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Physics-informed machine learning framework for enforcing governing equations, and auditing physical consistency across PINNs, CFD surrogates, and other state predictors

Project description

moju — Physics-AI supervision for engineering-grade simulations

pip install moju

Moju makes AI models physically admissible and auditable. It is a lightweight framework for enforcing physics constraints during training, composing dimensionless groups and constitutive models with governing laws, and auditing how well predictions satisfy physics.

Physics you know, in the AI you train. Dimensionless scaling, constitutive models, and equation residuals in one JAX library.


Why moju?

Most Physics AI tools focus on adding a physics loss. Moju goes further:

  • Structured physics — Models, Groups, and Laws as composable building blocks (Reynolds number, viscosity, conservation equations).
  • Automatic residual constructionResidualEngine.compute_residuals(...) builds law, constitutive, and scaling residuals from your state.
  • Physics admissibility scoringaudit(log) returns per-category and overall scores so you see how well predictions satisfy the physics.
  • Works across PINNs, CFD surrogates, and other state predictors — Differentiable end-to-end; use in training loops or as a standalone audit toolkit.

The big idea

Moju treats physics as composable building blocks:

Predictions (state_pred)
        ↓
Constitutive models (Models.*) + Dimensionless groups (Groups.*)
        ↓
Governing laws (Laws.*)
        ↓
ResidualEngine.compute_residuals(...)  →  residuals
        ↓
loss = build_loss(residuals)     report = audit(engine.log)

Built-in Laws.* residuals are nondimensional: supply fields and derivatives in each law’s documented scaled sense, and use Groups.* / Models.* for dimensionless groups and constitutive recovery.

Residual conventions (ND-first):

  • Governing laws (Laws.*): PDE balance residuals in the documented nondimensional sense.
  • Constitutive implied_delta and ref_delta: always nondimensional—by default ((F - \tilde F) / (\varepsilon + |F| + |\tilde F|)) where (\tilde F) is the implied value or (F(\text{ref})). Catalog Models.* / Groups.* still evaluate physical formulas with your state keys; the logged closure tensors use that discrepancy only. Optional denominator ((\varepsilon + |\text{ref}|)) when implied_delta_ref_key / ref_delta_ref_key or {output_key}_ref is present in merged state/constants (see moju.monitor.closure_registry.apply_closure_discrepancy_normalize).
  • Scaling audits: group values are dimensionless; π-constant checks compare scaled states.

Instead of hand-wiring loss = data_loss + physics_loss, you get residuals from the engine, a physics loss from build_loss(residuals), and an admissibility report from audit(engine.log).


5-minute example

Run this after pip install moju:

import jax.numpy as jnp
from moju.monitor import ResidualEngine, build_loss, audit, MonitorConfig, AuditSpec
from moju.piratio import Models, Groups

mu0 = jnp.array(1.8e-5)
T0 = jnp.array(273.0)
S = jnp.array(110.4)

T = jnp.array(300.0)
mu = Models.sutherland_mu(T=T, mu0=mu0, T0=T0, S=S)

Re = jnp.array(10.0)
Pr = jnp.array(2.0)
Pe = Groups.pe(re=Re, pr=Pr)

cfg = MonitorConfig(
    laws=[{"name": "laplace_equation", "state_map": {"phi_laplacian": "phi_xx"}}],
    constitutive_audit=[
        AuditSpec(
            name="sutherland_mu",
            output_key="mu",
            state_map={"T": "T", "mu0": "mu0", "T0": "T0", "S": "S"},
        )
    ],
    scaling_audit=[
        AuditSpec(
            name="pe",
            output_key="Pe",
            state_map={"re": "Re", "pr": "Pr"},
        )
    ],
)

engine = ResidualEngine(config=cfg)

state_pred = {
    "phi_xx": jnp.array(0.0),
    "T": T,
    "mu0": mu0,
    "T0": T0,
    "S": S,
    "mu": mu * 1.01,
    "Re": Re,
    "Pr": Pr,
    "Pe": Pe,
}
state_ref = {
    "T": T,
    "mu0": mu0,
    "T0": T0,
    "S": S,
    "mu": mu,
    "Re": Re,
    "Pr": Pr,
    "Pe": Pe,
}

residuals = engine.compute_residuals(state_pred, state_ref=state_ref)
loss = build_loss(residuals)
report = audit(engine.log)

print("Physics loss:", float(loss))
print("Overall admissibility:", report["overall_admissibility_score"], report["overall_admissibility_level"])
print("Per category:", report["per_category"])

What you get

Moju gives you physics diagnostics, not just a loss. The audit report looks like this:

Category Score
Governing laws 0.92
Constitutive 0.94
Scaling and similarity 0.96

Overall admissibility score — geometric mean across categories (e.g. 0.94).
Overall admissibility level — derived from the overall score in [0, 1] by admissibility_level: < 0.5 Non-Admissible; 0.5–0.75 Low Admissibility; 0.75–0.95 Moderate Admissibility; > 0.95 High Admissibility (same bands for per-key scores in per_key).

Report keys: report["per_category"] (laws, constitutive, scaling), report["overall_admissibility_score"], report["overall_admissibility_level"]. Per-key RMS, R_norm, and admissibility are in report["per_key"].

Admissibility levels: (1) each residual key has its own score in per_key; (2) each category score in per_category is the geometric mean of finite per-key scores in that category (NaN/inf keys are skipped; categories with no finite keys are omitted); (3) the overall score is the geometric mean of finite category scores. Per-key RMS uses NaN-tolerant reductions where applicable so a few bad points do not poison the whole metric. New metrics use the same pipeline—for example optional π-constant checks on a scaling audit add a key scaling/<name>/pi_constant and are included in the scaling category mean. π-constant recipes exist for every registered dimensionless group (list_pi_constant_group_names()); each recipe scales selected inputs by powers of c>1 so the group value is unchanged (see moju.monitor.pi_constant_recipes). For Grashof (gr), g is fixed inside Groups.gr; the recipe only varies the other arguments. End-to-end π-constant examples: examples/cookbook_pi_constant_reynolds.py, examples/cookbook_pi_constant_prandtl.py. Turbulence-related constitutive audit cookbooks: examples/cookbook_turbulence_law_of_wall.py, examples/cookbook_turbulence_colebrook.py, examples/cookbook_constitutive_smagorinsky.py, examples/cookbook_constitutive_k_epsilon.py (k–ε νₜ), examples/cookbook_constitutive_k_omega.py (k–ω νₜ). These νₜ closures are algebraic only; full k–ε/k–ω transport belongs in Laws.* if you need PDE residuals. Implied constitutive audit (constitutive/<name>/implied_delta): compare Models.* to an alternate value in state_pred via AuditSpec.implied_value_key, or to implied_fn(state, constants) (Python-only; omitted from to_dict()). Cookbooks: examples/cookbook_constitutive_implied_ideal_gas_rho.py, examples/cookbook_constitutive_implied_power_law_fn.py.

Law-linked implied audits (default on) — For several Laws.* entries, Moju prepends matching constitutive_audit / scaling_audit rows whose implied_fn recomputes a quantity by rearranging the law using your law state_map (e.g. Fourier conductionModels.thermal_diffusivity(k,rho,cp) vs α_implied = T_t / T_laplacian). Logged implied_delta / ref_delta tensors use the default nondimensional symmetric normalization (see “Residual conventions” above). Residual keys look like constitutive/thermal_diffusivity/law_fourier_conduction/implied_delta. We do not add a separate implied row for Fo when α is already checked (same information given fixed t, L). Toggle with MonitorConfig(law_implied_audits=False) or ResidualEngine(..., law_implied_audits=False). With state_ref, ref_delta still runs for those rows (unless a spec sets include_ref_delta: false). Registry: list_laws_with_implied_diagnostics(), merge_law_implied_audit_specs, moju.monitor.law_implied_diagnostics; Studio prepends the same rows in build_studio_auto_fragment. Details: docs/law_implied_audits.md.


Use cases

  • Physics-Informed Neural Networks (PINNs) — Residuals and loss from governing equations; audit score each step.
  • CFD surrogate models — Compare to high-fidelity data via state_ref; constitutive and scaling audits.
  • Digital twins — Continuous audit of predictions against physics and data.
  • Scale-invariant modeling — Dimensionless groups (Re, Pr, Pe, …) and scaling-similarity audits.

Core concepts

Concept Meaning
Models Constitutive relationships (e.g. viscosity μ(T), density ρ(P,T)).
Groups Dimensionless quantities (Re, Pr, Pe, Ma, …).
Laws Governing equations (mass, momentum, energy, …); residuals go into build_loss.
ResidualEngine Builds state from config and optional predictions; runs laws and optional constitutive/scaling audits (ref_delta, implied_delta, optional π-constant on scaling); produces residuals and a log.
build_loss Builds a scalar physics loss from residuals (laws only).
audit Takes the engine log; returns per-key and per-category admissibility and overall score.

Installation

pip install moju

Optional extras:

  • pip install moju[ref] — xarray-based state_ref loaders and interpolation.
  • pip install moju[ref_vtk] — VTK/VTU loaders (meshio).
  • pip install moju[ref_foam] — OpenFOAM snapshot loaders (meshio).
  • pip install moju[ref_hdf5] — HDF5 loaders (h5py).
  • pip install moju[report] — PDF Physics Admissibility Report from audit(..., export_dir=...).
  • pip install moju[viz]plotly for visualize(engine.log, backend="plotly"|"none") (default plotly), with mode="training"|"test", optional spatial_law_panel, step_label, r_norm_scale="log"|"linear", figure_title, dashboard_mode, theme="light" (only supported value; light enterprise styling), baseline_score, and ResidualEngine.clear_log() between runs. The single-figure output is a decision-oriented Physics Admissibility Report with a figure title (training default Physics Admissibility Audit (model training)), header status, KPI cards, trend panel with extra y-axis headroom, category breakdown with a 95% reference line and Primary Issue only when a category is not above that bar, residual diagnostics, spatial residual fields, and summary recommendations. Pass keys=[...] or r_ref=... to subset or rescale like audit. In Jupyter or Colab, restart the kernel after upgrading or reinstalling moju so visualize loads the matching moju.monitor.visualize_plotly code.
  • pip install moju[studio] — Streamlit + Plotly for Moju Studio (streamlit run apps/moju_studio/Home.py from a source checkout; see apps/moju_studio/README.md).
  • pip install moju[studio-science] — optional HDF5 / NetCDF state uploads in Studio (h5py, xarray, netCDF4); .npz / .npy work with studio alone.
If you need… Extra Install
Reference grids / NetCDF → state_ref ref pip install moju[ref]
VTK/VTU reference ref_vtk pip install moju[ref_vtk]
OpenFOAM reference ref_foam pip install moju[ref_foam]
HDF5 reference ref_hdf5 pip install moju[ref_hdf5]
PDF report export report pip install moju[report]
Plotly monitoring dashboards viz pip install moju[viz]
Moju Studio (Streamlit) studio pip install moju[studio]
Studio HDF5 / NetCDF uploads studio-science pip install moju[studio-science]
PyTorch ↔ JAX law bridge torch pip install moju[torch]

Troubleshooting import errors

  • ImportError for xarray, h5py, plotly, streamlit, reportlab, …
    Install the matching extra from the table above (e.g. moju[ref] for xarray loaders, moju[studio-science] for Studio HDF5/NetCDF). Core pip install moju only pulls JAX and NumPy.

