--> --- name: 'bayesian-optimizer' description: 'Bayesian Optimize' measurable_outcome: Execute skill workflow successfully with valid output within 15 minutes. allowed-tools: - read_file - run_shell_command --- The **Bayesian Optimizer** allows agents to efficiently explore a parameter space to maximize a target metric (yield, purity, binding affinity) with minimal experiments. It uses Gaussian Processes to model uncertainty and the Upper Confidence Bound (UCB) acquisition function.
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---
name: 'bayesian-optimizer'
description: 'Bayesian Optimize'
measurable_outcome: Execute skill workflow successfully with valid output within 15 minutes.
allowed-tools:
- read_file
- run_shell_command
---
# Bayesian Optimization (Self-Driving Lab)
The **Bayesian Optimizer** allows agents to efficiently explore a parameter space to maximize a target metric (yield, purity, binding affinity) with minimal experiments. It uses Gaussian Processes to model uncertainty and the Upper Confidence Bound (UCB) acquisition function.
## When to Use This Skill
* When experiments are expensive or time-consuming.
* To autonomously tune hyperparameters for a machine learning model.
* To optimize reaction conditions (temperature, pH, concentration).
## Core Capabilities
1. **Next Step Proposal**: Suggests the next best experiment parameters.
2. **Surrogate Modeling**: Predicts outcomes for untested parameters.
3. **Exploration/Exploitation**: Balances trying new things vs. refining known good results.
## Workflow
1. **Input**: History of past experiments (params -> results) and bounds.
2. **Process**: Fits a Gaussian Process to the data.
3. **Output**: Returns the parameters for the next experiment.
## Example Usage
**User**: "Given these past results, what temperature and pH should I try next?"
**Agent Action**:
```bash
python3 Skills/Mathematics/Probability_Statistics/bayesian_optimization.py \
--history "[[20, 7.0, 0.5], [25, 6.5, 0.6]]" \
--bounds "[[10, 40], [5, 9]]" \
--output next_experiment.json
```
<!-- AUTHOR_SIGNATURE: 9a7f3c2e-MD-BABU-MIA-2026-MSSM-SECURE -->
