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gpvolve.cluster

PCCA+ metastable clustering.

  • pcca_plus(matrix, n_clusters, *, max_iter=100, tol=1e-8) -> NDArray[float64] Returns the (n, n_clusters) row-stochastic membership matrix chi. Rows non-negative, sum to 1.

  • metastable_sets(chi) -> list[NDArray[int64]] Hard argmax assignment per cluster.

  • crisp_assignments(chi) -> NDArray[int64] Argmax cluster label per state.

  • coarse_grain(matrix, chi, *, stationary=None) -> NDArray[float64] Galerkin-projected (k, k) coarse-grained transition matrix.