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Formalize DSE Trajectory - #969

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alexmanle:amanl/trajectory-data-structure
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Formalize DSE Trajectory#969
alexmanle wants to merge 20 commits into
NVIDIA:mainfrom
alexmanle:amanl/trajectory-data-structure

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@alexmanle

@alexmanle alexmanle commented Jul 14, 2026

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Summary

Introduces a pandas-native Trajectory for storing, analyzing, caching, and persisting DSE trial data.

Each trajectory is maintained internally as a single flat DataFrame. Persistence is split between:

  • trajectory.csv for the released core format: step, action, reward, and observation
  • metadata.csv for optional extension data such as environment parameters and logging metrics

This removes the previous entry/component, identity metadata, and writer abstractions while preserving compatibility with existing CloudAI reporting.

Features

Initialize a trajectory with an iteration directory:

trajectory = Trajectory(iteration_dir=iteration_dir)

An existing DataFrame can optionally provide an in-memory warm start:

trajectory = Trajectory(
    iteration_dir=iteration_dir,
    dataframe=existing_dataframe,
)

Append a completed trial using named domains:

row = trajectory.append(
    step=1,
    action={"batch_size": 32},
    reward=0.95,
    observation={"throughput": 120.0},
    env_params={"network_speed": 100},
)

Internally, nested mappings are recursively flattened into pandas-friendly columns:

step
action.batch_size
reward
observation.throughput
env_params.network_speed

Core trial data is persisted to trajectory.csv using the released CloudAI layout:

step,action,reward,observation

Extension data is persisted separately to a step-aligned metadata.csv:

step,env_params.network_speed

metadata.csv is created only when extension data is present.

Search for cached trials using any subset of stored domains:

cached = trajectory.find(
    action={"batch_size": 32},
    env_params={"network_speed": 100},
)

Both append() and find() return copied pandas Series objects. The complete in-memory trajectory is available as a copied DataFrame:

df = trajectory.dataframe
best = df.loc[df["reward"].idxmax()]

CloudAIGym keeps observations as metric-name mappings internally and passes them directly to the trajectory. Observations are converted to ordered lists only at the Gym interface and persistence boundaries.

DSE reporting continues to read the released serialized trajectory.csv format.

Test Plan

Validated locally with:

uv run --locked --python 3.14 --extra dev python -m pytest
uv run --locked --python 3.14 --extra dev python -m pytest --dead-fixtures
uv run --locked pre-commit run --all-files
git diff --check

Also tested with CloudAI internal agents and real CloudAI DSE workflows.

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📝 Walkthrough

Walkthrough

Changes

The PR adds typed trajectory storage with CSV and JSONL persistence, integrates it into environment and DSE execution, and updates reporting to load JSONL trajectories with CSV fallback. Tests cover trajectory behavior, caching, environment parameters, persistence, and reporting.

Trajectory integration

Layer / File(s) Summary
Typed trajectory model and persistence
src/cloudai/configurator/trajectory.py, tests/test_trajectory.py
Adds typed entries, component schemas, CSV/JSONL writers, ordered appends, exact cache lookup, and comprehensive tests.
Environment trajectory execution and caching
src/cloudai/configurator/cloudai_gym.py, src/cloudai/configurator/env_params.py, src/cloudai/configurator/__init__.py, src/cloudai/models/workload.py, src/cloudai/systems/slurm/single_sbatch_runner.py, src/cloudai/cli/handlers.py, src/cloudai/configurator/base_agent.py, tests/test_cloudaigym.py, tests/test_env_params.py, tests/test_gymnasium_adapter_contract.py
Routes cached and executed results through Trajectory, records optional environment parameters in trajectory output, configures trajectory file types, updates exports, and removes the separate environment-parameter CSV writer.
Trajectory loading and DSE reporting
src/cloudai/report_generator/dse_report.py, src/cloudai/reporter.py, tests/test_reporter.py, tests/test_single_sbatch_runner.py
Loads JSONL trajectories preferentially, falls back to CSV, and uses the shared loader in DSE reporting.

