overfitting, cross-validation2005/02/02  · overfitting, cross-validation recommended reading: •...

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Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning 10-701 Tom M. Mitchell Carnegie Mellon University

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Page 1: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

Overfitting, Cross-Validation

Recommended reading:

• Neural nets: Mitchell Chapter 4

• Decision trees: Mitchell Chapter 3

Machine Learning 10-701

Tom M. MitchellCarnegie Mellon University

Page 2: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

Overview

• Followup on neural networks– Example: Face classification

• Cross validation– Training error– Test error– True error

• Decision trees– ID3, C4.5– Trees and rules

Page 3: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning
Page 4: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning
Page 5: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning
Page 6: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

# of gradient descent steps

Page 7: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

# of gradient descent steps

Page 8: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

# of gradient descent steps

Page 9: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning
Page 10: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning
Page 11: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

Cognitive Neuroscience Models Based on ANN’s[McClelland & Rogers, Nature 2003]

Page 12: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning
Page 13: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning
Page 14: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

How should we choose the number of weight updates?

Page 15: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning
Page 16: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

How should we choose the number of weight updates?

How should we allocate N examples to training, validation sets?

How will curves change if we double training set size?

How will curves change if we double validation set size?

What is our best unbiased estimate of true network error?

Page 17: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

Overfitting and Cross ValidationOverfitting: a learning algorithm overfits the

training data if it outputs a hypothesis, h 2 H, when there exists h’ 2 H such that:

where

Page 18: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

Three types of errorTrue error:

Train set error:

Test set error:

Page 19: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

Bias in estimates

Gives a biased (optimistically) estimate for

Gives an unbiased estimate for

Page 20: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

Leave one out cross validationMethod for estimating true error of h’• e=0• For each training example z

– Training on {data – z}– Test on single example z; if error, then e e+1

Final error estimate (for training on sample of size |data|-1) is: e / |data|

Page 21: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

Leave one out cross validationThe leave-one-out error, e / |data|, gives an almost

unbiased estimate for

Page 22: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

Leave one out cross validationIn fact, the e / |data| estimate of leave-one-out cross

validation is a slightly pessimistic estimate of

Page 23: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

How should we choose the number of weight updates?

How should we allocate N examples to training, validation sets?

How will curves change if we double training set size?

How will curves change if we double validation set size?

What is our best unbiased estimate of true network error?

Page 24: Overfitting, Cross-Validation2005/02/02  · Overfitting, Cross-Validation Recommended reading: • Neural nets: Mitchell Chapter 4 • Decision trees: Mitchell Chapter 3 Machine Learning

What you should know:

• Neural networks– Hidden layer representations

• Cross validation– Training error, test error, true error– Cross validation as low-bias estimator