Hadamard Multitask GP Regression

Introduction

This notebook demonstrates how to perform “Hadamard” multitask regression with kernels.IndexKernel.

This differs from the multitask gp regression example notebook in one key way: - Here, we assume that we want to learn one task per input. For each input, we specify the task of the input that we care about. (The kernel that we learn is expressed as a Hadamard product of an input kernel and a task kernel) - In the other notebook, we assume that we want to learn all tasks per input. (The kernel in that notebook is the Kronecker product of an input kernel and a task kernel).

Multitask regression, first introduced in this paper learns similarities in the outputs simultaneously. It’s useful when you are performing regression on multiple functions that share the same inputs, especially if they have similarities (such as being sinusodial).

Given inputs \(x\) and \(x'\), and tasks \(i\) and \(j\), the covariance between two datapoints and two tasks is given by

\begin{equation*} k([x, i], [x', j]) = k_\text{inputs}(x, x') * k_\text{tasks}(i, j) \end{equation*}

where \(k_\text{inputs}\) is a standard kernel (e.g. RBF) that operates on the inputs. \(k_\text{task)\) is a special kernel - the IndexKernel - which is a lookup table containing inter-task covariance.

In [1]:
import math
import torch
import gpytorch
from matplotlib import pyplot as plt

%matplotlib inline
%load_ext autoreload
%autoreload 2

Set up training data

In the next cell, we set up the training data for this example. We’ll be using 15 regularly spaced points on [0,1] which we evaluate the function on and add Gaussian noise to get the training labels.

We’ll have two functions - a sine function (y1) and a cosine function (y2)

In [2]:
train_x = torch.linspace(0, 1, 100)

train_y1 = torch.sin(train_x * (2 * math.pi)) + torch.randn(train_x.size()) * 0.2
train_y2 = torch.cos(train_x * (2 * math.pi)) + torch.randn(train_x.size()) * 0.2

Set up the model

The model should be somewhat similar to the ExactGP model in the simple regression example.

The differences:

  1. The model takes two input: the inputs (x) and indices. The indices indicate which task we want an output for,
  2. Rather than just using a RBFKernel, we’re using that in conjunction with a IndexKernel
  3. We don’t use a ScaleKernel, since the IndexKernel will do some scaling for us. (This way we’re not overparameterizing the kernel.)
In [3]:
class MultitaskGPModel(gpytorch.models.ExactGP):
    def __init__(self, train_x, train_y, likelihood):
        super(MultitaskGPModel, self).__init__(train_x, train_y, likelihood)
        self.mean_module = gpytorch.means.ConstantMean()
        self.covar_module = gpytorch.kernels.RBFKernel()

        # We learn an IndexKernel for 2 tasks
        # (so we'll actually learn 2x2=4 tasks with correlations)
        self.task_covar_module = gpytorch.kernels.IndexKernel(num_tasks=2, rank=1)

    def forward(self,x,i):
        mean_x = self.mean_module(x)

        # Get input-input covariance
        covar_x = self.covar_module(x)
        # Get task-task covariance
        covar_i = self.task_covar_module(i)
        # Multiply the two together to get the covariance we want
        covar = covar_x.mul(covar_i)

        return gpytorch.distributions.MultivariateNormal(mean_x, covar)

likelihood = gpytorch.likelihoods.GaussianLikelihood()

# Here we want outputs for every input and task
# This is not the most efficient model for this: it's better to use the model in the ./Multitask_GP_Regression.ipynb notebook
# Since we are learning two tasks we feed in the x_data twice, along with the
# y_data along with its indices
train_i_task1 = torch.full_like(train_x, dtype=torch.long, fill_value=0)
train_i_task2 = torch.full_like(train_x, dtype=torch.long, fill_value=1)

full_train_x = torch.cat([train_x, train_x])
full_train_i = torch.cat([train_i_task1, train_i_task2])
full_train_y = torch.cat([train_y1, train_y2])

# Here we have two iterms that we're passing in as train_inputs
model = MultitaskGPModel((full_train_x, full_train_i), full_train_y, likelihood)

Training the model

In the next cell, we handle using Type-II MLE to train the hyperparameters of the Gaussian process. The spectral mixture kernel’s hyperparameters start from what was specified in initialize_from_data.

See the simple regression example for more info on this step.