Estimated code review effort: 4 (Complex) | ~60 minutes

Suggested reviewers: srivatsankrishnan, podkidyshev, jeffnvidia

🚥 Pre-merge checks | ✅ 4
✅ Passed checks (4 passed)
Check name Status Explanation
Linked Issues check ✅ Passed Check skipped because no linked issues were found for this pull request.
Out of Scope Changes check ✅ Passed Check skipped because no linked issues were found for this pull request.
Title check ✅ Passed The title matches the core change: formalizing DSE trajectory handling and persistence.
Description check ✅ Passed The description is about DSE trajectory storage and persistence, so it is broadly related to the changeset.
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@alexmanle
alexmanle marked this pull request as ready for review July 14, 2026 22:12

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Actionable comments posted: 5

🤖 Prompt for all review comments with AI agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

Inline comments:
In `@src/cloudai/configurator/trajectory.py`:
- Around line 32-55: Make the identity-bearing data in
EnvParamsSample.env_params and TrialResult.action structurally immutable, not
only field-reassignment immutable, so values returned through
TrajectoryEntry.get() cannot alter cache matching. Deep-freeze nested mappings
and sequences when constructing or storing these components, or maintain a
private immutable canonical key used by find(); ensure persisted records and
future find() calls use that stable identity.
- Around line 104-118: Update TrajectoryWriter.append to inspect an existing
trajectory.csv header before accepting the first record schema: compare any
non-empty header with self._fields and raise ValueError on mismatch, while
allowing a pre-created empty file to be initialized with the header. Ensure
subsequent appends continue enforcing the established field order and do not
write duplicate headers.

In `@src/cloudai/systems/slurm/single_sbatch_runner.py`:
- Around line 208-225: Update unroll_dse in SingleSbatchRunner to support
declared tr.test.env_params by sampling an EnvParamsSample for each trial,
applying those same values to the execution test run and gym trajectory append.
Ensure the sampled environment parameters are passed wherever CloudAIGymEnv
requires them, and add an integration test covering DSE actions with environment
parameters.

In `@tests/test_cloudaigym.py`:
- Line 717: Suppress Ruff’s S311 finding for the deterministic Random usage in
the expected_sample setup, using the repository’s standard inline suppression
syntax and keeping the test’s deterministic behavior unchanged.

In `@tests/test_reporter.py`:
- Around line 50-59: Update test_load_trajectory_dataframe_prefers_json_lines to
also create a conflicting trajectory.csv in tmp_path with different data before
calling load_trajectory_dataframe. Keep the existing JSONL assertions and verify
the returned path and records still come from trajectory.jsonl, proving JSONL
takes precedence over CSV.
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📒 Files selected for processing (13)
  • src/cloudai/configurator/__init__.py
  • src/cloudai/configurator/cloudai_gym.py
  • src/cloudai/configurator/env_params.py
  • src/cloudai/configurator/trajectory.py
  • src/cloudai/models/workload.py
  • src/cloudai/report_generator/dse_report.py
  • src/cloudai/reporter.py
  • src/cloudai/systems/slurm/single_sbatch_runner.py
  • tests/test_cloudaigym.py
  • tests/test_env_params.py
  • tests/test_gymnasium_adapter_contract.py
  • tests/test_reporter.py
  • tests/test_trajectory.py
💤 Files with no reviewable changes (2)
  • src/cloudai/configurator/env_params.py
  • tests/test_env_params.py

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Actionable comments posted: 2

🤖 Prompt for all review comments with AI agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

Inline comments:
In `@src/cloudai/configurator/trajectory.py`:
- Around line 258-264: The trajectory entry storage used by find() must snapshot
identity-contributing component state instead of comparing live mutable
instances. Update the append/store path and _identity_for handling so every
component with contributes_to_identity=True is frozen or represented by a
private immutable canonical key, while preserving existing identity matching for
persisted entries.

In `@src/cloudai/systems/slurm/single_sbatch_runner.py`:
- Around line 217-233: Apply the same constraint_check used by unroll_dse() in
the combination loop before creating the trial observation, computing reward, or
appending trajectory data; skip rejected combinations so only submitted runs are
recorded. Add a regression test covering a constraint-rejected DSE combination
and verifying it is absent from trajectory output and reports.
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📒 Files selected for processing (6)
  • src/cloudai/configurator/trajectory.py
  • src/cloudai/systems/slurm/single_sbatch_runner.py
  • tests/test_cloudaigym.py
  • tests/test_reporter.py
  • tests/test_single_sbatch_runner.py
  • tests/test_trajectory.py

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Actionable comments posted: 1

🤖 Prompt for all review comments with AI agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

Inline comments:
In `@src/cloudai/configurator/trajectory.py`:
- Around line 352-356: Update _validate_components to reject any component
dataclass with contributes_to_identity=True unless its dataclass definition is
frozen. Preserve existing validation for non-dataclass components and duplicate
types, and raise a clear TypeError identifying the offending component.
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📒 Files selected for processing (3)
  • src/cloudai/configurator/trajectory.py
  • src/cloudai/systems/slurm/single_sbatch_runner.py
  • tests/test_trajectory.py

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Actionable comments posted: 1

Caution

Some comments are outside the diff and can’t be posted inline due to platform limitations.

