readme

README.md

@@ -1,3 +1,45 @@
----
-license: apache-2.0
----
+---
+license: apache-2.0
+task_categories:
+- table-question-answering
+language:
+- en
+---
+
+# CataTQA: A Benchmark for Tool-Augmented LLM Question Answering over Heterogeneous Catalysis Tables
+
+Despite their success in general question answering, large language models (LLMs) struggle with hallucinations and inaccurate reasoning in scientific domains. 
+A major challenge stems from experimental data, which are often stored in external sources like supplementary materials and domain-specific databases. These tables are large, heterogeneous, and semantically complex, making them difficult for LLMs to interpret. 
+While external tools show promise, current benchmarks fail to assess LLMs' ability to navigate this data—particularly in locating relevant tables, retrieving key columns, interpreting experimental conditions, and invoking tools.
+To address this gap, we introduce CataTQA, a new benchmark for catalytic materials. CataTQA features an automated dataset framework and four auxiliary tools. We evaluate tool-enhanced LLMs across five dimensions: table location, column retrieval, condition analysis, tool calling, and question answering, identifying their strengths and weaknesses.
+Our work sets a new benchmark for evaluating LLMs in scientific fields and paves the way for future advancements. All data and code are publicly available on GitHub.
+
+## Dataset Field Description
+
+- **question**:A table question.
+- **refer_dataset**:Generate a reference dataset of questions and answers.
+- **column names**The column name used to generate the problem.
+- **condition_column**:The column names that need to be filled in to generate the problem.
+- **answer_column**:Column name of the answer.
+- **condition**:Conditions contained in the question.
+- **answer**:Answers to questions.
+- **tool**:Tools for answering questions.
+- **level**:The level of the problem.
+- **question description**:Question type description.
+- **refer_template**:Template question.
+
+## Example
+
+{  
+    "question": "Identify the material ID linked to a total energy per atom of -4.093124536666667.",   
+    "refer_dataset": "table67",   
+    "column names": ["energy_per_atom", "material_id"],   
+    "condition_column": ["energy_per_atom"],   
+    "answer_column": ["material_id"],   
+    "condition": {"energy_per_atom": "-4.093124536666667"},   
+    "tool": "search_value",   
+    "answer": {"material_id": "2dm-6"},   
+    "level": "simple",   
+    "question description":"In a tabular data structure, locate the cells that meet the requirements.",   
+    "refer_template": "Identify the material ID linked to a total energy per atom of {}."  
+}