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Applying Machine Learning
and Design of Experiments to
Visually-Intensive Process
Metrics
George S. BaggsSystems Engineer, Moog Space and Defense Group, East Aurora, New York
Version 20181025
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Agenda• Introduction
• What is Machine Learning?
• DOE – an Overview
• Visual Classification of Process Output via Machine Learning – an Overview
• Application 1: Visual Classification of Experimental Output
– Unsupervised Machine Learning
– Supervised Machine Learning
• Application 2: DOE Optimization DOE of a CNN – a Demonstration
• Summary
• More Information
• Questions?
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 2
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Introduction• Machine Learning has been used at Moog to improve the quality of processes with visual
outputs
• Machine Learning has been applied within the framework of statistical Design of Experiments (DoE) to improve experiential response quality for Additive Manufacturing (AM) process-development
• Machine learning is simply another tool that can be used complements traditional methods
• DoE can also be used to optimize the hyper-parameters of a deep learning CNN (Convolutional Neural Network)
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 3
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What is Machine Learning?• A data analysis method that automates analytical model building1
• A branch of Artificial Intelligence (AI), based on the idea that machines can2
– Learn from data and identify patterns
– Make decisions with minimal human intervention
[1,2] SAS Machine Learning https://www.sas.com/en_us/insights/analytics/machine-learning.html
Input
Data Preparation
Transformation
Output
Statistics Machine Learning
Dependent Variable Label
Variable Feature
Transformation Feature Creation
Feature Creation
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What is Ma chine Learning?Two different types of Machine Learning have been used at Moog to help improve process quality3
• Supervised: the machine is shown both the inputs and outputs (labeled examples), and it then learns the relationship between data inputs and outputs
– Statistical example would be a regression fit
• Unsupervised: the machine is shown the input data, and it then determines what structures and patterns exist within the data
– Statistical example would be finding data outliers
[3] Other types semi-supervised learning (limited label examples) and reinforcement learning (learn by trial and error with a reward function)
Note that Moog is exploring these as well; however, only the two above pertain to this presentation
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 5
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What is Deep Learning?Deep Learning is a subfield of machine learning:
• Utilizes many stacked (i.e. ‘Deep’) layers of Artificial Neural Networks (ANN)
• ANNs are inspired by the function of neurons in the brain
• Two primary types:
– Convolutional Neural Networks (CNN) for recognizing patterns in spatial data (e.g. pictures)
– Recurrent Neural Networks (RNN) for recognizing patterns in temporal data (e.g. time series)
• CNNs and RNNs may be combined
– Example: recognize patterns in a series of images (e.g. video)
Input
Feature Extraction
Feature Creation
Output
Data
Preparation &
Training
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What is Design of Experiments?A branch of applied statistics that deals with planning, conducting, analyzing and interpreting controlled tests for evaluation of factor effects on a parameter or group of parameters4, 5
• Strategically designed and executed
• Efficient (simultaneous study of factors)
• Provides for error control anderror quantification
• Facilitates unbiased evaluation of factor effects and interactions
[4] From ASQ: http://asq.org/learn-about-quality/data-collection-analysis-tools/overview/design-of-experiments.html
[5] See: http://www.moog.com/news/blog-new/GeorgeBaggsonAdditiveManufacturing.html
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A Visual Classification of Process OutputAutomatic inspection and classification of metallic grain structure6
[6] Adapted Chollet simple binary classifier CNN: https://blog.keras.io/building-powerful-image-classification-models-using-very-little-data.html
good grains
bad grains
950,369 Parameters
Training & Test Accuracy
Approximately 2500 images were used to
create 7000 examples for the CNN training
and validation dataset
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When performing a DoE on an Additive Manufacturing (AM) process7, the experimental treatment combinations are arranged spatially on the AM machine build plate
Factor A
Factor B
Factor B
Factor D
Factor E
Factor F
ANOVA
A Visual Classification of Experimental Output
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Normal Probability Plot Versus Fits
Histogram Versus Order
Residual Plots for Specific Energy DensityResidual Plots
Typical responses = Bulk metallic properties
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 9
[7] http://www.moog.com/news/blog-new/GeorgeBaggsonAdditiveManufacturing.html
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Problem Statement
Additive Manufacturing DoE coupons exhibited two non-desirable features that were visually obvious
• Raised lumpy structures that tend to catch and jam the AM machine’s recoater blade
• Highly visible seams in the material
• These two features were independent of the bulk material properties of the metal
A Visual Classification of Experimental Output
VOL DOE2 Response Coupon 1-4 VOL DOE2 Response Coupon 2-15
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How to Quantify Visual Metrics?
