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Laboratory Validation Protocol

This document describes a human-operated validation workflow for the ASD tutorial. It is not autonomous reactor-control software, and it does not certify that the toy model predicts real HfO2/MoS2 chemistry.

Scope

The manual handoff workflow is intended to:

  • receive validated optimizer candidates;
  • export operator-readable lab plans;
  • track planned experiments as pending;
  • import completed measurements;
  • validate units, required fields, and quality-control status;
  • convert accepted measurements into optimizer-visible observations;
  • allow Bayesian optimization to continue from the updated ledger.

The workflow does not open valves, set reactor hardware, collect measurements, or make safety decisions for a real instrument.

Candidate Export

ManualLabBackend accepts Stage 2 candidates containing:

  • candidate ID;
  • precursor dose in seconds;
  • temperature in degrees Celsius;
  • integer cycle count;
  • optimizer name.

The backend validates candidates against immutable Stage 2 hard bounds before creating a pending plan. Exported plans include experiment ID, run ID, candidate ID, fixed settings, requested measurements, safety notes, status, operator notes, and timestamps.

Operator Review

Before execution, a human operator should review:

  • local laboratory standard operating procedures;
  • actual precursor, coreactant, substrate, carrier-gas, purge, and exhaust safety;
  • tool-specific temperature, dose, pressure, and cycle-count limits;
  • material compatibility and sample handling;
  • whether the requested condition is appropriate for the real tool.

The tutorial-exported safety notes are reminders, not a replacement for laboratory safety review.

Measurement Import

Completed measurement rows must include:

  • experiment ID;
  • GA thickness;
  • NGA thickness;
  • units;
  • uncertainty when available;
  • measurement method;
  • replicate identifier;
  • quality-control status;
  • operator notes.

Thickness units must be nanometers. Rows marked with failed quality control are not added to the optimizer ledger. Accepted rows are converted into Stage 2 observations, with selectivity and configured constraints evaluated from the imported values.

Reproducibility

Every plan and measurement file should be archived with:

  • exported CSV and JSON plan;
  • completed measurement CSV or JSON;
  • scenario YAML hash or copy;
  • software commit hash;
  • run ID;
  • operator and instrument notes;
  • measurement-method metadata.

The repository results/ directory is ignored by git, so laboratory artifacts should be copied into an institution-approved record system when they become real lab data.

Minimum Readiness Before Real Validation

Before using this framework around real laboratory work, the team should complete:

  • independent safety review by qualified lab staff;
  • unit and metadata mapping to the local instrument;
  • measurement-method uncertainty protocol;
  • replicate and randomization plan;
  • dry run with mock measurements;
  • access-control and data-retention plan;
  • explicit sign-off that no autonomous control is enabled.