[Fix]: Create new DataModule instance for each optimization trial

.github/PULL_REQUEST_TEMPLATE.md

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+## Description
+
+<!-- Briefly describe what this PR does -->
+
+## Related Issues
+
+<!-- Link related issues using keywords: "Fixes #123" or "Related to #456" -->
+
+## Type of Change
+
+<!-- Mark the applicable option with [x] -->
+
+- [ ] `[Fix]` - Bug fix (non-breaking change fixing an issue)
+- [ ] `[Feature]` - New feature (non-breaking change adding functionality)
+- [ ] `[Refactor]` - Code refactoring (no functional changes)
+- [ ] `[Release]` - Release preparation
+- [ ] `[Hotfix]` - Critical fix for production
+
+## How was this solved?
+
+<!-- Explain your approach to solving the issue -->
+
+## Checklist
+
+- [ ] PR title includes appropriate tag: `[Fix]`, `[Feature]`, `[Refactor]`, `[Release]`, or `[Hotfix]`
+- [ ] Linked to related issue (if applicable)
+- [ ] Code passes `make check` (lint, format, isort)
+- [ ] Tests added/updated for changes (if applicable)
+- [ ] Documentation updated (if applicable)
+
+## Testing
+
+<!-- How can reviewers verify this change works? -->
+
+## Additional Notes
+
+<!-- Any additional context, screenshots, or considerations -->

.github/auto-label-config.yml

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+# =============================================================================
+# Auto-Label Configuration
+# =============================================================================
+#
+# Used by: auto-label-prs.yml
+#
+# OUTPUT:
+#   PRs get labels based on:
+#   - Title prefix: [Fix] → "Fix" label
+#   - Changed files: docs/** → "documentation" label
+#   - Branch name: dependabot/* → "dependencies" label
+#
+# =============================================================================
+
+autolabeler:
+  - label: 'documentation'
+    files:
+      - 'docs/**/*'
+      - '*.md'
+    branch:
+      - '/docs?\/.+/'
+  - label: 'Fix'
+    title:
+      - '/^\[Fix\]/i'
+  - label: 'Feature'
+    title:
+      - '/^\[Feature\]/i'
+  - label: 'Refactor'
+    title:
+      - '/^\[Refactor\]/i'
+  - label: 'Release'
+    title:
+      - '/^\[Release\]/i'
+  - label: 'Hotfix'
+    title:
+      - '/^\[Hotfix\]/i'
+  - label: 'dependencies'
+    files:
+      - 'pyproject.toml'
+    branch:
+      - '/dependabot\/.+/'

.github/draft-changelog-config.yml

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+# =============================================================================
+# Draft Changelog Configuration
+# =============================================================================
+#
+# Used by: draft-changelog.yml
+#
+# OUTPUT:
+#   A draft release in GitHub Releases containing:
+#   - Title: v5.1.0 (based on version-resolver)
+#   - Body: Grouped list of PRs (based on categories)
+#
+# =============================================================================
+
+name-template: 'v$RESOLVED_VERSION'
+tag-template: 'v$RESOLVED_VERSION'
+
+template: |
+  ## What's Changed
+
+  $CHANGES
+
+  **Full Changelog**: https://github.com/$OWNER/$REPOSITORY/compare/$PREVIOUS_TAG...v$RESOLVED_VERSION
+
+categories:
+  - title: 'New Features'
+    labels:
+      - 'Feature'
+      - 'enhancement'
+  - title: 'Bug Fixes'
+    labels:
+      - 'Fix'
+      - 'bug'
+      - 'Hotfix'
+  - title: 'Refactoring'
+    labels:
+      - 'Refactor'
+      - 'refactoring'
+  - title: 'Documentation'
+    labels:
+      - 'documentation'
+      - 'docs'
+  - title: 'Maintenance'
+    labels:
+      - 'maintenance'
+      - 'dependencies'
+      - 'Release'
+
+version-resolver:
+  major:
+    labels:
+      - 'major'
+      - 'breaking'
+  minor:
+    labels:
+      - 'minor'
+      - 'Feature'
+  patch:
+    labels:
+      - 'patch'
+      - 'Fix'
+      - 'Hotfix'
+  default: patch
+
+exclude-labels:
+  - 'skip-changelog'
+  - 'duplicate'
+  - 'invalid'

