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v0.10.0
Heterogeneous-operator completion, matrix-free sparsity, ResDMD MVP,
classical DMD peers, and topology-blind VAMP-2 precursor. Homogeneous
defaults and the 0.9 RelGraph hetero path remain the baseline; shared-(d)
bit-compat is preserved where rectangular maps are not requested.
Added
- Windowed hetero
fit, opt-in reverse-relation synthesis
(synthesize_reverse_relations/synthesize_reverse_edge_types), and
continuous hetero dynamics (dynamics_mode="continuous"). - Per-type latent widths (d_\tau) with rectangular relation maps (K_r);
joint structural certificate on (\rho(K_{\mathrm{eff}})) (Gershgorin-style
bound viastability_certificate, distinct from factor-wise proxies). - Hetero parity for conformal UQ,
GraphKoopmanEnv, hierarchical models
(multiplex union-bank and typed per-type pooling; heterofituses
hold_perm), and evaluate paths; hetero orbit ties
(koopman_auto_orbits). - Operator flag
sparsity="distributed": matrix-free matvec path (Lanczos /
Arnoldi spectrum withnum_modes; multi-step Neumann / fixed-point
inverse). Distinct from multi-GPU trainer extras. - Finite-dictionary ResDMD MVP (
koopman_graph.analysis.resdmd) and
resolvent-norm grid (pseudospectra); tutorial
examples/40_resdmd_pseudospectra.ipynb. Remains separate from
diagnosticspectral_residuals. - Bayesian Laplace UQ over operator factors (
koopman_graph.uq.bayesian)
and opt-in stochastic latent dynamics; Ulam-style transfer-operator
baseline. - Dask materialization helpers (
koopman_graph.distributed.dask_prep,
[dask]extra) — prep only; no Dask training loop. - Classical DMD family peers: fbDMD, tlsDMD, optDMD, streaming DMD,
depth-2 mrDMD; EDMD Nyström / random-feature approximations. - Simplicial-1 / Hodge encode path (
encoder="simplicial"); Tier A
InvariantGeometryEncoder(rotation-invariant features; not equivariant
(K)). - Optional Tier B
E3EquivariantEncoderviae3nn([equivariance]
extra): steerable encode to invariant scalar latents for linear (K)
(still not an equivariant operator). Citations:Thomas2018TFN,
Geiger2022e3nn. - Topology-blind VAMP-2 precursor (
vamp2_score/LossWeights.vamp2,
optional[msm]deeptime oracles) — not GraphVAMPnets / MD toolchain. - Sphinx: limitations 0.11 roadmap, capabilities / architecture / FAQ /
API / tutorials updates for the 0.10 surface.
Notes
- Dense (N\cdot d) (or (\sum_\tau N_\tau d_\tau)) assembly ceilings still
apply when spectrum / inverse require a dense effective matrix; the
matrix-free path avoids assembly only undersparsity="distributed". - ResDMD MVP is finite-dictionary only (Colbrook & Townsend / related
residual DMD literature; keysColbrookTownsend2023ResDMD,
Colbrook2023ResidualDMD). Do not treatspectral_residualsas ResDMD. - VAMP-2 precursor cites Wu & Noé (
Wu2020VAMP) and Mardt et al.
(Mardt2018VAMPnets); it is not a GraphVAMPnets or MSM production stack. - 0.11 targets (high level): variable node cardinality / churn, directed
hypergraph incidence modes, public cross-topology transfer API, sheaf /
cell TDL, GraphVAMPnets + MD/MSM toolchains, Ray Train as model DDP,
isotypic symmetry / equivariant (K).