search

deepmodeling / dpgen2

2nd generation of the Deep Potential GENerator
https://docs.deepmodeling.com/projects/dpgen2/
GNU Lesser General Public License v3.0
33 stars 26 forks source link

Support valid data for multitask training #257

Closed zjgemi closed 2 months ago

zjgemi commented 3 months ago

Summary by CodeRabbit

coderabbitai[bot] commented 3 months ago
Walkthrough ## Walkthrough The changes introduce new arguments and modify existing functions to enhance support for multitask validation data. The `input_args` function accommodates multitask configurations, while the `workflow_concurrent_learning` function has been adjusted to process validation data more flexibly. Additionally, enhancements have been made to model freezing logic in the `run_relax.py` file, and new configuration parameters have been integrated into relevant functions. ## Changes | File | Change Summary | |-------------------------------------------|------------------------------------------------------------------------------------------------------------| | `dpgen2/entrypoint/args.py` | Added `multi_valid_data` and `multi_valid_data_uri` arguments to `input_args` for multitask validation. | | `dpgen2/entrypoint/submit.py` | Modified `workflow_concurrent_learning` to handle multitask validation data with new conditional checks. | | `dpgen2/op/run_dp_train.py` | Changed `valid_data` type in `get_input_sign` to `NestedDict` and modified `write_data_to_input_script` to accept both lists and dictionaries. | | `dpgen2/op/run_relax.py` | Enhanced `execute` function to handle model freezing based on new `expl_config` parameter. | | `dpgen2/op/run_lmp.py` | Refactored model freezing logic into a new `freeze_model` function and renamed argument in `lmp_args`. | | `dpgen2/superop/prep_run_diffcsp.py` | Added `expl_config` parameter to `_prep_run_diffcsp` function for enhanced configurability. | | `tests/op/test_run_relax.py` | Added `expl_config` key with an empty dictionary in `testRunRelax` method for configuration options. |

[!TIP] We have updated our review workflow to use the Anthropic's Claude family of models. Please share any feedback in the discussion post on our Discord.