The presence of non-desirable visual features could be rated by people, and these ratings could be used as new responses for the experiment…but…
• People tend to provide biased ratings
• People tend to be inconsistent (high variability)
• The number of participants should be as large as possible (often impractical)
• There are techniques that could be used to help mitigate these problems (e.g. psychometric methods)8
The decision was instead made to use a machine-learning-based method to eliminate the problems associated with people-provided ratings9
A Visual Classification of Experimental Output
[8] https://www.psychometricsociety.org/content/what-psychometrics
[9] We have conducted studies that demonstrate that a machine-learning algorithm is almost twice as accurate as human SMEs
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VOL DOE2 Response Coupon 1-4 VOL DOE2 Response Coupon 2-15
An unsupervised k-means clustering machine learning algorithm was used to find and isolate the raised lumpy structures
• The algorithm was programed to find two classes of data within the images, and then to color-classify these as either green or red pixels on the raw images
• The algorithm was used to color-classify all 40 coupon images from the DoE
– Images with more solid lumpy areas have less collective boundary length between the red and green than images with dispersed smaller areas of red
– The images were stored as JPEGs, which uses a ‘lossy’ compression technique
– The algorithm clusters data by trying to separate samples into ‘n’ groups of equal variance, minimizing a criterion known as the inertia or within-cluster sum-of-squares.10 Here ‘n’ = 2 (classes).
– These characteristics were exploited using some digital signal processing11
An Unsupervised Machine Learning Approach
K-means Classification of Response Coupon 1-4 K-means Classification of Response Coupon 2-15
[10] http://scikit-learn.org/stable/modules/clustering.html#k-means
[11] Processing on the pixel color frequencies Image histogram
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Statistical Analysis of K-Means Classification Resp onse Metric
• The DoE matrix was an RSM (Response Surface Model)
– Central Composite Design (CCD), withstandard star points (α)
– Three factors
An Unsupervised Machine Learning Approach
13
Star Points (+/- α)
Center Point (0)
Cube Points (+/-1)
Factor A
Factor B
Factor C
xxx
xxx
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Statistical Analysis of K-Means Classification Resp onse Metric
• ANOVA (Analysis of Variance)12
An Unsupervised Machine Learning Approach
These extremely high F-ratios and
0% P-values indicate these factors
have a very strong effect on the
variation seen in the k-means
response metric
Error was less for the k-means
response than was seen for the
traditional additive manufacturing bulk
properties responses
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 14
[12] ANOVA: https://en.wikipedia.org/wiki/Analysis_of_variance
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Statistical Analysis of K-Means Classification Resp onse Metric
• Main Effects
• Interaction
An Unsupervised Machine Learning Approach
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Statistical Analysis of K-Means Classification Resp onse Metric
• Residual Plots
– The ‘left-over’ variation after the RSM K-means fit and these can provide further clues
– Surprisingly well-behaved
An Unsupervised Machine Learning Approach
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Histogram Versus Order
Residual Plots for Red HRatio
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Deep-Learning CNN 13 to Recognize the Seams
• Raw data preparation (a necessary operation for CNNs)
– Image borders were removed and the remaining field was partitioned into 4 quadrants
– To reduce dimensionality, image pixel color ranges were shifted to 1/255 and then gray-scaled (using weighted averaging on RGB channels)
A Supervised Machine Learning Approach
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 17
[13] http://cs231n.github.io/convolutional-networks/
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CNN Dataset Preparation
• Training & validation dataset created
– Relatively sparse data so standard deep-learning data augmentation techniques were used14
– Random width and height shifts, random shears and zooms, and random rotations of dataset images
– Increased apparent size of the available data samples from 40 imagesto 200 total (140 for training and 60 for validation)
– Dataset was split 50/50 between seams and no-seams examples
A Supervised Machine Learning Approach
30
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[14] Francois Chollet (Google engineer): https://blog.keras.io/building-powerful-image-classification-models-using-very-little-data.html
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CNN Training and Validation
