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Expert-level protocol translation for self-driving labs

NeurIPS 2024 · Large language models › Agents, code and math · approach: LLMs for scientific discovery · 1 citations (OpenAlex)

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Proposes a human-free three-stage framework that turns natural-language experimental protocols into protocol dependence graphs (syntax, semantics, execution levels) for self-driving labs, evaluated against human experts on 75 protocols.

Problem

Translating human-oriented experimental protocols into machine-executable, structured, complete, and execution-safe representations for self-driving laboratories currently requires labor-intensive manual work by domain experts and IT specialists.

Approach

Incrementally constructs a Protocol Dependence Graph: operation dependence synthesis via DSL program synthesis (EM-based joint optimization) for syntax, reagent flow analysis via reaching definitions and a PDA-style traversal for semantics, and constraint-based partial execution traces for spatial-temporal checks at the execution level, with LLMs used as auxiliary extractors.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use the three-stage protocol translation framework instead of Best-BaselineProtocol translation · 75-protocol test setoverall translation performanceHelped
Use operation-dependence synthesis instead of ConDec-SYSyntax-level translation · Protocol translation test setsyntax-level translation performanceHelped
Use operation-dependence synthesis instead of DSL-LLM-SYSyntax-level translation · Protocol translation test setsyntax-level translation performanceHelped
Use deductive verification instead of NL-RAG-LLM-SESemantics-level translation · Protocol translation test setsemantics-level translation performanceHelped
Use deductive verification instead of NL-LLM-SESemantics-level translation · Protocol translation test setsemantics-level translation performanceHelped

Surprising findings

Limitations

Experimental setup

Datasets: open-access experimental protocols from Protocol Exchange, Star-protocols, Bio-protocol, Current Protocols, and JoVE

Benchmarks: 75-experiment test set (1,166 steps) across chemical synthesis, genetics, medical, bioengineering, ecology

Metrics: ROUGE BLEU exact match over key-value pairs

Baselines: ConDec-SY DSL-LLM-SY NL-RAG-LLM-SE NL-LLM-SE Best-Baseline human experts

Builds on: XDL reaching definitions context-free grammar AutoDSL

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