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Dr. Christoph Angerer, 09.01.2017
CHALLENGES IN MACHINE LEARNING FOR COMPLEX PHYSICAL SYSTEMS
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Monitoring Effects of Carbon and Greenhouse Gas Emissions
Minute-by-minute AI Weather Forecasting
insideHPC.com SurveyNovember 2016
92%believe AI will impact their work
93%using deep learning seeing positive results
DEEP LEARNING IS ENTERING HPC
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65x in 3 Years
K40
K80 + cuDNN
1
M40 + cuDNN4
P100 + cuDNN5
0x
10x
20x
30x
40x
50x
60x
70x
2013 2014 2015 2016
AlexNet Training Performance
WHY THE EXCITEMENT?GPUs as Enablers of Breakthrough Results
Paper: H.Zhang et al. StackGAN: Text to Photo-realistic Image Synthesis with Stacked Generative Adversarial Networks, arXiv:1612.03242
We can generate photorealistic images from textual descriptions now!
Achieve super-human accuracy in classification
And we are getting faster fast
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AGENDA
A Quick Introduction to Neural Networks
Four Questions and Partial Answers
Concluding Remarks
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1-SLIDE INTRO TO CONVOLUTIONAL NEURAL NETSForward/Backward Propagation
Input
Convolution
Activation
Fully-connected
Loss-Function(Cross Entropy)
Backward-propagation(gradient computation)
𝛻𝛻 𝛻
𝛻
SGD
OptimizationAlgorithm
weight updates
All layers are differentiable
Classification(Softmax)
Forward-propagation
𝛻
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1-SLIDE INTRO TO RECURRENT NEURAL NETSNetwork + Internal State => Dependencies Over Time
= …
Diagrams from: http://colah.github.io/posts/2015-08-Understanding-LSTMs/
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CATEGORIZATION BY SIGNAL
Unsupervisedlearning
Supervisedlearning
Reinforcementlearning
One-shotlearning
ModelTesting
Data
Training Data
ModelUnlabeled Training Data
Model Environment
Labels (expected results)
ModelVery small set of training
dataUse
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CATEGORIZATION BY INPUT/OUTPUT
Diagram from: http://karpathy.github.io/2015/05/21/rnn-effectiveness/
ImageClassification
ImageCaptions
Sentiment Analysis
Text Recognition
Generative(diabolo and others)
Recurrent
Auto-encoder,GANs
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WHAT IF I DON’T HAVE ENOUGH TRAINING DATA?
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HOW MUCH TRAINING DATA IS NEEDED?
• No general answer, need to experiment
• Test error >> training error: probably more data (overfitting?)
• Test error ≈ training error: more data probably doesn’t help
• Look at learned filters: noisy filters generally want more training
• For N functions, need > log(N)+c training cases (see: A Theory of the Learnable, L.G. Valiant, 1984)
• Example: N parameters of type float32 = max 232N distinct networks > 32N samples.
• Rough Guideline: some constant (e.g. 10) multiple of # parameters to avoid overfitting
• Batch normalization, Regularization, etc can give improvement
A recursive answer
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HOW LARGE SHOULD MY NETWORK BE?
• Depends on the amount of training data available
• Too small: bad generalization; Too large: overfitting
• And the complexity of the function to be learned1
• 1-hidden layer (grows exponentially) vs. deep networks (may grow linearly)
• Rough Design Guideline:
• First and last layer are given by model
• Number of nodes of a hidden layer somewhere between the size of its input and output layer
• Number of nodes in layer should be < 2 * #input nodes to avoid overfitting
• The rest is Art(?)
A recursive answer
1 Y.Bengio, Y.LeCun. Scaling learning algorithms towards AI. Large-scale Kernel Machines, 2007
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HOW TO GET MORE TRAINING DATA?
• Data Augmentation and Data Synthesis
• e.g., adding artificial background noise to speech samples (10x increase for Baidu)
• e.g., adding shifts, rotations, distortions to images
• Training and Testing on Simulators
• Google DeepMind Lab
• Self-Driving Vehicles Playing for Data: Ground Truth
from Computer Games, S.Richter et al., ECCV, 2016)
• Robotics
• One-shot Learning, GANs, Autoencoders?