• Dynamic augmentation used during training using dynamic memory-only preprocessing as a front-end operation during training
• Trained in batches of 20 images across 500 training epochs
– Approximately 2 sec/epoch on an NvidaTitan Xp GPU (Graphics Processing Unit)
– 17 minutes of training for all 500 epochs
• Maximum CNN performance
– Training accuracy 95% validation accuracy 91.7%; overall 94% (200 dataset images)
• Observations
– Elevation of training accuracy above validation accuracy around Epoch 200 indicates that the CNN was overfitting, but in this case, this was not a concern
A Supervised Machine Learning Approach
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CNN Seam Parametric Response Metric
• The trained CNN was then used to classify each of the original greyscale image quadrants from the DoE as either no-seam = 0.00 or seam = 1.00
– The CNN achieved 94.38% classification accuracy on the original images
– Accuracy was based on which images were visually sorted for seam or no-seam when the training and validation sets were first created
• The 4 classification metrics per response image were averaged for each DoE treatment
– This ensemble approach improves the ‘depth’ of the experimental responsemetric
A Supervised Machine Learning Approach
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Statistical Analysis of CNN Seam Response Metric
• ANOVA (Analysis of Variance)
A Supervised Machine Learning Approach
Extremely high F-ratio and 0% P-
values indicate this factor has a very
strong effect on the variation seen in
the CNN seam response metric
Error was less for the CNN seam
response than was seen for the
traditional additive manufacturing bulk
properties responses
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 21
The curved component of Factor A
was significant
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Statistical Analysis of CNN Seam Response Metric
• Main effects
• Interaction
A Supervised Machine Learning Approach
Overlap (um) 50
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atc
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GRCop84 Presence of Seam by CNN Classification of Raw Top Surface ImagesInteraction Contour Plot
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GRCop84 Presence of Seam by CNN Classification of Raw Top Surface Images
Fitted Means
Main Effects Plots
Factor A Factor B Factor C
Hig
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r P
sea
m�
Mo
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ea
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These two factors were
statistically significant
low medium high low medium high low medium high
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Statistical Analysis of CNN Seam Response Metric
• Residual Plot
– The ‘left-over’ variation after the RSM CNN seam fit and these can provide further clues
– Surprisingly well-behaved
A Supervised Machine Learning Approach
0.40.20.0-0.2-0.4
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Normal Probability Plot Versus Fits
Histogram Versus Order
Residual Plots for Seam-Probability
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Augmenting DoE Visual Responses
• The use of ML techniques to create response metrics from visual images, for an Additive Manufacturing DoE, was positive
– Provides a surrogate for human subject-matter experts to classification and rate visual responses
– A CNN was trained just for the purposes of evaluating a DoE response can over-fit without much worry:
o The experimental environment was a one-time situation and was not intended for production (the CNN has a very limited charter)
o The machine was intended to replace a human-rating with a non-biased metric
– If necessary, a production version of the CNN would be trained using an adequately sized dataset
Machine Learning with DoE
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 24
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Structured Experimentation to Optimize a CNN
• Almost all publications concerning deep learning and AI report a one-factor-at-a-time (1FAT) approach to testing and algorithm optimization
• A deep learning CNN has hundreds of categorical and parametric hyperparameters (algorithm factors) to set and optimize
• When choosing methods and configurations, much of the approach follows so-called best practices
• It became apparent that the field of deep learning AI would benefit from the use of a structured experimental approach such as DoE
– The MNIST dataset was chosen as the vehicle to test this idea
– MNIST has established benchmarks of performance that can be used for CNN performance comparison
DoE Applied to Deep Learning Optimization
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 25
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What is the MNIST dataset?