.github/workflows/auto-label-prs.yml

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+# =============================================================================
+# Auto-Label PRs
+# =============================================================================
+#
+# TRIGGER:
+#   When a PR is opened or updated
+#
+# OUTPUT:
+#   PR gets a label based on its title prefix:
+#   - [Fix] → "Fix" label
+#   - [Feature] → "Feature" label
+#   - [Refactor] → "Refactor" label
+#   - etc.
+#
+# =============================================================================
+
+name: Auto-Label PRs
+
+on:
+  pull_request:
+    types: [opened, reopened, synchronize]
+
+permissions:
+  contents: read
+  pull-requests: write
+
+jobs:
+  add_labels:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: release-drafter/release-drafter@v6
+        with:
+          config-name: auto-label-config.yml
+        env:
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}

.github/workflows/docs.yml

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+name: Documentation
+
+on:
+  push:
+    branches:
+      - main
+      - dev
+    paths:
+      - 'docs/**'
+      - 'src/**'
+      - '.github/workflows/docs.yml'
+  pull_request:
+    branches:
+      - main
+      - dev
+    paths:
+      - 'docs/**'
+      - 'src/**'
+      - '.github/workflows/docs.yml'
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+jobs:
+  test-snippets:
+    name: test-doc-snippets
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ['3.10', '3.11', '3.12']
+      fail-fast: false
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v5
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install dependencies
+        run: |
+          python -m pip install --no-cache-dir --upgrade pip
+          python -m pip install --no-cache-dir -e ".[all_extras,test]"
+          python -m pip install --no-cache-dir -r docs/requirements.txt
+
+      - name: Show dependencies
+        run: python -m pip list
+
+      - name: Test documentation snippets
+        run: |
+          python -m pytest docs/tests/test_doc_snippets.py -v --tb=short
+
+  build-docs:
+    name: build-docs
+    runs-on: ubuntu-latest
+    needs: test-snippets
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: '3.12'
+
+      - name: Install dependencies
+        run: |
+          python -m pip install --no-cache-dir --upgrade pip
+          python -m pip install --no-cache-dir -e ".[all_extras]"
+          python -m pip install --no-cache-dir -r docs/requirements.txt
+
+      - name: Show dependencies
+        run: python -m pip list
+
+      - name: Build documentation
+        run: |
+          cd docs && sphinx-build -b html source build/html -W --keep-going
+
+      - name: Run doctest
+        run: |
+          cd docs && sphinx-build -b doctest source build/doctest || true
+
+      - name: Upload documentation artifact
+        uses: actions/upload-artifact@v4
+        with:
+          name: docs-html
+          path: docs/build/html/
+          retention-days: 7

.github/workflows/draft-changelog.yml

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+# =============================================================================
+# Draft Changelog
+# =============================================================================
+#
+# TRIGGER:
+#   When code is merged/pushed to main
+#
+# OUTPUT:
+#   A draft release in GitHub Releases section containing:
+#   - Grouped list of merged PRs (Features, Bug Fixes, etc.)
+#   - Suggested next version number
+#
+# DOES NOT:
+#   - Publish the release (you must click "Publish" manually)
+#   - Create git tags
+#   - Upload to PyPI
+#
+# =============================================================================
+
+name: Draft Changelog
+
+on:
+  push:
+    branches:
+      - main
+
+permissions:
+  contents: read
+  pull-requests: write
+
+jobs:
+  update_draft:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: release-drafter/release-drafter@v6
+        with:
+          config-name: draft-changelog-config.yml
+        env:
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}