And their Labels
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13From: K.Cranmer. Machine Learning & Likelihoos Free Inference in Particle Physics, NIPS2016
EXAMPLE: PARTICLE PHYSICS (CERN)
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MY DATA IS SYMMETRIC OR INVARIANT IN XYZ?
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INVARIANTS AND SYMMETRIES IN DATA
• CNNs don’t understand Invariants and Symmetries out of the box
• Pooling and downsampling helps with some transformations
• (Training and Test-time) Data augmentation may explode the training set
• Scale/Rotate/Transform/Perturbate each training image many times?
• Approaches:
• Teach networks about certain symmetries (e.g. rotation)
• Normalize/preprocess data to ensure well-known layout
• Find encoding of the data that is invariant to certain operations
Pattern Recognition
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EXPLOITING SYMMETRY IN CONV NETSTeaching CNNs about Rotation
From: S.Dieleman et al. Exploiting Cyclic Symmetry in Convolutional Neural Networks, CoRR, 2016
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NORMALIZING AND PRE-PROCESSING DL trained on jet images vs. physically-motivated feature driven approaches
From: L. de Oliveira et al., Jet-Images -- Deep Learning Edition, JHEP07, 2016
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INVARIANT ENCODING
Molecules are encoded as Vectors of Nuclear Charges and Inter-atomic Distance Matrices
=> Translation and rotation Invariant Representation
From: K.Schütt et al., Quantum-Chemical Insights from Deep Tensor Neural Networks, arXiv:1609.08259
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HOW DO I REPRESENT MY DATA IN NEURAL NETWORKS?
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SIMPLE EXAMPLE: CLASSIFICATIONOne-Hot Encoding
Training Data Scalar Encoding
[0.0]
[1.0]
[2.0]
[3.0]
[4.0]
[5.0]
[6.0]
[7.0]
[8.0]
[9.0]
One-Hot Encoding
[1,0,0,0,0,0,0,0,0,0]
[0,1,0,0,0,0,0,0,0,0]
[0,0,1,0,0,0,0,0,0,0]
[0,0,0,1,0,0,0,0,0,0]
[0,0,0,0,1,0,0,0,0,0]
[0,0,0,0,0,1,0,0,0,0]
[0,0,0,0,0,0,1,0,0,0]
[0,0,0,0,0,0,0,1,0,0]
[0,0,0,0,0,0,0,0,1,0]
[0,0,0,0,0,0,0,0,0,1]
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IMAGE SEGMENTATION & BOUNDING BOXES
Creative use of feature channels
Diagram From: B.Li, T.Zhang, T.Xia. Vehicle Detection from 3D Lidar Using Fully Convolutional Network, CoRR, 2016
GIF from: https://devblogs.nvidia.com/parallelforall/image-segmentation-using-digits-5/
DownsamplingUpsampling
(same-size output)
1 Channel per Object Class (incl.
Background)
1 Channel per BB point coordinate
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ORGANIZING SPEECH INTO FEATURE MAPSReducing Problems to Image Recognition
From: Ossama et al. Convolutional Neural Networks for Speech Recognition, IEEE/ACM Trans. Audio, Speech, and Lang. Proc, 2014
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ENCODING TIME SERIES AS IMAGESGramian Angular Fields (GAF) and Markov Transition Fields (MTF)
From: Z.Wang, T.Oates. Encoding Time Series as Images for Visual Inspection and Classification Using Tiled Convolutional Neural Networks, AAAI Workshop, 2015
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DL FOR SIGNAL PROCESSINGLooking for Gravitational Waves
From: D.George, E.A.Huerta. Deep Neural Networks to Enable Real-time Multimessenger Astrophysics, arXiv:1701.00008 [astro-ph.IM]
Classifier:Detect Presence of
GWs
Regression:Parameter Estimation
(i.e., masses of the two black holes)
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HOW CAN I TRUST THE NETWORK?
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“DEEP NEURAL NETS ARE BLACK BOXES”
• If a network performs well on the test data and appears to work reasonably well on real data…
• Can we trust it?
• Are there formal error bounds on the recognition accuracy?
• E.g., would you trust a trained NN to operate your nuclear power plant?