In [4]:
# Find optimal model hyperparameters
model.train()
likelihood.train()

# Use the adam optimizer
optimizer = torch.optim.Adam([
    {'params': model.parameters()},  # Includes GaussianLikelihood parameters
], lr=0.1)

# "Loss" for GPs - the marginal log likelihood
mll = gpytorch.mlls.ExactMarginalLogLikelihood(likelihood, model)

for i in range(50):
    optimizer.zero_grad()
    output = model(full_train_x, full_train_i)
    loss = -mll(output, full_train_y)
    loss.backward()
    print('Iter %d/50 - Loss: %.3f' % (i + 1, loss.item()))
    optimizer.step()
Iter 1/50 - Loss: 1.119
Iter 2/50 - Loss: 1.071
Iter 3/50 - Loss: 1.019
Iter 4/50 - Loss: 0.961
Iter 5/50 - Loss: 0.905
Iter 6/50 - Loss: 0.844
Iter 7/50 - Loss: 0.788
Iter 8/50 - Loss: 0.731
Iter 9/50 - Loss: 0.670
Iter 10/50 - Loss: 0.626
Iter 11/50 - Loss: 0.580
Iter 12/50 - Loss: 0.546
Iter 13/50 - Loss: 0.491
Iter 14/50 - Loss: 0.471
Iter 15/50 - Loss: 0.433
Iter 16/50 - Loss: 0.373
Iter 17/50 - Loss: 0.357
Iter 18/50 - Loss: 0.319
Iter 19/50 - Loss: 0.288
Iter 20/50 - Loss: 0.251
Iter 21/50 - Loss: 0.217
Iter 22/50 - Loss: 0.166
Iter 23/50 - Loss: 0.150
Iter 24/50 - Loss: 0.114
Iter 25/50 - Loss: 0.095
Iter 26/50 - Loss: 0.075
Iter 27/50 - Loss: 0.046
Iter 28/50 - Loss: 0.016
Iter 29/50 - Loss: -0.003
Iter 30/50 - Loss: -0.018
Iter 31/50 - Loss: -0.023
Iter 32/50 - Loss: -0.019
Iter 33/50 - Loss: -0.022
Iter 34/50 - Loss: -0.024
Iter 35/50 - Loss: -0.048
Iter 36/50 - Loss: -0.043
Iter 37/50 - Loss: -0.040
Iter 38/50 - Loss: -0.027
Iter 39/50 - Loss: -0.027
Iter 40/50 - Loss: -0.029
Iter 41/50 - Loss: -0.013
Iter 42/50 - Loss: -0.014
Iter 43/50 - Loss: -0.031
Iter 44/50 - Loss: 0.015
Iter 45/50 - Loss: -0.014
Iter 46/50 - Loss: -0.031
Iter 47/50 - Loss: -0.035
Iter 48/50 - Loss: -0.021
Iter 49/50 - Loss: -0.025
Iter 50/50 - Loss: -0.030

Make predictions with the model

In [5]:
# Set into eval mode
model.eval()
likelihood.eval()

# Initialize plots
f, (y1_ax, y2_ax) = plt.subplots(1, 2, figsize=(8, 3))

# Test points every 0.02 in [0,1]
test_x = torch.linspace(0, 1, 51)
tast_i_task1 = torch.full_like(test_x, dtype=torch.long, fill_value=0)
test_i_task2 = torch.full_like(test_x, dtype=torch.long, fill_value=1)

# Make predictions - one task at a time
# We control the task we cae about using the indices

# The gpytorch.fast_pred_var flag activates LOVE (for fast variances)
# See https://arxiv.org/abs/1803.06058
with torch.no_grad(), gpytorch.fast_pred_var():
    observed_pred_y1 = likelihood(model(test_x, tast_i_task1))
    observed_pred_y2 = likelihood(model(test_x, test_i_task2))

# Define plotting function
def ax_plot(ax, train_y, rand_var, title):
    # Get lower and upper confidence bounds
    lower, upper = rand_var.confidence_region()
    # Plot training data as black stars
    ax.plot(train_x.detach().numpy(), train_y.detach().numpy(), 'k*')
    # Predictive mean as blue line
    ax.plot(test_x.detach().numpy(), rand_var.mean.detach().numpy(), 'b')
    # Shade in confidence
    ax.fill_between(test_x.detach().numpy(), lower.detach().numpy(), upper.detach().numpy(), alpha=0.5)
    ax.set_ylim([-3, 3])
    ax.legend(['Observed Data', 'Mean', 'Confidence'])
    ax.set_title(title)

# Plot both tasks
ax_plot(y1_ax, train_y1, observed_pred_y1, 'Observed Values (Likelihood)')
ax_plot(y2_ax, train_y2, observed_pred_y2, 'Observed Values (Likelihood)')
../../_images/examples_03_Multitask_GP_Regression_Hadamard_Multitask_GP_Regression_9_0.png
In [ ]: