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# Active Subsampling
**Improving Molecular Machine Learning Through Adaptive Subsampling with Active Learning**
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## Overview
We use active machine learning as an autonomous and adaptive data subsampling strategy and show that active learning-based subsampling can lead to better molecular machine learning performance when compared to both training models on the complete training data and 19 state-of-the-art subsampling strategies. We find that active learning is robust to errors in the data, highlighting the utility of this approach for low-quality datasets. Taken together, we here describe a new, adaptive machine learning pre-processing approach and provide novel insights into the behavior and robustness of active machine learning for molecular sciences.
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## Files
- **code.py** contains all code and functions to run and evaluate active learning subsampling
- **Example_workflow_for_AL_Subsampling.ipynb** contains an example notebook that runs BBBP but can be run out of the box on a local machine or on Google Colab to apply this technique to new datasets
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## Dependencies
* [numpy](https://numpy.org/)
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## Quickstart
Datasets can be loaded from DeepChem