Research map / Probabilistic and scientific modeling / Molecules and proteins
GeneDisco: A Benchmark for Experimental Design in Drug Discovery
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Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Use diversity-based, model-independent acquisition (Random or kmeansdata) instead of model-uncertainty acquisition | Batch active learning with counterfactual estimators · GeneDisco assays, lower acquisition batch sizes | test MSE | Helped |
| Use diversity-based, model-independent acquisition (Random or kmeansdata) instead of uncertainty-based acquisition | Batch active learning with counterfactual estimators · GeneDisco assays | interesting-gene hit ratio | Hurt |
| Use model-uncertainty acquisition (topuncertain or softuncertain) rather than diversity heuristics | Batch active learning with counterfactual estimators · GeneDisco assays, lower acquisition batch sizes | test MSE | Hurt |
| Increase acquisition batch size | Batch active learning with counterfactual estimators · GeneDisco assays | test MSE | Mixed |
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