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https://github.com/tkusmierczyk/machine_learning_demos

Notebooks and code snippets demonstrating machine learning techniques.
https://github.com/tkusmierczyk/machine_learning_demos

bayesian-optimization global-optimization machine-learning

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Notebooks and code snippets demonstrating machine learning techniques.

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# Machine Learning Demos

Notebooks and code snippets demonstrating various machine learning techniques:

9. [Three approaches for computing trace of hessian for i-th output of a PyTorch module](trace_of_hessian_for_model_output.ipynb)
* Hessian computation using autograd
* Hessian computation using Laplace library
* Trace of Hessian computation using the Hutchinson's estimator

8. [PyTorch implementation of SNGP (Spectral-normalized Neural Gaussian Process) and comparison against VBLL](sngp_pytorch.ipynb)
* Implementation of SpectralNormalization wrapper
* Implementation of RandomFeatureGaussianProcess
* Implementation of DeepResNet SNGP
* Test of replacing classification head with [VBLL layers](https://github.com/VectorInstitute/vbll/)

7. [Bias of predictive mean calculated with averages of Dropout layers](dropout_bnn_mean.ipynb)
* Compare predictive means calculated by averaging samples from a BNN vs output calculated for Dropout averages.

6. [Comparison of REINFORCE vs Gumbel-Softmax vs MDNF gradients and convergence for a simplified objective](reinforce_vs_gumbelsoftmax_gradients.ipynb)
* Optimization using REINFORCE vs reparametrization gradients (with GradientTape)
* Gumbel-Softmax relaxation for discrete variables - an illustration of a bias
* Mixture of Discrete Normalizing Flows relaxation for discrete variables

5. [Illustration of how entropy of the relaxed categorical distribution can be estimated and utilized for VI](entropy_of_relaxed_categorical_distribution.ipynb)
* Comparison (and discussion of gradients) of three estimates of the entropy/KL-term in ELBO

4. [Variational Autoencoder using Relaxed Categorical distribution](vae_relaxed_categorical.ipynb)
* Sampling from Gumbel softmax with and without straight-through
* Implementation of different approaches to estimation of KL divergence
* Training with Mnist data
* Reconstruction of digits and unconditional sampling latent codes

3. [A demonstration of Discrete Flows: Invertible Generative Models of Discrete Data](discrete_flows.ipynb)
* Arithmetic on one-hot encoded vectors
* Trainig simple discrete transformation
* MLE-training of an autoregressive flow with masked autoencoder to match a target distribution.

2. [Probabilistc Matrix Factorization model with mean-field variational inference](probabilisitc_matrix_factorization_vi.ipynb).
* Probabilistc Matrix Factorization implementation
* estimating ELBO using MC
* training using pyTorch automatic differentiation
* simple evaluation of RMSE on test subset

1. [Framing multi-output Bayesian optimization with GPyOpt](multi-task_bayesian_optimization_demo.ipynb)
* fitting individual GPs
* fitting multi-task GPs using coregionalization
* BO optimization of single function
* BO optimization of 2-task problem
* An implementation of a custom acquisition function
* Extensive visualization of the optimization process