  • ValueError: numpy.dtype size changed or similar when importing an optional package
    Usually a binary wheel mismatch after upgrading NumPy (e.g. NumPy 2 vs extensions built for NumPy 1). Use a clean virtual environment, align versions (pip install -U numpy h5py xarray / the failing package), or reinstall the optional stack. moju.monitor.state_ref catches a broken xarray import so import moju.monitor.state_ref still loads; xarray-based helpers then raise a clear error until the environment is fixed.


Philosophy

Moju does not define physics. Moju provides a structured way to enforce and audit it. You bring your governing equations, constitutive models, and dimensionless groups; moju gives you residuals, a differentiable loss, and an admissibility score. JAX-native and fully differentiable so it fits into training loops and high-stakes workflows.


Learn more

API at a glance — Two namespaces: moju.piratio (Groups, Models, Laws, Operators) and moju.monitor (ResidualEngine, MonitorConfig, AuditSpec, audit_spec_to_engine_dict, PathBGridConfig, fill_path_b_derivatives, fill_law_fd_from_primitives, list_law_fd_supported_laws, merge_law_implied_audit_specs, list_laws_with_implied_diagnostics, law_implied_unsupported_reasons, effective_audit_specs_for_fragment, build_loss, audit, visualize(..., backend="plotly"|"none", mode="training"|"test", spatial_law_panel=..., r_norm_scale=...) for training/test dashboards, pretty_residual_key / pretty_category_name for display). Law-linked implied rows follow a strict constitutive-only policy; use law_implied_unsupported_reasons() for laws pending constitutive target/model support. Constitutive/scaling closure keys include ref_delta, implied_delta, and scaling pi_constant when configured. Path B optional FD: compute_residuals(..., auto_path_b_derivatives=...) with fill_law_fd=True fills missing registered Laws.* inputs on structured grids. Use engine.required_state_keys() for introspection.

Examples

  • Quick scaling and laws: Groups.re(...), Models.ideal_gas_rho(...), Laws.mass_incompressible(u_grad) — see snippets in the full docs.
  • End-to-end NN → residuals → PDF: python examples/monitor_heat_end_to_end.py, python examples/monitor_burgers_end_to_end.py.
  • CFD snapshot → state_ref → audit: examples/cfd_snapshot_cookbook_heat_1d.py; reference loaders: examples/monitor_state_ref_from_vtu_demo.py, from_openfoam, from_hdf5.
  • Path B auto-FD (law inputs): examples/cookbook_path_b_fd_law_laplace.py (phi_laplacian fill for laplace_equation).
  • Implied constitutive audit (implied_delta): examples/cookbook_constitutive_implied_ideal_gas_rho.py, examples/cookbook_constitutive_implied_power_law_fn.py.

Paths — Path A: pass (model, params, collocation) and a state_builder to build state_pred. Path B: pass state_pred directly (e.g. from CFD or finite differences). Optional structured-grid FD: compute_residuals(..., auto_path_b_derivatives=True|PathBGridConfig) with fill_law_fd=True fills missing registered Laws.* inputs (e.g. phi_laplacian, u_grad) via law_fd_recipes. Constitutive and scaling audits use specs tied to Models.* and Groups.*: ref_delta (needs state_ref), implied_delta on constitutive specs only (AuditSpec.implied_value_key or implied_fn; implied_fn is omitted from MonitorConfig.to_dict()—use in-memory AuditSpec + ResidualEngine(config=...) or audit_spec_to_engine_dict), and π-constant checks on scaling (Path A). R_norm = RMS(r)/scale_k: default scale_k ≈ 1 for laws/ and nondimensional implied_delta / ref_delta; other audit keys and data/ use state/reference-derived scales. Optional audit(log, r_ref=...) overrides scale_k per key. Admissibility uses 1/(1+R_norm) per key.

DocsVERSIONING.md. Online docs: overview, Groups, Models, Laws, Operators.


License

MIT License. Developed by Ifimo Lab, a division of Ifimo Analytics.

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