improvement.

Comment on lines +447 to +469
def get_block_location(block: Block, spec: BlockSpec) -> tuple[int, int]:
"""
Get the global state location (sd_index, start_index) for a block.
Assumes block nodes are contiguous in global state.

**Arguments:**

- `block`: The [`thrml.Block`][] whose location is needed.
- `spec`: The [`thrml.BlockSpec`][] that defines the mapping.

**Returns:**

Tuple ``(sd_index, start_index)`` where

* *sd_index* is the position inside the global list returned by
[`thrml.block_state_to_global`][], and
* *start_index* is the starting index in the node dimension for the block.
"""
if not block.nodes:
raise ValueError("Empty block")

node = block.nodes[0]
return spec.node_global_location_map[node]

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medium

The new public function get_block_location is a great addition for this optimization. However, it currently lacks unit tests. Please consider adding tests for this function in tests/test_block_management.py to ensure its correctness and prevent future regressions. A new test method in the TestBlocks class could verify that it returns the correct sd_index and start_index for each block in the test configurations.

Comment on lines +387 to +389
def update_leaf(global_leaf, update_leaf):
start_indices = (start_ind,) + (0,) * (global_leaf.ndim - 1)
return jax.lax.dynamic_update_slice(global_leaf, update_leaf, start_indices)

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medium

In the nested function update_leaf, the second argument is also named update_leaf. This shadows the function name and can be confusing. To improve clarity, please consider renaming the argument to something more descriptive, like new_leaf_slice.

Suggested change
def update_leaf(global_leaf, update_leaf):
start_indices = (start_ind,) + (0,) * (global_leaf.ndim - 1)
return jax.lax.dynamic_update_slice(global_leaf, update_leaf, start_indices)
def update_leaf(global_leaf, new_leaf_slice):
start_indices = (start_ind,) + (0,) * (global_leaf.ndim - 1)
return jax.lax.dynamic_update_slice(global_leaf, new_leaf_slice, start_indices)

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