"""Exactness checks for the SPDE formulation -- the machinery behind Claim 2. These are *analytic* comparisons (not Monte Carlo): the SPDE propagation is linear-Gaussian, so the joint law it induces over the field at future times can be written in closed form and compared to the dense GP built from k_tHelm. """ import jax import jax.numpy as jnp import numpy as np jax.config.update("jax_enable_x64", True) from ballast.gp import posterior_ext_state from ballast.kernels import HelmParams, k_helm_mat, k_thelm_mat from ballast.spde import make_ops, temporal_matrices P = HelmParams( phi_ls=0.8, phi_var=0.5, psi_ls=0.5, psi_var=0.5, time_ls=2.5, time_var=1.0 ) def _grid(n=3): xs = jnp.linspace(-1.0, 1.0, n) X, Y = jnp.meshgrid(xs, xs, indexing="ij") return jnp.stack([X.reshape(-1), Y.reshape(-1)], -1) def _full_matrices(R, p, dt): """Explicit Phi_full = I_{2N} (x) Phi and Q_full = K_space (x) Q for the flattened state layout (i, c, b) -> i*4 + c*2 + b.""" phi, q, pinf = temporal_matrices(p.time_ls, p.time_var, dt) Ks = k_helm_mat(R, R, p) n2 = Ks.shape[0] return ( jnp.kron(jnp.eye(n2), phi), jnp.kron(Ks, q), jnp.kron(Ks, pinf), ) def _spde_joint_cov(R, p, dt, n_steps, Sigma0, mu0): """Joint mean/cov of the f-component at steps 0..n_steps under the SPDE. Propagates the Gaussian analytically: mu_{k+1} = Phi_full mu_k Var_{k+1} = Phi_full Var_k Phi_full^T + Q_full Cov(X_j,X_i) = Phi_full^{j-i} Var_i (j > i) """ Phi_f, Q_f, _ = _full_matrices(R, p, dt) d = Phi_f.shape[0] mus = [mu0] vars_ = [Sigma0] for _ in range(n_steps): mus.append(Phi_f @ mus[-1]) vars_.append(Phi_f @ vars_[-1] @ Phi_f.T + Q_f) nT = n_steps + 1 C = jnp.zeros((nT * d, nT * d)) for i in range(nT): for j in range(nT): if j >= i: blk = jnp.linalg.matrix_power(Phi_f, j - i) @ vars_[i] C = C.at[j * d : (j + 1) * d, i * d : (i + 1) * d].set(blk) else: blk = vars_[j] @ jnp.linalg.matrix_power(Phi_f, i - j).T C = C.at[j * d : (j + 1) * d, i * d : (i + 1) * d].set(blk) mu = jnp.concatenate(mus) # select the f-component (b = 0) of every (location, velocity component) sel = jnp.arange(d).reshape(-1, 2)[:, 0] sel_all = jnp.concatenate([sel + k * d for k in range(nT)]) return mu[sel_all], C[jnp.ix_(sel_all, sel_all)] def test_prior_matches_dense_gp(): """SPDE prior started at equilibrium reproduces k_tHelm exactly.""" R = _grid(3) dt, n_steps = 0.37, 4 _, _, Pinf_full = _full_matrices(R, P, dt) d = Pinf_full.shape[0] mu, C = _spde_joint_cov(R, P, dt, n_steps, Pinf_full, jnp.zeros(d)) times = jnp.arange(n_steps + 1) * dt Rr = jnp.tile(R, (n_steps + 1, 1)) tr = jnp.repeat(times, R.shape[0]) K = k_thelm_mat(Rr, tr, Rr, tr, P) np.testing.assert_allclose(mu, 0.0, atol=1e-12) np.testing.assert_allclose(C, K, rtol=1e-8, atol=1e-10) def test_posterior_sampling_is_exact_with_nongridded_observations(): """The Sec. 4.1 scheme is exact: extended-state posterior at t_m + SPDE propagation == dense GP posterior at future times, even though the observations