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-# -*- coding: utf-8 -*-
-"""
-Bregman projections for regularized OT with GPU
-"""
-
-# Author: Remi Flamary <remi.flamary@unice.fr>
-# Leo Gautheron <https://github.com/aje>
-#
-# License: MIT License
-
-import cupy as np # np used for matrix computation
-import cupy as cp # cp used for cupy specific operations
-from . import utils
-
-
-def sinkhorn_knopp(a, b, M, reg, numItermax=1000, stopThr=1e-9,
- verbose=False, log=False, to_numpy=True, **kwargs):
- r"""
- Solve the entropic regularization optimal transport on GPU
-
- If the input matrix are in numpy format, they will be uploaded to the
- GPU first which can incur significant time overhead.
-
- The function solves the following optimization problem:
-
- .. math::
- \gamma = arg\min_\gamma <\gamma,M>_F + reg\cdot\Omega(\gamma)
-
- s.t. \gamma 1 = a
-
- \gamma^T 1= b
-
- \gamma\geq 0
- where :
-
- - M is the (ns,nt) metric cost matrix
- - :math:`\Omega` is the entropic regularization term :math:`\Omega(\gamma)=\sum_{i,j} \gamma_{i,j}\log(\gamma_{i,j})`
- - a and b are source and target weights (sum to 1)
-
- The algorithm used for solving the problem is the Sinkhorn-Knopp matrix scaling algorithm as proposed in [2]_
-
-
- Parameters
- ----------
- a : np.ndarray (ns,)
- samples weights in the source domain
- b : np.ndarray (nt,) or np.ndarray (nt,nbb)
- samples in the target domain, compute sinkhorn with multiple targets
- and fixed M if b is a matrix (return OT loss + dual variables in log)
- M : np.ndarray (ns,nt)
- loss matrix
- reg : float
- Regularization term >0
- numItermax : int, optional
- Max number of iterations
- stopThr : float, optional
- Stop threshold on error (>0)
- verbose : bool, optional
- Print information along iterations
- log : bool, optional
- record log if True
- to_numpy : boolean, optional (default True)
- If true convert back the GPU array result to numpy format.
-
-
- Returns
- -------
- gamma : (ns x nt) ndarray
- Optimal transportation matrix for the given parameters
- log : dict
- log dictionary return only if log==True in parameters
-
-
- References
- ----------
-
- .. [2] M. Cuturi, Sinkhorn Distances : Lightspeed Computation of Optimal Transport, Advances in Neural Information Processing Systems (NIPS) 26, 2013
-
-
- See Also
- --------
- ot.lp.emd : Unregularized OT
- ot.optim.cg : General regularized OT
-
- """
-
- a = cp.asarray(a)
- b = cp.asarray(b)
- M = cp.asarray(M)
-
- if len(a) == 0:
- a = np.ones((M.shape[0],)) / M.shape[0]
- if len(b) == 0:
- b = np.ones((M.shape[1],)) / M.shape[1]
-
- # init data
- Nini = len(a)
- Nfin = len(b)
-
- if len(b.shape) > 1:
- nbb = b.shape[1]
- else:
- nbb = 0
-
- if log:
- log = {'err': []}
-
- # we assume that no distances are null except those of the diagonal of
- # distances
- if nbb:
- u = np.ones((Nini, nbb)) / Nini
- v = np.ones((Nfin, nbb)) / Nfin
- else:
- u = np.ones(Nini) / Nini
- v = np.ones(Nfin) / Nfin
-
- # print(reg)
-
- # Next 3 lines equivalent to K= np.exp(-M/reg), but faster to compute
- K = np.empty(M.shape, dtype=M.dtype)
- np.divide(M, -reg, out=K)
- np.exp(K, out=K)
-
- # print(np.min(K))
- tmp2 = np.empty(b.shape, dtype=M.dtype)
-
- Kp = (1 / a).reshape(-1, 1) * K
- cpt = 0
- err = 1
- while (err > stopThr and cpt < numItermax):
- uprev = u
- vprev = v
-
- KtransposeU = np.dot(K.T, u)
- v = np.divide(b, KtransposeU)
- u = 1. / np.dot(Kp, v)
-
- if (np.any(KtransposeU == 0) or
- np.any(np.isnan(u)) or np.any(np.isnan(v)) or
- np.any(np.isinf(u)) or np.any(np.isinf(v))):
- # we have reached the machine precision
- # come back to previous solution and quit loop
- print('Warning: numerical errors at iteration', cpt)
- u = uprev
- v = vprev
- break
- if cpt % 10 == 0:
- # we can speed up the process by checking for the error only all
- # the 10th iterations
- if nbb:
- err = np.sqrt(
- np.sum((u - uprev)**2) / np.sum((u)**2)
- + np.sum((v - vprev)**2) / np.sum((v)**2)
- )
- else:
- # compute right marginal tmp2= (diag(u)Kdiag(v))^T1
- tmp2 = np.sum(u[:, None] * K * v[None, :], 0)
- #tmp2=np.einsum('i,ij,j->j', u, K, v)
- err = np.linalg.norm(tmp2 - b) # violation of marginal
- if log:
- log['err'].append(err)
-
- if verbose:
- if cpt % 200 == 0:
- print(
- '{:5s}|{:12s}'.format('It.', 'Err') + '\n' + '-' * 19)
- print('{:5d}|{:8e}|'.format(cpt, err))
- cpt = cpt + 1
- if log:
- log['u'] = u
- log['v'] = v
-
- if nbb: # return only loss
- #res = np.einsum('ik,ij,jk,ij->k', u, K, v, M) (explodes cupy memory)
- res = np.empty(nbb)
- for i in range(nbb):
- res[i] = np.sum(u[:, None, i] * (K * M) * v[None, :, i])
- if to_numpy:
- res = utils.to_np(res)
- if log:
- return res, log
- else:
- return res
-
- else: # return OT matrix
- res = u.reshape((-1, 1)) * K * v.reshape((1, -1))
- if to_numpy:
- res = utils.to_np(res)
- if log:
- return res, log
- else:
- return res
-
-
-# define sinkhorn as sinkhorn_knopp
-sinkhorn = sinkhorn_knopp