Added KF with sparse sites and related test (#18)

* Added KF with sparse sites and related test

* Update tests/integration/test_kalman_filter_with_sparse_sites.py

Co-authored-by: Vincent Adam <[email protected]>

* Incorporated suggested changes

* Update markovflow/kalman_filter.py

Co-authored-by: Vincent Adam <[email protected]>

* Update markovflow/kalman_filter.py

Co-authored-by: Vincent Adam <[email protected]>

* Incorporated PR changes

* sparse observations saved

* passing sparse sites rather than dense sites

Co-authored-by: Vincent Adam <[email protected]>

markovflow/kalman_filter.py

@@ -96,9 +96,8 @@ def _k_inv_post(self):
         # The emission matrix is tiled across the time_points, so for a time invariant matrix
         # this is equivalent to Gᵀ Σ⁻¹ G = (I_N ⊗ HᵀR⁻¹H),
         likelihood_precision = SymmetricBlockTriDiagonal(h_t_r_h)
-        _k_inv_prior = self.prior_ssm.precision
         # K⁻¹ + GᵀΣ⁻¹G
-        return _k_inv_prior + likelihood_precision
+        return self._k_inv_prior + likelihood_precision
 
     @property
     def _log_det_observation_precision(self):
@@ -495,3 +494,121 @@ def _log_det_observation_precision(self):
     def observations(self):
         """ Observation vector """
         return self.sites.means
+
+
+@tf_scope_class_decorator
+class KalmanFilterWithSparseSites(BaseKalmanFilter):
+    r"""
+    Performs a Kalman filter on a :class:`~markovflow.state_space_model.StateSpaceModel`
+    and :class:`~markovflow.emission_model.EmissionModel`, with Gaussian sites, over a time grid.
+    """
+
+    def __init__(self, state_space_model: StateSpaceModel, emission_model: EmissionModel, sites: GaussianSites,
+                 num_grid_points: int, observations_index: tf.Tensor, observations: tf.Tensor):
+        """
+        :param state_space_model: Parameterises the latent chain.
+        :param emission_model: Maps the latent chain to the observations.
+        :param sites: Gaussian sites over the observations.
+        :param num_grid_points: number of grid points.
+        :param observations_index: Index of the observations in the time grid with shape (N,).
+        :param observations: Sparse observations with shape (N, output_dim).
+        """
+        self.sites = sites
+        self.observations_index = observations_index
+        self.sparse_observations = observations
+        self.grid_shape = tf.TensorShape((num_grid_points, 1))
+        super().__init__(state_space_model, emission_model)
+
+    @property
+    def _r_inv(self):
+        """
+        Precisions of the observation model over the time grid.
+        """
+        data_sites_precision = self.sites.precisions
+        return self.sparse_to_dense(data_sites_precision, output_shape=self.grid_shape + (1,))
+
+    @property
+    def _log_det_observation_precision(self):
+        """
+        Sum of log determinant of the precisions of the observation model. It only calculates for the data_sites as
+        other sites precision is anyways zero.
+        """
+        return tf.reduce_sum(tf.linalg.logdet(self._r_inv_data), axis=-1)
+
+    @property
+    def observations(self):
+        """ Sparse observation vector """
+        return self.sparse_observations
+
+    @property
+    def _r_inv_data(self):
+        """
+        Precisions of the observation model for only the data sites.
+        """
+        return self.sites.precisions
+
+    def sparse_to_dense(self, tensor: tf.Tensor, output_shape: tf.TensorShape) -> tf.Tensor:
+        """
+        Convert a sparse tensor to a dense one on the basis of observations index, output tensor is of the output_shape.
+        """
+        return tf.scatter_nd(self.observations_index, tensor, output_shape)
+
+    def dense_to_sparse(self, tensor: tf.Tensor) -> tf.Tensor:
+        """
+        Convert a dense tensor to a sparse one on the basis of observations index.
+        """
+        tensor_shape = tensor.shape
+        expand_dims = len(tensor_shape) == 3
+
+        tensor = tf.gather_nd(tf.reshape(tensor, (-1, 1)), self.observations_index)
+        if expand_dims:
+            tensor = tf.expand_dims(tensor, axis=-1)
+        return tensor
+
+    def log_likelihood(self) -> tf.Tensor:
+        r"""
+        Construct a TensorFlow function to compute the likelihood.
+
+        For more mathematical details, look at the log_likelihood function of the parent class.
+        The main difference from the parent class are that the vector of observations is now sparse.        
+
+        :return: The likelihood as a scalar tensor (we sum over the `batch_shape`).
+        """
+        # K⁻¹ + GᵀΣ⁻¹G = LLᵀ.
+        l_post = self._k_inv_post.cholesky
+        num_data = self.observations_index.shape[0]
+
+        # Hμ [..., num_transitions + 1, output_dim]
+        marginal = self.emission.project_state_to_f(self.prior_ssm.marginal_means)
+
+        # y = obs - Hμ [..., num_transitions + 1, output_dim]
+        disp = self.sparse_to_dense(self.observations, marginal.shape) - marginal
+        disp_data = self.sparse_observations - self.dense_to_sparse(marginal)
+
+        # cst is the constant term for a gaussian log likelihood
+        cst = (
+                -0.5 * np.log(2 * np.pi) * tf.cast(self.emission.output_dim * num_data, default_float())
+        )
+
+        term1 = -0.5 * tf.reduce_sum(
+                input_tensor=tf.einsum("...op,...p,...o->...o", self._r_inv_data, disp_data, disp_data), axis=[-1, -2]
+            )
+
+        # term 2 is: ½|L⁻¹(GᵀΣ⁻¹)y|²
+        # (GᵀΣ⁻¹)y [..., num_transitions + 1, state_dim]
+        obs_proj = self._back_project_y_to_state(disp)
+
+        # ½|L⁻¹(GᵀΣ⁻¹)y|² [...]
+        term2 = 0.5 * tf.reduce_sum(
+            input_tensor=tf.square(l_post.solve(obs_proj, transpose_left=False)), axis=[-1, -2]
+        )
+
+        ## term 3 is: ½log |K⁻¹| - log |L| + ½ log |Σ⁻¹|
+        # where log |Σ⁻¹| = num_data * log|R⁻¹|
+        term3 = (
+                0.5 * self.prior_ssm.log_det_precision()
+                - l_post.abs_log_det()
+                + 0.5 * self._log_det_observation_precision
+        )
+
+        return tf.reduce_sum(cst + term1 + term2 + term3)