⚠️ Outside diff range comments (1)
src/cloudai/configurator/trajectory.py (1)

43-53: 🗄️ Data Integrity & Integration | 🟠 Major | ⚡ Quick win

Snapshot the observation payload before storing it.

TrialResult freezes action but leaves observation caller-owned. A mutable list can be changed after _store_entry() persists the row, causing cache hits to return observations that differ from the persisted trajectory. Freeze or deep-copy the observation as well.

Proposed fix
     def __post_init__(self) -> None:
         """Own an immutable snapshot of the action."""
         object.__setattr__(self, "action", _freeze(self.action))
+        object.__setattr__(self, "observation", _freeze(self.observation))
🤖 Prompt for AI Agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

In `@src/cloudai/configurator/trajectory.py` around lines 43 - 53, Update
TrialResult.__post_init__ to snapshot observation before storing it, using the
existing _freeze helper or an equivalent deep-copy mechanism. Preserve the
observation’s sequence semantics while ensuring later caller mutations cannot
alter the stored trajectory or cached results.
🤖 Prompt for all review comments with AI agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

Inline comments:
In `@src/cloudai/configurator/base_agent.py`:
- Line 52: Update the Slurm DSE environment construction in
single_sbatch_runner.py, where CloudAIGymEnv is instantiated, to pass through
the configured trajectory_file_type alongside rewards. Preserve the selected
value, including "jsonl", instead of allowing the environment default of "csv"
to apply.

---

Outside diff comments:
In `@src/cloudai/configurator/trajectory.py`:
- Around line 43-53: Update TrialResult.__post_init__ to snapshot observation
before storing it, using the existing _freeze helper or an equivalent deep-copy
mechanism. Preserve the observation’s sequence semantics while ensuring later
caller mutations cannot alter the stored trajectory or cached results.
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  • Push a commit to this branch (recommended)
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📒 Files selected for processing (3)
  • src/cloudai/cli/handlers.py
  • src/cloudai/configurator/base_agent.py
  • src/cloudai/configurator/trajectory.py

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@podkidyshev

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Despite the implementation is technically correct, I find it too complicated for the goal it achieves (apparently the PR summary misses the business goal!)

As far as I could understand, the goal is to make the trajectory a better container:

  1. store any data (per step)
  2. derive insights from the data

My alternative suggestion for 2. would be to use the standard thing in data analysis - pandas with its dataframes. As long as we provide something that could be fed to pd.read_csv or pd.read_json - we solve the point 2.

For the point 1. - our container should be just columnar flat data. So for any additional data that we'd like to populate into trajectory, we could use format <domain>.<data point key>, e.g. env_params.some_param

what do you think?

Comment thread src/cloudai/configurator/trajectory.py Outdated
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Comment thread src/cloudai/configurator/trajectory.py Outdated
@alexmanle

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Despite the implementation is technically correct, I find it too complicated for the goal it achieves (apparently the PR summary misses the business goal!)

As far as I could understand, the goal is to make the trajectory a better container:

  1. store any data (per step)
  2. derive insights from the data

My alternative suggestion for 2. would be to use the standard thing in data analysis - pandas with its dataframes. As long as we provide something that could be fed to pd.read_csv or pd.read_json - we solve the point 2.

For the point 1. - our container should be just columnar flat data. So for any additional data that we'd like to populate into trajectory, we could use format <domain>.<data point key>, e.g. env_params.some_param

what do you think?

@podkidyshev I agree actually that this solution is to much for the problem. I think as long as it's easy to append new data and search elements (for caching) your proposed alternative is great with me!

@alexmanle
alexmanle marked this pull request as draft July 21, 2026 20:23
Comment thread src/cloudai/configurator/cloudai_gym.py Outdated
Comment thread src/cloudai/configurator/trajectory.py Outdated
Comment thread src/cloudai/systems/slurm/single_sbatch_runner.py
@podkidyshev

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@alexmanle this look far better to me! I really like the new trajectory file look

please make sure to thoroughly test these changes, including single-sbatch and reporter 🙏 potentially also let other team members be aware of it.

@alexmanle alexmanle changed the title Implement Agent Trajectory as a formal data structure. Formalize DSE Trajectory Jul 23, 2026
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