gunflows 1.0.0

Train and sample conditional normalizing flows for high-dimensional likelihoods

gunflows

Train and sample conditional normalizing flows for high-dimensional likelihoods.

gunflows is pip install-able and has no dependency on GUNDAM or ROOT. The likelihood a flow is trained against is resolved at runtime from a dotted path (sampler_target, e.g. apps.gundam.likelihoodSampler.LikelihoodSampler), so the core library never imports a concrete backend. GUNDAM/ROOT is one such backend, used for the physics analyses this repo was built for; apps/toyllh is a second, GUNDAM-free backend that exists purely to demonstrate (and test) that gunflows works against any likelihood implementing the same small interface.

Install

pip install .          # from a checkout of this repo

Requires Python >= 3.9. Pulls in torch, hydra-core, omegaconf, numpy, scipy, matplotlib, normflows. No GUNDAM, no ROOT, no container needed for the core library or the toy-likelihood demo.

To run against GUNDAM instead, you additionally need a GUNDAM/ROOT environment (see env/ for the Apptainer image used on the cluster, and setup_scripts/ for baobab-specific install helpers) — apps/gundam is the only place in the codebase that imports GUNDAM/ROOT directly.

Quickstart

See examples/toy_llh_walkthrough.ipynb for a runnable, step-by-step notebook (dataset → model → train → sample) using the GUNDAM-free ToyLLH backend.

Minimal shape of the API:

from gunflows.dataset import StreamingDataset
from gunflows.utils.build_flow import build_base, build_flow_layers, build_model
from gunflows.losses.importance_losses import kl_symmetric

dataset = StreamingDataset(
    phase_space_dim=list(range(50, 60)),
    with_sampler=True,
    sampler_target="apps.toyllh.likelihood.ToyLLH",
    llh_config="toy",
)
base = build_base(dataset.ndim)
flows = build_flow_layers(nflows=8, dim_spline=10, hidden=128, nlayers=1, nbins=12,
                           tail_bounds=..., n_context=dataset.ndim - 10)
model = build_model(base, flows, dataset, device="cpu")

Or use the Hydra CLI entry points directly from a repo checkout:

python -m apps.train experiment=toy_llh                 # train
python -m apps.sample experiment=toy_llh ...             # sample from a checkpoint
python -m apps.mcmc likelihood.sampler_target=apps.toyllh.likelihood.ToyLLH ...

apps/ (the CLI entry points, Hydra configs, and the two likelihood backends) is not part of the pip package — it's meant to be run from a repo checkout, importing the installed gunflows library. This mirrors how you'd plug in your own likelihood: write a class matching gunflows.likelihood_sampler.base.LikelihoodSamplerProtocol and point sampler_target at it.

Repo layout

src/gunflows/           the pip-installable library
  dataset/              StreamingDataset (background sampler workers + on-disk batches)
  flows/                SystematicFlow: CovFlow (fixed Gaussian base) + ContextFlow + spline flows
  losses/                importance-weighted forward/reverse/symmetric KL losses
  trainer/               StreamingTrainer: epoch loop, dataset refresh/re-split, NF-bootstrap staging
  likelihood_sampler/    NFSamplerProcess (background worker), MCMC engine, backend protocol
  utils/                 flow-building helpers

apps/                    Hydra CLI entry points + likelihood backends (not pip-installed)
  train.py, sample.py, mcmc.py
  gundam/                GUNDAM/ROOT-backed LikelihoodSampler (the only GUNDAM import site)
  toyllh/                GUNDAM-free demo likelihood (60 iid dims: 50 Gaussian + 10 skew-normal)

configs/                 Hydra config groups (dataset/model/trainer/experiment/...)
examples/                toy_llh_walkthrough.ipynb — quickstart notebook
tests/                   pytest suite
bash/                    SLURM submit scripts for cluster training runs

Pluggable likelihood interface

Any object with this shape can be used as sampler_target, without src/gunflows importing it by name (see gunflows.likelihood_sampler.base):

• get_parameter_names() -> list[str]
• inject_params_and_compute_likelihood(params, extend_continue=False) -> (nll, _, _)
• postfit_parameter_values, postfit_covariance_matrix — used as the reference point/covariance for the initial Gaussian proposal and for standardization

apps/toyllh/likelihood.py is the minimal reference implementation of this interface; apps/gundam/likelihoodSampler.py is the GUNDAM/ROOT one.

Tests

pytest tests/