StochasticForceInference 2.0.0.post1

Stochastic Force Inference for Langevin SDEs

Stochastic Force Inference (SFI)

Infer force and diffusion fields from stochastic trajectory data.

SFI is a JAX-based Python package for learning the drift (force) and diffusion of Langevin stochastic differential equations from time-series observations. It handles both overdamped and underdamped dynamics, supports interacting particles and spatially-extended (SPDE) systems, and provides built-in diagnostics, sparse model selection, and bootstrapped validation.

Designed for experimental data. SFI is built for real experimental trajectories (tracked particles, cells, organisms, …) where no dynamical model pre-exists. Two first-class estimator families share one API: fast closed-form linear estimators that require no initial guess, and parametric estimators that model measurement noise and finite sampling explicitly — robust where real data is hard. The PASTIS information criterion rigorously identifies which terms the data actually supports. Synthetic examples in the gallery serve as runnable demonstrations.

Key features

• Two estimator families — closed-form linear estimators (infer_force_linear, seconds even on large datasets) and parametric estimators (infer_force / infer_diffusion: noise-aware likelihood fit, robust to localization error and coarse sampling, accepts nonlinear models such as neural-network drifts).
• Overdamped & underdamped inference — works with position-only data; velocities are reconstructed automatically for underdamped systems.
• Composable state functions — build force/diffusion models from monomials, custom basis functions, pair interactions, or arbitrary parametric families, all with automatic differentiation via JAX.
• Sparse model selection — Pareto-front beam search with AIC / BIC / PASTIS information criteria.
• Simulation — simulate Langevin SDEs (Euler–Maruyama) from the same model objects used for inference.
• Trajectory toolkit — mask-aware increments, synthetic degradation (noise, downsampling, data loss, motion blur), streaming for large datasets, I/O (CSV / Parquet / HDF5).
• Diagnostics — compare inferred fields to exact models, compute normalized errors, generate bootstrapped trajectories.

Installation

pip install StochasticForceInference

For development (editable install with test/doc dependencies):

git clone https://github.com/ronceray/StochasticForceInference.git
cd StochasticForceInference
pip install -e ".[dev,io]"

Note: SFI requires Python ≥ 3.11 and JAX ≥ 0.10.

Quick start

For experimental data, load your trajectories and infer directly:

import numpy as np
from SFI import OverdampedLangevinInference, TrajectoryCollection
from SFI.bases import monomials_up_to

# Load your tracked data (positions: T×d array, dt: time step)
positions = np.load("my_experiment.npz")["positions"]  # shape (T, d)
coll = TrajectoryCollection.from_arrays(X=positions, dt=0.01)

# Infer using a polynomial basis — no model needed
B = monomials_up_to(order=3, dim=2, rank="vector")
inf = OverdampedLangevinInference(coll)
inf.compute_diffusion_constant()
inf.infer_force_linear(B)
inf.sparsify_force(criterion="PASTIS")  # optional: find the minimal model
inf.print_report()

# Noisy or coarsely-sampled recordings? Use the parametric estimator
# instead: inf.infer_force(B) — it models the measurement noise natively.

For a synthetic example (useful for validation):

import jax.numpy as jnp
from jax import random

from SFI import OverdampedLangevinInference
from SFI.bases import X, monomials_up_to
from SFI.langevin import OverdampedProcess

# 1. Build a force model (Ornstein–Uhlenbeck: F = -k x) and simulate a trajectory.
#    X(dim) is the identity basis x ↦ x; theta_F holds its coefficient, so F(x) = -x.
proc = OverdampedProcess(F=X(dim=2), D=jnp.eye(2) * 0.5, theta_F=jnp.array([-1.0]))
proc.initialize(jnp.zeros(2))
coll = proc.simulate(dt=0.01, Nsteps=10_000, key=random.PRNGKey(0))

# 2. Infer from the trajectory using a generic polynomial basis
B = monomials_up_to(order=2, dim=2, rank="vector")
inf = OverdampedLangevinInference(coll)
inf.compute_diffusion_constant()
inf.infer_force_linear(B)
inf.compute_force_error()

# 3. Inspect results and validate against the known model
inf.print_report()
inf.compare_to_exact(model_exact=proc)

Documentation

Full documentation is available at stochasticforceinference.readthedocs.io, including:

• Tutorial — end-to-end walkthrough
• Examples gallery — worked examples covering sparsity, multi-particle, and SPDE inference
• Model building — composable state functions
• Trajectory handling — data ingestion, masking, degradation
• Running inference — estimator choice, overdamped/underdamped engines
• API reference — full autodoc

Package structure

Subpackage	Purpose
SFI.statefunc	Composable state functions: Basis, PSF, SF
SFI.inference	Overdamped & underdamped inference engines
SFI.trajectory	TrajectoryCollection / TrajectoryDataset
SFI.langevin	Langevin simulators (OverdampedProcess, …)
SFI.bases	Ready-made basis builders (monomials, constants, …)
SFI.integrate	Time-averaging integration engine
SFI.utils	Math helpers, formatting, plotting

For contributors and AI coding agents: see AGENTS.md for the canonical imports table, task playbooks, and "do not re-implement" guidance.

Citation

If you use SFI, please cite the software (see CITATION.cff) together with the method paper(s) relevant to the features you use. See How to cite in the documentation for the full, feature-specific list (overdamped, underdamped/ULI, trapeze, and PASTIS references).

License

MIT — see LICENSE for details.