• Field of active research (DARPA, MIT, Capital One, many others)
• Debugging and Understanding NN behavior
• Rationales for network decisions
… even if you can look at the internals…
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ATTACKING NEURAL NETWORKS
1. Run input x through the classifier model
2. Derive a perturbation tensor that maximizes chances of misclassification:
1. Find blind spots in input space; or
2. Linear perturbation in direction of neural network’s cost function gradient; or
3. Select only input dimensions with high saliency*
3. Apply scaled effective perturbation (δx) to x
1. Larger perturbation == higher probability for misclassification
2. Smaller perturbation == less likely for human detection
Spoofing and Malicious Misclassification
Small Pixel-level Pertubations
900.00Recognized Amount:
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LOOKING INSIDE NEURAL NETS
• Inspecting the NN
• Visualize activations, filters, generate input that maximizes activation of a neuron
• Occlude parts of the input and check expectations
• (e.g., http://cs231n.github.io/understanding-cnn/)
• Capture Model Confidence, Estimate Uncertainty
• Place Gaussian Distribution over Weights => Bayesian Neural Networks
• G.Yarin. Uncertainty in Deep Learning, PhD Thesis, University of Cambridge, 2016
• How to gain scientific insight from a trained network?
Debugging, Understanding, Verifying
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CONCLUDING REMARKS
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DEEP LEARNING —A NEW COMPUTING MODEL
“Software that writes software”
“little girl is eating
piece of cake"
LEARNING
ALGORITHM
“millions of trillions
of FLOPS”
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PIONEERS ADOPTING HPCFOR DEEP LEARNING
“Investments in computer systems — and I think
the bleeding-edge of AI, and deep learning
specifically, is shifting to HPC — can cut down
the time to run an experiment from a week to
a day and sometimes even faster.”
— Andrew Ng, Baidu
Dr. Andrew Ng, Chief Scientist, Baidu
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ROOM FOR FUTURE WORK
• Data Acquisition
• How to get enough high-quality labeled data (or unlabeled learning or less need for input data); how much simulated data is okay without generating artefacts?
• Exploiting Properties of the Data (Symmetries, Invariants, …)
• To speed up learning, improve precision, guarantee properties
• Data Representations, especially for non-image data
• Trusting the Network
• Formal verification, attack models, error bounds, cost of misclassification, gaining scientific insight
• Other topics: new use cases (signal processing), how to design networks, new layer types, generative models, debugging, optimizing
The Four Questions Revisited
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NVIDIA EXPERTISE AT EVERY STEP
Solution ArchitectsGlobal Network
of PartnersDeep Learning
InstituteGTC
Conferences
1:1 support
Network training setup
Network optimization
Certified expert instructors
Worldwide workshops
Online courses
Epicenter of industry leaders
Onsite training
Global reach
NVIDIA Partner Network
OEMs
Startups
Need image
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NVIDIA DEEP LEARNING PARTNERS
Graph Analytics Enterprises Data ManagementDL Frameworks Enterprise DL
Services Core Analytics Tech
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REFERENCES
• Y.Bengio, Y.LeCun. Scaling learning algorithms towards AI. Large-scale Kernel Machines, 2007
• K.Cranmer. Machine Learning & Likelihoos Free Inference in Particle Physics, NIPS2016
• S.Dieleman et al. Exploiting Cyclic Symmetry in Convolutional Neural Networks, CoRR, 2016
• L. de Oliveira et al., Jet-Images -- Deep Learning Edition, JHEP07, 2016
• K.Schütt et al., Quantum-Chemical Insights from Deep Tensor Neural Networks, arXiv:1609.08259
• Ossama et al. Convolutional Neural Networks for Speech Recognition, IEEE/ACM Trans. Audio, Speech, and Lang. Proc, 2014
• Z.Wang, T.Oates. Encoding Time Series as Images for Visual Inspection and Classification Using Tiled Convolutional Neural Networks, AAAI Workshop, 2015
• D.George, E.A.Huerta. Deep Neural Networks to Enable Real-time Multimessenger Astrophysics, arXiv:1701.00008 [astro-ph.IM]
• B.Li, T.Zhang, T.Xia. Vehicle Detection from 3D Lidar Using Fully Convolutional Network, CoRR, 2016• https://devblogs.nvidia.com/parallelforall/image-segmentation-using-digits-5/
• H.Zhang et al. StackGAN: Text to Photo-realistic Image Synthesis with Stacked Generative Adversarial Networks, arXiv:1612.03242
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Dr. Christoph [email protected]