[WIP] implementation of low rank ot via factor relaxation paper

RELEASES.md

@@ -8,6 +8,7 @@
 - Automatic PR labeling and release file update check (PR #704)
 - Reorganize sub-module `ot/lp/__init__.py` into separate files (PR #714)
 - Fix documentation in the module `ot.gaussian` (PR #718)
+- Implement low rank through Factor Relaxation with Latent Coupling (PR #719)
 
 #### Closed issues
 - Fixed `ot.mapping` solvers which depended on deprecated `cvxpy` `ECOS` solver (PR #692, Issue #668)

ot/low_rank/__init__.py

@@ -0,0 +1,12 @@
+# -*- coding: utf-8 -*-
+"""
+Low rank Solvers
+"""
+
+# Author: Yessin Moakher <[email protected]>
+#
+# License: MIT License
+
+from ._factor_relaxation import solve_balanced_FRLC
+
+__all__ = ["solve_balanced_FRLC"]

ot/low_rank/_factor_relaxation.py

@@ -0,0 +1,225 @@
+# -*- coding: utf-8 -*-
+"""
+Low rank Solvers
+"""
+
+# Author: Yessin Moakher <[email protected]>
+#
+# License: MIT License
+
+from ..utils import list_to_array
+from ..backend import get_backend
+from ..bregman import sinkhorn
+from ..unbalanced import sinkhorn_unbalanced
+
+
+def _initialize_couplings(a, b, r, nx, reg_init=1, random_state=42):
+    """Initialize the couplings Q, R, T for the Factor Relaxation algorithm."""
+
+    n = a.shape[0]
+    m = b.shape[0]
+
+    nx.seed(seed=random_state)
+    M_Q = nx.rand(n, r, type_as=a)
+    M_R = nx.rand(m, r, type_as=a)
+    M_T = nx.rand(r, r, type_as=a)
+
+    g_Q, g_R = (
+        nx.full(r, 1 / r, type_as=a),
+        nx.full(r, 1 / r, type_as=a),
+    )  # Shape (r,) and (r,)
+
+    Q = sinkhorn(a, g_Q, M_Q, reg_init, method="sinkhorn_log")
+    R = sinkhorn(b, g_R, M_R, reg_init, method="sinkhorn_log")
+    T = sinkhorn(
+        nx.dot(Q.T, nx.ones(n, type_as=a)),
+        nx.dot(R.T, nx.ones(m, type_as=a)),
+        M_T,
+        reg_init,
+        method="sinkhorn_log",
+    )
+
+    return Q, R, T
+
+
+def _compute_gradient_Q(M, Q, R, X, g_Q, nx):
+    """Compute the gradient of the loss with respect to Q."""
+
+    n = Q.shape[0]
+
+    term1 = nx.dot(
+        nx.dot(M, R), X.T
+    )  # The order of multiplications is important because r<<min{n,m}
+    term2 = nx.diag(nx.dot(nx.dot(term1.T, Q), nx.diag(1 / g_Q))).reshape(1, -1)
+    term3 = nx.dot(nx.ones((n, 1), type_as=M), term2)
+    grad_Q = term1 - term3
+
+    return grad_Q
+
+
+def _compute_gradient_R(M, Q, R, X, g_R, nx):
+    """Compute the gradient of the loss with respect to R."""
+
+    m = R.shape[0]
+
+    term1 = nx.dot(nx.dot(M.T, Q), X)
+    term2 = nx.diag(nx.dot(nx.diag(1 / g_R), nx.dot(R.T, term1))).reshape(1, -1)
+    term3 = nx.dot(nx.ones((m, 1), type_as=M), term2)
+    grad_R = term1 - term3
+
+    return grad_R
+
+
+def _compute_gradient_T(Q, R, M, g_Q, g_R, nx):
+    """Compute the gradient of the loss with respect to T."""
+
+    term_1 = nx.dot(nx.dot(Q.T, M), R)
+    return nx.dot(nx.dot(nx.diag(1 / g_Q), term_1), nx.diag(1 / g_R))
+
+
+def _compute_distance(Q_new, R_new, T_new, Q, R, T, nx):
+    """Compute the distance between the new and the old couplings."""
+
+    return (
+        nx.sum((Q_new - Q) ** 2) + nx.sum((R_new - R) ** 2) + nx.sum((T_new - T) ** 2)
+    )
+
+
+def solve_balanced_FRLC(
+    a,
+    b,
+    M,
+    r,
+    tau,
+    gamma,
+    stopThr=1e-7,
+    numItermax=1000,
+    log=False,
+):
+    r"""
+    Solve the low-rank balanced optimal transport problem using Factor Relaxation
+    with Latent Coupling and return the OT matrix.
+
+    The function solves the following optimization problem:
+
+    .. math::
+        \textbf{P} = \mathop{\arg \min}_P \quad \langle \textbf{P}, \mathbf{M} \rangle_F
+
+            \text{s.t.}  \textbf{P} = \textbf{Q} \operatorname{diag}(1/g_Q)\textbf{T}\operatorname{diag}(1/g_R)\textbf{R}^T
+
+                \textbf{Q} \in \Pi_{a,\cdot}, \quad \textbf{R} \in \Pi_{b,\cdot}, \quad \textbf{T} \in \Pi_{g_Q,g_R}
+
