From Weak Task Specifications to Scientific Extraction Agents: Optimizing Task Construction

A well-designed extraction schema is not necessarily ready for reliable LLM execution. When only limited verified extractions are available, manually tuning hundreds of field definitions through trial and error is costly. We frame this problem as few-instance schema calibration: adapting the operational semantics of an existing schema from a few annotated documents while preserving its structural contract. We introduce CPSE, a contract-preserving semantic extraction framework that jointly calibrates extraction prompts and field-level semantic descriptions from a few gold annotations. CPSE decomposes the schema into an invariant structural contract and mutable field semantics, and further separates identity discovery from record completion using manifest-conditioned resolution. On expert-annotated polymer-science documents, CPSE improves extraction by 9.93 points over an execution-matched baseline, with consistent gains under an independent judge and in a blinded expert audit. These results show that CPSE enables low-resource schema execution while preserving the output structure required downstream.

Autonomous scientific research agents are increasingly applied to end-to-end scientific workflows, including literature review, data analysis, experimentation, and report generation. However, open-ended research tasks often do not clearly specify the analyses, methods, and success criteria required to complete the task. As a result, agents may miss important analyses, use inappropriate methods, or draw conclusions that are insufficiently supported by evidence. To address the problem, we present AutoSciRub, an evaluation-first framework that induces a task-specific executable rubric before research execution, and uses it to guide execution, criterion-level verification as well as iterative revision. AutoSciRub decomposes an underspecified instruction into atomic scientific goals, grounds them in relevant literature and task-visible data, and synthesizes specific, actionable, and verifiable criteria. The resulting rubric makes implicit experimental and evidential requirements explicit, providing guidance for experiments and analyses. During revision, rubric-guided verification identifies unmet criteria and enables targeted refinement of the research report and its supporting artifacts. On ResearchClawBench, AutoSciRub consistently improves all tested configurations, with an average gain of 2.08 points across three backbone LLMs under the fixed Codex harness and 2.95 points across three agent harnesses using a fixed DeepSeek-V4-Flash backbone. On a randomly sampled 20-task subset of AstaBench E2E Discovery, AutoSciRub further achieves an average improvement of 16.8 points across three agent harnesses, while maintaining or increasing the number of successfully completed tasks. These results demonstrate that evaluation-first guidance provides an effective and generalizable control mechanism for autonomous scientific research (Code: https://github.com/zjunlp/AutoSciRub).

Enterprise workflows increasingly rely on agents for \emph{schema-guided extraction}: given a document and a user-defined schema, the agent faithfully follows the schema to produce the correct output with source evidence as grounding metadata. We present ExtractBench, a benchmark for schema-guided extraction and, to our knowledge, the first to score value accuracy, record completeness at scale, grounding, and measured cost together. The evaluation system contains 4,869 pages across 370 enterprise documents, 8 business domains, and 67 document types, with clear tags differentiating their challenge scenarios. The scalable schema and ground-truth curation pipeline combines independent-system agreement for real documents, known values for synthetic lists, and human verification for forms. We report order-insensitive value F1 for value accuracy, plus two grounding metrics for source traceability: word- and page-level F1. Commercial VLMs perform well on short documents but often truncate record lists on long ones, while coding agents retain higher accuracy at much higher cost. LlamaExtract Agentic Plus ranks first on all three metrics, with accuracy comparable to coding agents at a fraction of the cost. Dataset and evaluation code are available on \href{https://huggingface.co/datasets/llamaindex/ExtractBench}{HuggingFace} and \href{https://github.com/run-llama/ExtractBench}{GitHub}.