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New
value_error_thresholdsparameter added to bothevaluate_semantic()andevaluate_agentic()for range-based absolute error tolerances on numeric property value comparisons:-
Accepts a dict mapping
(min, max)tuples to absolute error thresholds. When a ground-truth value falls inside a range, the extracted value is accepted if|extracted - ground_truth| ≤ threshold. Values outside all configured ranges fall back to exact comparison. -
Semantic evaluation: handled inside
_is_value_in_range()via the new_get_error_threshold()helper inMaterialsDataSemanticEvaluator. -
Agentic evaluation: a new
GetValueErrorThresholdTool(CrewAIBaseTool) is added to the composition evaluator agent when thresholds are configured. The agent calls this tool with the reference value to retrieve the tolerance before deciding on each numeric match. No tool is added and no prompt changes are made when no thresholds are provided.
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Exposed
value_error_thresholdsin public evaluation methods:ComProScanner.evaluate_semantic(),ComProScanner.evaluate_agentic(),comproscanner.evaluate_semantic(), andcomproscanner.evaluate_agentic(). -
VLM-based graph data extraction added across all publishers and PDF processors:
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New
GraphExtractorTool— a CrewAI agent tool that reads saved figures for a given DOI and uses a vision LLM to extract composition-property value pairs from graphs and charts. Default VLM:gemini/gemini-3-flash-preview. -
New
FigureExtractorutility — shared helper for caption keyword-based figure filtering and saving, used by all article processors. -
New
caption_keywordsparameter inprocess_articles()andextract_composition_property_data(), and newvlm_modelandrelated_figures_base_pathparameters inextract_composition_property_data().
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New unit tests added for all three agent tools in
tests/test_agent_tools/.
process_articles()now routes user-provideddoi_listbygeneral_publisherfrom metadata and sends each DOI only to its matching source processor.
- Updated README.md, CITATION.cff and docs with the published version (advance article) of the ComProScanner paper in Digital Discovery as fully open access:
- Guide for API key creation for various LLM providers and publisher APIs added to the documentation at
docs/getting-started/api-key-guide.mdwith detailed instructions for each provider.
- Model prefix handling in
rag_tool.pystandardized to reflect the docs. HF_TOKENdocumentation clarified as optional — only required for gated or private Hugging Face models.
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Data related to comparison with other agentic data extraction frameworks added for the ComProScanner paper in the
examples/piezo_test/comparing_existing_frameworksfolder. -
New parameter
apply_advanced_cleaningadded to data cleaning methods indata_cleaner.py. When set toTrue, it triggers the advanced cleaning pipeline. -
Advanced composition cleaning methods in
data_cleaner.py:_remove_miller_indices()- Removes crystal plane notations from chemical formulas_remove_zero_coefficient_elements()- Removes elements with zero coefficients_normalize_coefficients()- Removes trailing zeros from coefficients_expand_leading_and_trailing_coefficients()- Expands leading/trailing coefficient patterns_expand_parenthetical_coefficients()- Expands nested bracket coefficients
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Enhanced documentation in
docs/usage/data-cleaning.md:- Added
apply_advanced_cleaningparameter documentation - Added Mermaid process flow diagram showing cleaning stages
- Added advanced cleaning examples with tables for each transformation type
- Added
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Template for GitHub issues added to .github/ISSUE_TEMPLATE for the following topics:
- bug reports
- feature requests
- documentation improvements
- support questions
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Changelog page added in the documentation. Also, CHANGELOG.md linked in README.md.
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DeepWiki integration badge added to README.md for community Q&A support:
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arXiv preprint badge added to README.md:
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CITATION.cff added for standardized citation information based on the latest release and arXiv preprint.
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OAWorks API is replaced with OpenAlex API as OAWorks is no longer available.
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Empty/corrupted PDF handled in
pdf_processor.pyandwiley_processor.pyto avoid having GLYPH errors during text extraction. -
Data extraction failures fixed if composition-property text data is empty.
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CSV progress tracking in
elsevier_processor.py:- DtypeWarning resolved by adding
dtype=str, low_memory=Falsetopd.read_csv() - Data loss issue fixed with immediate CSV persistence for processed articles
- Sleep delays optimized for batch writes
- DtypeWarning resolved by adding
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Type annotation warnings in documentation build (griffe/mkdocstrings):
- Added return type annotations to function signatures in
comproscanner.py - Added return type annotations to all visualization functions in
data_visualizer.pyandeval_visualizer.py - Fixed parameter type format in docstrings from colon to comma notation
- Added
TYPE_CHECKINGconditional imports for matplotlib Figure type - Fixed
**kwargstype annotations across multiple modules
- Added return type annotations to function signatures in
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Numbered list formatting in
docs/about/contribution.md:- Fixed list continuation by using 4-space indentation for code blocks and nested lists
- Disabled format on save for Markdown files in
.vscode/settings.json
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GitHub Actions CI disk space issue:
- Added
--no-cache-dirflag to pip install to reduce disk usage
- Added
- README badges section converted from HTML to markdown format for better compatibility across platforms.
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New function
clean_data()added for improved data cleaning and preprocessing instead of integrating it into data extraction function. -
New documentation page for Data Cleaning added:
- docs/usage/data-cleaning.md
- Added to mkdocs.yml navigation.
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New API overview documentation page added:
- docs/api.md
- Added to mkdocs.yml navigation.
- New mkdocstrings configuration added to mkdocs.yml for automatic API documentation generation.
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New tests added for remaining utils functions.
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Added pytest coverage tracking (50%) using
pytest-covand coverage report generation using codecov.
- Tests updated to reflect changes in data cleaning process.
- Arguments related to data cleaning removed from data extraction function.
- README images updated with raw GitHub links for better reliability:
- RecursiveCharacterTextSplitter importing updated for latest langchain version to avoid import errors:
- Changed from
from langchain.text_splitter import RecursiveCharacterTextSplitter - To
from langchain.text_splitter.recursive_character import RecursiveCharacterTextSplitter
- Changed from
- Link to ComProScanner preprint on arXiv in the documentation index page and README.md:
- README images updated with external image link to fix PyPI rendering issue.
- Initial release of ComProScanner.