• Modified NIST (National Institute of Standards and Technology) handwriting database15
– Original NIST Special Database 19 created in 1995 (postal character recognition)
– Now widely used to baseline performance of various Machine Learning systems
– Dr. Sargur N. Srihari16
UB Department of Computer Science and Engineering (CSE)
DoE Applied to Deep Learning Optimization
[15] The MNIST Database of handwritten digits: http://yann.lecun.com/exdb/mnist/
[16] SUNY at Buffalo, Dr. Sargur N. Srihari: https://cedar.buffalo.edu/~srihari/
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 26
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Machine Learning Benchmarks using MNIST
• The dataset contains 70,000 examples: 60,000 training images and 10,000 test images
• Benchmark summary below (Wikipedia)17
DoE Applied to Deep Learning Optimization
[17] Wikipedia: MNIST Database: https://en.wikipedia.org/wiki/MNIST_database
2012
2016
1998
2007
2009
2003
2002
2003
1998
2010
2016
2016
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Machine Learning Benchmarks using MNIST
• Load the MNIST dataset into the Keras API18,19
DoE Applied to Deep Learning Optimization
[18] Keras: https://keras.io/
[19] https://machinelearningmastery.com/handwritten-digit-recognition-using-convolutional-neural-networks-python-keras/
False color images to
visualize gray scale levels
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 28
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Machine Learning Toolset
• How the CNN was configured for this demonstration
– Blue boxes are provided as either open-source or no-fee license applications
DoE Applied to Deep Learning Optimization
Python 2.7.8
Anaconda Stack
(Library of Computational APIs)
Theano
(ANN API from University of Montreal)
Keras
(Deep Learning API from Francis Chollet – a Google engineer)
Tensorflow
(ANN API from Google)
CNTK
(ANN API from Microsoft)
SciPy
(Science and Engineering Libraries)
scikit-learn
(Machine Learning Libraries)
PyCharm
(Commercial Python IDE)
Everything inside this
boundary is included in the
Anaconda Stack
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 29
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MNIST CNN Demonstration
• A large 5-layer CNN example from Dr. Jason Brownlee20 was selected
DoE Applied to Deep Learning Optimization
[20) Dr. Jason Brownlee http://machinelearningmastery.com/start-here/
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 30
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MNIST CNN DoE
• Brownlee Model Large CNN for MNIST
– This demonstration CNN was already configured for near-state-of-the-art performance using best-practices
– Performance yielded ~ 1% error rate after 10 epochs of training and validation
• Built using the Keras API
– No changes to the structure of the Brownlee model, but superficial modifications for the DoE were introduced
– 2 internal CNN factors and 2 external training factors were varied for this DOE
– Internal: convolutional layer output activation (Relu or tanh) and dropout layer rate (20% and 40%) – blue indicates Brownlee baseline
– External: training sample batch size (100 and 200) and optimization algorithm (Adam or Nadam) – blue indicates Brownlee baseline
DoE Applied to Deep Learning Optimization
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 31
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MNIST CNN DoE
• Response Surface Model (RSM)
– Central Composite Design (CCD) w/ standard star points
– Batch (79, 100, 150, 200, 221)
– Drops (15.9%, 20%, 30%, 40%, 44.1%)
– Activation (Relu and Tanh)21
– Optimizer (Adam and Nadam)22
• Run only 5 epochs per treatment
– Brevity needed (I didn’t have the GPUmachine when I did this)
DoE Applied to Deep Learning Optimization
2 continuous variables:
- Batches and Dropouts
2 discrete variables:
- Activation and
Optimization
Cube Points
Star Points (α)
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 32
[21) https://towardsdatascience.com/activation-functions-neural-networks-1cbd9f8d91d6
[22] http://ruder.io/optimizing-gradient-descent/
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MNIST CNN DoE - Method
• DOE run programmatically in Python code
• Factor level changes made automatically as program sequences through DoE matrix
• CNN is trained and validated on each DoE treatment combination (from input CSV)
• Output from CNN is then loaded back into Minitab for statistical analysis
DoE Applied to Deep Learning Optimization
MINITAB
(Design Experiment)MNIST_CNN_DOE.MJP
Excel
(create matrix text file)Demo_CNN_DOE.xlsx
Python
(Load matrix into a data
dictionary)
Keras
(Automatically Run DOE)MNIST_CNN_DOE_CCD-2C-2D.py
input
1 -----------
2------------
3------------
CCD-2C-2D_20170812.txt
output
1------------
2------------
3------------
DOE_Output.txt
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 33
1
2 3
4
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MNIST CNN DoE - Analysis
• ANOVA (Analysis of Variance)
DoE Applied to Deep Learning Optimization
• Main Effects (Linear)
– Activation 7.14%
– Optimizer 19.1%
• 2-Factor Interactions
– Batch x Optimizer 4.76%
– Activation x Optimizer 4.76%
• Experimental Error
– Lack-of-fit 38.1%
– Pure Error 21.4% (reproducibility)
Surprised by variability
(very stochastic, not deterministic)
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 34
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MNIST CNN DoE - Analysis
• Main Effects
• Interactions
DoE Applied to Deep Learning Optimization
220
.711
200.