tests/integration/test_kalman_filter_with_sparse_sites.py

@@ -0,0 +1,69 @@
+import numpy as np
+import tensorflow as tf
+import pytest
+from gpflow.config import default_float
+
+from markovflow.kernels.matern import Matern12
+from markovflow.mean_function import LinearMeanFunction
+from markovflow.models.gaussian_process_regression import GaussianProcessRegression
+from markovflow.kalman_filter import KalmanFilterWithSparseSites, UnivariateGaussianSitesNat
+from markovflow.likelihoods import MultivariateGaussian
+
+@pytest.fixture(
+    name="time_step_homogeneous", params=[(0.01, True), (0.01, False), (0.001, True), (0.001, False)],
+)
+def _time_step_homogeneous_fixture(request):
+    return request.param
+
+
+@pytest.fixture(name="kalman_gpr_setup")
+def _setup(batch_shape, time_step_homogeneous):
+    """
+    Create a Gaussian Process model and an equivalent kalman filter model
+    with more latent states than observations. 
+    FIXME: Currently batch_shape isn't used.
+    """
+    dt, homogeneous = time_step_homogeneous
+
+    time_grid = np.arange(0.0, 1.0, dt)
+    if not homogeneous:
+        time_grid = np.sort(np.random.choice(time_grid, 50, replace=False))
+
+    time_points = time_grid[::10]
+    observations = np.sin(12 * time_points[..., None]) + np.random.randn(len(time_points), 1) * 0.1
+
+    input_data = (
+        tf.constant(time_points, dtype=default_float()),
+        tf.constant(observations, dtype=default_float()),
+    )
+
+    observation_covariance = 1.0  # Same as GPFlow default
+    kernel = Matern12(lengthscale=1.0, variance=1.0, output_dim=observations.shape[-1])
+    kernel.set_state_mean(tf.random.normal((1,), dtype=default_float()))
+    gpr_model = GaussianProcessRegression(
+            input_data=input_data,
+            kernel=kernel,
+            mean_function=LinearMeanFunction(1.1),
+            chol_obs_covariance=tf.constant([[np.sqrt(observation_covariance)]], dtype=default_float()),
+        )
+
+    prior_ssm = kernel.state_space_model(time_grid)
+    emission_model = kernel.generate_emission_model(time_grid)
+    observations_index = tf.where(tf.equal(time_grid[..., None], time_points))[:, 0][..., None]
+
+    observations -= gpr_model.mean_function(time_points)
+
+    nat1 = observations / observation_covariance
+    nat2 = (-0.5 / observation_covariance) * tf.ones_like(nat1)[..., None]
+    lognorm = tf.zeros_like(nat1)
+    sites = UnivariateGaussianSitesNat(nat1=nat1, nat2=nat2, log_norm=lognorm)
+
+    kf_sparse_sites = KalmanFilterWithSparseSites(prior_ssm, emission_model, sites, time_grid.shape[0],
+                                                  observations_index, observations)
+
+    return gpr_model, kf_sparse_sites
+
+def test_kalman_loglikelihood(with_tf_random_seed, kalman_gpr_setup):
+    gpr_model, kf_sparse_sites = kalman_gpr_setup
+
+    np.testing.assert_allclose(gpr_model.log_likelihood(), kf_sparse_sites.log_likelihood())