+                \textbf{Q}  \in \mathbb{R}^+_{n,r},\textbf{R} \in \mathbb{R}^+_{m,r},\textbf{T} \in \mathbb{R}^+_{r,r}
+
+    where:
+
+    - :math:`\mathbf{M}` is the given cost matrix.
+    - :math:`g_Q := \mathbf{Q}^T 1_n, \quad g_R := \mathbf{R}^T 1_m`.
+    - :math:`\Pi_a, \cdot := \left\{ \mathbf{P} \mid \mathbf{P} 1_m = a \right\}, \quad \Pi_{\cdot, b} := \left\{ \mathbf{P} \mid \mathbf{P}^T 1_n = b \right\}, \quad \Pi_{a,b} := \Pi_{a, \cdot} \cap \Pi_{\cdot, b}`.
+
+
+    Parameters
+    ----------
+    a : array-like, shape (n,)
+        samples weights in the source domain
+    b : array-like, shape (m,)
+        samples in the target domain
+    M : array-like, shape (n, m)
+        loss matrix
+    r : int
+        Rank constraint for the transport plan P.
+    tau : float
+        Regularization parameter controlling the relaxation of the inner marginals.
+    gamma : float
+        Step size (learning rate) for the coordinate mirror descent algorithm.
+    numItermax : int, optional
+        Max number of iterations for the mirror descent optimization.
+    stopThr : float, optional
+        Stop threshold on error (>0)
+    log : bool, optional
+        Print cost value at each iteration.
+
+    Returns
+    -------
+    P : array-like, shape (n, m)
+        The computed low-rank optimal transportion matrix.
+
+    References
+    ----------
+    [1] Halmos, P., Liu, X., Gold, J., & Raphael, B. (2024). Low-Rank Optimal Transport through Factor Relaxation with Latent Coupling.
+    In Proceedings of the Thirty-eighth Annual Conference on Neural Information Processing Systems (NeurIPS 2024).
+    """
+
+    a, b, M = list_to_array(a, b, M)
+
+    nx = get_backend(M, a, b)
+
+    n, m = M.shape
+
+    ones_n, ones_m = (
+        nx.ones(n, type_as=M),
+        nx.ones(m, type_as=M),
+    )  # Shape (n,) and (m,)
+
+    Q, R, T = _initialize_couplings(a, b, r, nx)  # Shape (n,r), (m,r), (r,r)
+    g_Q, g_R = nx.dot(Q.T, ones_n), nx.dot(R.T, ones_m)  # Shape (r,) and (r,)
+    X = nx.dot(nx.dot(nx.diag(1 / g_Q), T), nx.diag(1 / g_R))  # Shape (r,r)
+
+    for i in range(numItermax):
+        grad_Q = _compute_gradient_Q(M, Q, R, X, g_Q, nx)  # Shape (n,r)
+        grad_R = _compute_gradient_R(M, Q, R, X, g_R, nx)  # Shape (m,r)
+
+        gamma_k = gamma / max(
+            nx.max(nx.abs(grad_Q)), nx.max(nx.abs(grad_R))
+        )  # l-inf normalization
+
+        # We can parallelize the calculation of Q_new and R_new
+        Q_new = sinkhorn_unbalanced(
+            a=a,
+            b=g_Q,
+            M=grad_Q,
+            c=Q,
+            reg=1 / gamma_k,
+            reg_m=[float("inf"), tau],
+            method="sinkhorn_stabilized",
+        )
+
+        R_new = sinkhorn_unbalanced(
+            a=b,
+            b=g_R,
+            M=grad_R,
+            c=R,
+            reg=1 / gamma_k,
+            reg_m=[float("inf"), tau],
+            method="sinkhorn_stabilized",
+        )
+
+        g_Q = nx.dot(Q_new.T, ones_n)
+        g_R = nx.dot(R_new.T, ones_m)
+
+        grad_T = _compute_gradient_T(Q_new, R_new, M, g_Q, g_R, nx)  # Shape (r, r)
+
+        gamma_T = gamma / nx.max(nx.abs(grad_T))
+
+        T_new = sinkhorn_unbalanced(
+            M=grad_T,
+            a=g_Q,
+            b=g_R,
+            reg=1 / gamma_T,
+            c=T,
+            reg_m=[float("inf"), float("inf")],
+            method="sinkhorn_stabilized",
+        )  # Shape (r, r)
+
+        X_new = nx.dot(nx.dot(nx.diag(1 / g_Q), T_new), nx.diag(1 / g_R))  # Shape (r,r)
+
+        if log:
+            print(f"iteration {i} ", nx.sum(M * nx.dot(nx.dot(Q_new, X_new), R_new.T)))
+
+        if (
+            _compute_distance(Q_new, R_new, T_new, Q, R, T, nx)
+            < gamma_k * gamma_k * stopThr
+        ):
+            return nx.dot(nx.dot(Q_new, X_new), R_new.T)  # Shape (n, m)
+
+        Q, R, T, X = Q_new, R_new, T_new, X_new