000
150
.000
100
.000
79.2
89
0.0105
0.0104
0.0103
0.0102
0.0101
0.0100
0.0099
0.0098
0.0097
0.0096
0.44
1421
0.40
0000
0 .300
000
0.200
00 0
0.15
8 579
tanh
relu
nada
mad
am
Batch
Mean
Dropout Activation Optimizer
MNIST Large CNN 5-Epoch Error Rate
0.441
421
0.400
000
0.300
000
0.200
000
0.158
579
nada
m
adam
0.011
0.010
0.009
0.011
0.010
0.009
0.011
0.010
0.009
220.71
1
200.00
0
150.
000
100.00
0
79.28
9
0.011
0.010
0.009
tanhre
lu
Batch
Dropout
Activation
Optimizer
79.289
100.000
150.000
200.000
220.711
Batch
0.158579
0.200000
0.300000
0.400000
0.441421
Dropout
relu
tanh
Activation
adam
nadam
Optimizer
MNIST Large CNN 5-Epoch Error Rate
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 35
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MNIST CNN DoE - Analysis
• Residual Plots
DoE Applied to Deep Learning Optimization
0.0020.0010.000-0.001-0.002
99
90
50
10
1
Residual
Pe
rce
nt
0.01100.01050.01000.00950.0090
0.002
0.001
0.000
-0.001
-0.002
Fitted Value
Resi
dua
l
0.00160.00080.0000-0.0008-0.0016
16
12
8
4
0
Residual
Fre
que
ncy
50454035302520151051
0.002
0.001
0.000
-0.001
-0.002
Observation Order
Resi
dual
Normal Probability Plot Versus Fits
Histogram Versus Order
Residual Plots for Error • Relatively well-behaved
– Close to normal residual variation
– No evidence of a pattern superimposed over the run-order
– The experimental matrix was not randomized
• Due to the thought that computer models are deterministic
• The CNN exhibits stochastic behavior (makes sense after thinking about it)
• Future DOEs will randomize the run order to prevent aliasing external effects into the experiment
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 36
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MNIST CNN DoE - Validation
• CNN configured to best settings found in the DoE
– Batch = 200, Dropouts = 40%, Activation = ‘Relu’, Optimizer = ‘Nadam’
– Loss function = ‘Categorical-Cross Entropy’
– Validation CNN run through 48 epochs on MNIST (70,000 digit images)
DoE Applied to Deep Learning Optimization
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 37
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MNIST CNN DoE – Comparison to Baseline Brownlee CNN
• CNN configured to Brownlee baseline: error at 0.75% after 40+ epochs
• CNN configured to best settings found in the DoE: error at 0.60% after 40+ epochs
– DoE-optimized CNN demonstrated a 20% improvement over baseline
DoE Applied to Deep Learning Optimization
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 38
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Final ConclusionsComplementing DoE with Machine Learning (and Vice V ersa)
• Positive
– The use of ML techniques to create response metrics from visual images, for an Additive Manufacturing DoE, was successful
– ML can act as a surrogate for human subject-matter experts (SME) to classify and rate visual responses from the experimental
– ML in lieu of human SMEs will eliminate bias and variation from the experimental response
• Negative
– Proper data preparation and the correct training approach is critical for ML success (this is not trivial)
– ML tools are still in raw form (i.e. needs to be coded using a computer language)
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 39
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Machine Learning Resources
More Information
1. Keras (https://keras.io/ )
2. Theano (http://deeplearning.net/software/theano/ )
3. Anaconda (https://www.continuum.io/what-is-anaconda )
4. Scipy (https://www.scipy.org/ )
5. Scikit-learn (http://scikit-learn.org/stable/ )
6. Python (https://www.python.org/ )
7. NIST database 19 (https://www.nist.gov/srd/nist-special-database-19 )
8. MNIST database (http://yann.lecun.com/exdb/mnist/ )
9. Dr. Jason Brownlee (http://machinelearningmastery.com/start-here/ )
10.CS231 online CNN course (http://cs231n.github.io/convolutional-networks/ )
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 40
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More Information
1. Moog (http://www.moog.com/ )
2. Moog AM (http://www.moog.com/3dmetal/index.html )
3. Moog AM/AI (http://www.moog.com/news/blog-new/UB_Moog_Develop_AI_for_MetalAM.html )
4. Moog DoE (http://www.moog.com/news/blog-new/GeorgeBaggsonAdditiveManufacturing.html )
MOOG
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More Information
CONTACT INFORMATION
George S. Baggs
Questions?
October 16, 2018 ACQ Buffalo 2018 Problem Solving Showcase 42