sit at non-gridded (Lagrangian) locations. This is the core correctness claim of BALLAST's sampler, and the reason it can avoid filtering over the observation locations. """ key = jax.random.PRNGKey(0) R = _grid(3) sigma = 0.1 dt, n_steps, t_m = 0.37, 4, 1.5 # observations at random NON-grid locations, all strictly before t_m k1, k2, k3 = jax.random.split(key, 3) S_obs = jax.random.uniform(k1, (7, 2), minval=-1.4, maxval=1.4) t_obs = jax.random.uniform(k2, (7,), minval=0.0, maxval=t_m) y_obs = jax.random.normal(k3, (7, 2)) # --- SPDE route: posterior of the extended state at t_m, then propagate mean, chol = posterior_ext_state(S_obs, t_obs, y_obs, R, t_m, P, sigma, jitter=0.0) Sigma0 = chol @ chol.T mu_s, C_s = _spde_joint_cov(R, P, dt, n_steps, Sigma0, mean) # --- dense route: GP posterior directly at R x future times times = t_m + jnp.arange(n_steps + 1) * dt Rr = jnp.tile(R, (n_steps + 1, 1)) tr = jnp.repeat(times, R.shape[0]) K_oo = k_thelm_mat(S_obs, t_obs, S_obs, t_obs, P) + sigma**2 * jnp.eye(14) K_ot = k_thelm_mat(S_obs, t_obs, Rr, tr, P) K_tt = k_thelm_mat(Rr, tr, Rr, tr, P) sol = jnp.linalg.solve(K_oo, K_ot) mu_d = sol.T @ y_obs.reshape(-1) C_d = K_tt - K_ot.T @ sol np.testing.assert_allclose(mu_s, mu_d, rtol=1e-6, atol=1e-9) np.testing.assert_allclose(C_s, C_d, rtol=1e-6, atol=1e-9) def test_sampler_empirical_moments(): """End-to-end: the actual sampling code path reproduces the analytic posterior.""" from ballast.gp import sample_ext_state from ballast.spde import propagate key = jax.random.PRNGKey(2) R = _grid(2) sigma, dt, n_steps, t_m = 0.1, 0.25, 3, 1.0 ops = make_ops(R, P, dt, jitter=0.0) k1, k2, k3 = jax.random.split(key, 3) S_obs = jax.random.uniform(k1, (5, 2), minval=-1.0, maxval=1.0) t_obs = jax.random.uniform(k2, (5,), minval=0.0, maxval=t_m) y_obs = jax.random.normal(k3, (5, 2)) mean, chol = posterior_ext_state(S_obs, t_obs, y_obs, R, t_m, P, sigma, jitter=1e-12) n = 40000 keys = jax.random.split(jax.random.PRNGKey(7), n) def one(k): ka, kb = jax.random.split(k) X0 = sample_ext_state(ka, mean, chol, R.shape[0]) return propagate(X0, kb, ops, n_steps)[-1].reshape(-1) draws = jax.vmap(one)(keys) emp_mu = draws.mean(0) emp_cov = jnp.cov(draws.T) _, C_an = _spde_joint_cov( R, P, dt, n_steps, chol @ chol.T, mean ) mu_an, _ = _spde_joint_cov(R, P, dt, n_steps, chol @ chol.T, mean) d = 2 * R.shape[0] mu_last = mu_an[-d:] C_last = C_an[-d:, -d:] # Statistical tolerances: fixed rtol/atol are meaningless here because the # small off-diagonal covariance entries are dominated by Monte Carlo noise. se_mu = jnp.sqrt(jnp.diag(C_last) / n) assert jnp.all(jnp.abs(emp_mu - mu_last) < 5 * se_mu), "sample mean off" # SE of an empirical covariance entry: sqrt((C_ii C_jj + C_ij^2)/n) d_ = jnp.diag(C_last) se_cov = jnp.sqrt((d_[:, None] * d_[None, :] + C_last**2) / n) z = jnp.abs(emp_cov - C_last) / se_cov assert z.max() < 5.0, f"max z-score {z.max():.2f} between empirical and analytic cov"