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Artificial Intelligence in Health
Shalini Ananda, PhD
shalini@quantifiedskin.com
http://quantifiedskin.com1061 Market St. #511 San Francisco, CA 94103
http://quantifiedskin.com
Deep Learning Teaches Computers to Think
Our brain’s neocortex utilizes layers to create
representation from low level inputs to
transform them into meaningful assertions.
Deep learning enables computers to do the
same.
http://quantifiedskin.com
Deep Learning Assists in Feature Engineering
Raw Data
Feature
Extractor
Features
Algorithm
(machine learning)
(train or predict)
http://quantifiedskin.com
Deep Learning Assists in Feature Engineering
Raw Data
Feature
Extractor
Features
Algorithm
(machine learning)
(train or predict)
Deep learning
http://quantifiedskin.com
Easy to Tell These Are Cookies
http://quantifiedskin.com
Necessary to Have a Deep Understanding of Material Science
http://quantifiedskin.com
What If a Computer Could Think Like a Researcher?
Published experiments contain magnitudes of errors, but there are meaningful patterns if you know what to look for
http://quantifiedskin.com
We Can Teach Computers to Learn the Relevant Scientific Data
Ever increasing
number of
experiments
Experimentation steps
http://quantifiedskin.com
Humans Use a Logical Approach to Experimentation
1
Elucidating the role of a
material or molecular
system
i.e.
Targeting and sustained
release
2
Estimating the effect of a
material system in the
state of action
i.e.
Biodistribution and half-life
3
Design of material
Run experiment
Prepare for next iteration
Human’s can’t physically test all possibilities
http://quantifiedskin.com
Need for Reducing Irrelevant Experiments
Experiments must factor characteristics such
as:
•Targeting modalities
•Charge modifications
•Shape, and more…
If there are 10 nanoparticles and 6 possible
parameters to change and 43 variants; that’s
over:
10258
experiments
Not enough time to run every experiment.
Smart materials
Lets use nanoparticles as an example
http://quantifiedskin.com
Our Validation Approach
1
We outreached to
researchers working on
smart materials.
The researchers provided us
characterization input data.
Three step process
We conducted 152 blind experiments with 31 institutions.
A few of the institutions we worked with
http://quantifiedskin.com
Our Validation Approach
1
We outreached to
researchers working on
smart materials.
The researchers provided us
characterization input data.
2
Our team ran the
characterization inputs
through our deep learning
engine, NuSilico™.
We predicted biodistribution
and half-life outputs.
3
Researchers ran their
experiments
(avg. length 4 months).
We compared NuSilico™’s
outputs to the researcher’s
experimental data.
Three step process
http://quantifiedskin.com
Our Results - Our Predictions vs Observed Empirical Experiments
From 152 experiments with 31 institutions
R2
= 0.9370 R2
= 0.9656
http://quantifiedskin.com
Deep Learning Is Better for Feature Selection than SVM
recall: 61.40
precision: 66.80
AUC: 84.01
SVM
polynomial kernel
deep learning
recall: 76.80
precision: 88.10
AUC: 93.70
In terms of sensitivity/recall, ROC, and precision where the laplacian score was utilized as the feature selection method for
building the model. We compare SVM polynomial kernel to deep learning
http://quantifiedskin.com
Our Simulations Produced Accurate Models in a Fraction of the Time
We have repeatably demonstrated an order of magnitude time improvement using deep learning
Over 39 months
Just 1 month
Current researching methods
What we’ve demonstrated with deep learning
http://quantifiedskin.com
Building Personalized Therapies - Systematically
1
Determine the target
cells.
What are you trying to
achieve physically?
Three step process
2
Understand the building
blocks.
Train the computer to test
outcomes of experiments.
3
Use deep learning to
simulate and rank the best
designs.
Test orders of magnitude
of experiments to find the
most optimal design path.
Thank You

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Using Deep Learning for Product Innovation in the Personalized Care Space

  • 1. Artificial Intelligence in Health Shalini Ananda, PhD shalini@quantifiedskin.com http://quantifiedskin.com1061 Market St. #511 San Francisco, CA 94103
  • 2. http://quantifiedskin.com Deep Learning Teaches Computers to Think Our brain’s neocortex utilizes layers to create representation from low level inputs to transform them into meaningful assertions. Deep learning enables computers to do the same.
  • 3. http://quantifiedskin.com Deep Learning Assists in Feature Engineering Raw Data Feature Extractor Features Algorithm (machine learning) (train or predict)
  • 4. http://quantifiedskin.com Deep Learning Assists in Feature Engineering Raw Data Feature Extractor Features Algorithm (machine learning) (train or predict) Deep learning
  • 6. http://quantifiedskin.com Necessary to Have a Deep Understanding of Material Science
  • 7. http://quantifiedskin.com What If a Computer Could Think Like a Researcher?
  • 8. Published experiments contain magnitudes of errors, but there are meaningful patterns if you know what to look for http://quantifiedskin.com We Can Teach Computers to Learn the Relevant Scientific Data Ever increasing number of experiments
  • 9. Experimentation steps http://quantifiedskin.com Humans Use a Logical Approach to Experimentation 1 Elucidating the role of a material or molecular system i.e. Targeting and sustained release 2 Estimating the effect of a material system in the state of action i.e. Biodistribution and half-life 3 Design of material Run experiment Prepare for next iteration
  • 10. Human’s can’t physically test all possibilities http://quantifiedskin.com Need for Reducing Irrelevant Experiments Experiments must factor characteristics such as: •Targeting modalities •Charge modifications •Shape, and more… If there are 10 nanoparticles and 6 possible parameters to change and 43 variants; that’s over: 10258 experiments Not enough time to run every experiment. Smart materials Lets use nanoparticles as an example
  • 11. http://quantifiedskin.com Our Validation Approach 1 We outreached to researchers working on smart materials. The researchers provided us characterization input data. Three step process We conducted 152 blind experiments with 31 institutions. A few of the institutions we worked with
  • 12. http://quantifiedskin.com Our Validation Approach 1 We outreached to researchers working on smart materials. The researchers provided us characterization input data. 2 Our team ran the characterization inputs through our deep learning engine, NuSilico™. We predicted biodistribution and half-life outputs. 3 Researchers ran their experiments (avg. length 4 months). We compared NuSilico™’s outputs to the researcher’s experimental data. Three step process
  • 13. http://quantifiedskin.com Our Results - Our Predictions vs Observed Empirical Experiments From 152 experiments with 31 institutions R2 = 0.9370 R2 = 0.9656
  • 14. http://quantifiedskin.com Deep Learning Is Better for Feature Selection than SVM recall: 61.40 precision: 66.80 AUC: 84.01 SVM polynomial kernel deep learning recall: 76.80 precision: 88.10 AUC: 93.70 In terms of sensitivity/recall, ROC, and precision where the laplacian score was utilized as the feature selection method for building the model. We compare SVM polynomial kernel to deep learning
  • 15. http://quantifiedskin.com Our Simulations Produced Accurate Models in a Fraction of the Time We have repeatably demonstrated an order of magnitude time improvement using deep learning Over 39 months Just 1 month Current researching methods What we’ve demonstrated with deep learning
  • 16. http://quantifiedskin.com Building Personalized Therapies - Systematically 1 Determine the target cells. What are you trying to achieve physically? Three step process 2 Understand the building blocks. Train the computer to test outcomes of experiments. 3 Use deep learning to simulate and rank the best designs. Test orders of magnitude of experiments to find the most optimal design path.