Recent review details **Configuration used: CodeRabbit UI** **Review profile: CHILL**
Commits Files that changed from the base of the PR and between ea87d06feeb670d63402cefa59016b4e5cfcd934 and 16c30d6a262131a91d2289252b23558fc46f02f0.
Files selected for processing (1) * dpgen2/op/run_relax.py (6 hunks)
Additional context used
Ruff
dpgen2/op/run_relax.py
1-1: `logging` imported but unused Remove unused import: `logging` (F401) --- 212-212: Do not use mutable data structures for argument defaults Replace with `None`; initialize within function (B006)
Additional comments not posted (1)
dpgen2/op/run_relax.py (1)
`42-42`: **Approve the addition of the `expl_config` parameter.** The addition of the `expl_config` parameter to the `get_input_sign` method is consistent with the PR objectives and is used in the `execute` function.
--- Thank you for using CodeRabbit. We offer it for free to the OSS community and would appreciate your support in helping us grow. If you find it useful, would you consider giving us a shout-out on your favorite social media?
Share - [X](https://twitter.com/intent/tweet?text=I%20just%20used%20%40coderabbitai%20for%20my%20code%20review%2C%20and%20it%27s%20fantastic%21%20It%27s%20free%20for%20OSS%20and%20offers%20a%20free%20trial%20for%20the%20proprietary%20code.%20Check%20it%20out%3A&url=https%3A//coderabbit.ai) - [Mastodon](https://mastodon.social/share?text=I%20just%20used%20%40coderabbitai%20for%20my%20code%20review%2C%20and%20it%27s%20fantastic%21%20It%27s%20free%20for%20OSS%20and%20offers%20a%20free%20trial%20for%20the%20proprietary%20code.%20Check%20it%20out%3A%20https%3A%2F%2Fcoderabbit.ai) - [Reddit](https://www.reddit.com/submit?title=Great%20tool%20for%20code%20review%20-%20CodeRabbit&text=I%20just%20used%20CodeRabbit%20for%20my%20code%20review%2C%20and%20it%27s%20fantastic%21%20It%27s%20free%20for%20OSS%20and%20offers%20a%20free%20trial%20for%20proprietary%20code.%20Check%20it%20out%3A%20https%3A//coderabbit.ai) - [LinkedIn](https://www.linkedin.com/sharing/share-offsite/?url=https%3A%2F%2Fcoderabbit.ai&mini=true&title=Great%20tool%20for%20code%20review%20-%20CodeRabbit&summary=I%20just%20used%20CodeRabbit%20for%20my%20code%20review%2C%20and%20it%27s%20fantastic%21%20It%27s%20free%20for%20OSS%20and%20offers%20a%20free%20trial%20for%20proprietary%20code)
Tips ### Chat There are 3 ways to chat with [CodeRabbit](https://coderabbit.ai): - Review comments: Directly reply to a review comment made by CodeRabbit. Example: - `I pushed a fix in commit .` - `Generate unit testing code for this file.` - `Open a follow-up GitHub issue for this discussion.` - Files and specific lines of code (under the "Files changed" tab): Tag `@coderabbitai` in a new review comment at the desired location with your query. Examples: - `@coderabbitai generate unit testing code for this file.` - `@coderabbitai modularize this function.` - PR comments: Tag `@coderabbitai` in a new PR comment to ask questions about the PR branch. For the best results, please provide a very specific query, as very limited context is provided in this mode. Examples: - `@coderabbitai generate interesting stats about this repository and render them as a table.` - `@coderabbitai show all the console.log statements in this repository.` - `@coderabbitai read src/utils.ts and generate unit testing code.` - `@coderabbitai read the files in the src/scheduler package and generate a class diagram using mermaid and a README in the markdown format.` - `@coderabbitai help me debug CodeRabbit configuration file.` Note: Be mindful of the bot's finite context window. It's strongly recommended to break down tasks such as reading entire modules into smaller chunks. For a focused discussion, use review comments to chat about specific files and their changes, instead of using the PR comments. ### CodeRabbit Commands (Invoked using PR comments) - `@coderabbitai pause` to pause the reviews on a PR. - `@coderabbitai resume` to resume the paused reviews. - `@coderabbitai review` to trigger an incremental review. This is useful when automatic reviews are disabled for the repository. - `@coderabbitai full review` to do a full review from scratch and review all the files again. - `@coderabbitai summary` to regenerate the summary of the PR. - `@coderabbitai resolve` resolve all the CodeRabbit review comments. - `@coderabbitai configuration` to show the current CodeRabbit configuration for the repository. - `@coderabbitai help` to get help. ### Other keywords and placeholders - Add `@coderabbitai ignore` anywhere in the PR description to prevent this PR from being reviewed. - Add `@coderabbitai summary` to generate the high-level summary at a specific location in the PR description. - Add `@coderabbitai` anywhere in the PR title to generate the title automatically. ### CodeRabbit Configuration File (`.coderabbit.yaml`) - You can programmatically configure CodeRabbit by adding a `.coderabbit.yaml` file to the root of your repository. - Please see the [configuration documentation](https://docs.coderabbit.ai/guides/configure-coderabbit) for more information. - If your editor has YAML language server enabled, you can add the path at the top of this file to enable auto-completion and validation: `# yaml-language-server: $schema=https://coderabbit.ai/integrations/schema.v2.json` ### Documentation and Community - Visit our [Documentation](https://coderabbit.ai/docs) for detailed information on how to use CodeRabbit. - Join our [Discord Community](https://discord.com/invite/GsXnASn26c) to get help, request features, and share feedback. - Follow us on [X/Twitter](https://twitter.com/coderabbitai) for updates and announcements.
codecov[bot] commented 3 months ago

Codecov Report

Attention: Patch coverage is 43.75000% with 36 lines in your changes missing coverage. Please review.

Project coverage is 83.75%. Comparing base (643e889) to head (16c30d6). Report is 1 commits behind head on master.

Files with missing lines Patch % Lines
dpgen2/entrypoint/submit.py 23.80% 16 Missing :warning:
dpgen2/op/run_lmp.py 10.00% 9 Missing :warning:
dpgen2/op/run_relax.py 75.00% 6 Missing :warning:
dpgen2/op/run_dp_train.py 28.57% 5 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #257 +/- ## ========================================== - Coverage 84.00% 83.75% -0.26% ========================================== Files 103 103 Lines 5759 5805 +46 ========================================== + Hits 4838 4862 +24 - Misses 921 943 +22 ```

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.