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ADO TRIM Operator

ado-trim is an operator plugin for the Accelerated Discovery Orchestrator (ADO), providing the Transfer Refined Iterative Modeling (TRIM) characterization operator.

TRIM is designed to efficiently build a surrogate model of a complex system. It is ideal for scenarios where exploring a parameter space is time-consuming or expensive. TRIM intelligently samples just enough points to create a stable and accurate predictive model, saving significant time and resources.

How it Works

The TRIM operator works in two main phases:

  1. No-Priors Characterization: If the system has not been measured before, TRIM starts by sampling a small, representative set of points using a space-filling algorithm to get a baseline understanding of the parameter space.

  2. Iterative Modeling: This phase begins by using all currently available data to train a single preliminary surrogate model. The feature importance from this model is used to order for all remaining unmeasured points. TRIM then enters a loop where it:

    • Samples the next point and adds it to the dataset.
    • Trains a model on the gathered data.
    • Evaluates the expected improvement of a model trained on a larger dataset by comparing the new model's performance against that of previous models.

This loop continues until the improvement falls below the configured thresholds or the sampling budget is exhausted. TRIM then trains one high-quality final model on all collected data and saves it to {outputDirectory}_finalized/ (defaults to trim_models_finalized/ in the directory you run ado create operation from), alongside a model_card.json file. The stopping_criteria_satisfied field in model_card.json is true when TRIM stopped because the convergence thresholds were met, and false when the sampling budget was exhausted first. It also outputs a file containing the measured values and predictions for all points in your space.

Installation

You can install the TRIM operator and its dependencies (including ado-core) directly from PyPI:

pip install ado-trim

More Information

To learn more about TRIM and explore the full capabilities of ADO, including detailed documentation, configuration guides, and additional examples, visit the official ADO website:

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