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Pfizer HTS Machine Learning Algorithms: November 2002. Paul Hsiung (hsiung+@cs.cmu.edu) Paul Komarek (komarek@cs.cmu.edu) Ting Liu (tingliu@cs.cmu.edu) Andrew W. Moore (awm@cs.cmu.edu) Auton Lab , Carnegie Mellon University School of Computer Science www.autonlab.org. Datasets.
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Pfizer HTS Machine Learning Algorithms: November 2002 Paul Hsiung (hsiung+@cs.cmu.edu) Paul Komarek (komarek@cs.cmu.edu) Ting Liu (tingliu@cs.cmu.edu) Andrew W. Moore (awm@cs.cmu.edu) Auton Lab, Carnegie Mellon University School of Computer Science www.autonlab.org
Datasets Auton Lab, www.autonlab.org
Projections Auton Lab, www.autonlab.org
Previous Algorithms Auton Lab, www.autonlab.org
New Algorithms Auton Lab, www.autonlab.org
Explicit False Positive Model Auton Lab, www.autonlab.org
Explicit False Positive Model Auton Lab, www.autonlab.org
Example in 2 dimensions: Decision Boundary Auton Lab, www.autonlab.org
Example in 2 dimensions: 100 true positives Auton Lab, www.autonlab.org
100 true positives and 100 true negatives Auton Lab, www.autonlab.org
100 TP, 100 TN, 10 FP Auton Lab, www.autonlab.org
Using regular logistic regression Auton Lab, www.autonlab.org
Using EFP Model Auton Lab, www.autonlab.org
Example: 10000 true positives Auton Lab, www.autonlab.org
10000 true positives, 10000 true negatives Auton Lab, www.autonlab.org
10000 TP, 10000 TN, 1000 FP Auton Lab, www.autonlab.org
Using regular logistic regression Auton Lab, www.autonlab.org
Using EFP Model Auton Lab, www.autonlab.org
EFP Model Real Data Results K-fold Auton Lab, www.autonlab.org
EFP Effect …Very impressive on Train1 / Test1 Auton Lab, www.autonlab.org
Log X-axis Auton Lab, www.autonlab.org
EFP Effect …Unimpressive on jun31 / jun32 Auton Lab, www.autonlab.org
Super Model • Divide Training Set into Compartment A and Compartment B • Learn each of N models on Compartment A • Predict each of N models on Compartment B • Learn best weighting of opinions with Logistic Regression of Predictions on Compartment B • Apply the models and their weights to Test Data Auton Lab, www.autonlab.org
Comparison Auton Lab, www.autonlab.org
Log X-Axis Scale Auton Lab, www.autonlab.org
Comparison on 100-dims Auton Lab, www.autonlab.org
Log X-axis Auton Lab, www.autonlab.org
Comparison on 10 dims Auton Lab, www.autonlab.org
Log X-axis Auton Lab, www.autonlab.org
NewKNN summary of results and timings Auton Lab, www.autonlab.org
PLS summary of results • PLS projections did not do so well. • However, PLS as a predictor performed well,especially under train100/test100. • PLS is fast. The runtime varies from 1 to 10 minutes. • But PLS takes large amounts of memory. Impossibleto use in a sparse representation. (This is due to theupdate on each iteration.) Auton Lab, www.autonlab.org