--- license: cc-by-4.0 task_categories: [other] tags: [mri, diffusion-mri, monte-carlo, microstructure, replay-pack, rpk, restricted-diffusion] pretty_name: Canonical Pores — Monte-Carlo Replay Packs --- # Canonical Pores — Monte-Carlo Replay Packs Converged Monte-Carlo diffusion walks in the three geometries that have exact analytical solutions — **parallel planes, cylinders, spheres** — frozen so that **any** acquisition can be computed afterwards without re-simulating. **600 substrates**: 200 diameters per shape, **0.1–20.0 µm in 0.1 µm steps**, each walked to **T = 200 ms** at D₀ = 2.0×10⁻⁹ m²/s. One `.rpk` (safetensors) per substrate. ## What you can replay A replay pack is not a lookup table of pre-computed signals. It stores the walk itself, so the forward model is evaluated at read time: | you supply | how it is handled | exact? | |---|---|---| | **any gradient waveform** `G(t)` — PGSE, OGSE, PGSTE, CPMG-with-gradients, b-tensor (STE/PTE), arbitrary | projected onto the pack's temporal basis; the gradient phase is *linear* in position, so Parseval applies | exact for waveform content within the stored bands | | **surface relaxivity** ρ, any value | the pack's boundary-local-time channel, replayed | **exact** — not a mean-field `exp(-TE·ρ·S/V)` tag-on | | **per-compartment T₁ / T₂** | compartment map + relaxation log-weights | exact | | **any b-value, Δ, δ, direction, orientation** | consequences of the waveform above | — | There is **no short-pulse (SGP) and no Gaussian-phase approximation** anywhere in that path. That is the point of the dataset: the analytical models (`P2`–`P5`, `C2`–`C5`, `S2`–`S5` in [dmipy-fit](https://github.com/dmrai-lab/dmipy-fit)) each hold under some acquisition assumption; replay holds for the acquisition you actually ran. **Not in these packs**: susceptibility / off-resonance (no field channel), magnetization transfer, and diffusivity is fixed per pack — D₀ is baked into the walk, not a replay knob. (Time-rescaling to a different D₀ is a planned extension.) ## What has been *certified*, and what that does not mean Every substrate's replay was compared against the exact eigenmode (matrix-method) solution and sized until the worst residual met **ε = 5×10⁻³**, measured over a battery of PGSE acquisitions: (δ, Δ) ∈ {(10,20), (10,40), (10,60), (10,100), (5,40)} ms × b ∈ {1, 3, 5}×10⁹ s/m², plus a surface-relaxivity battery. Walker counts were **measured**, never extrapolated: each candidate count was replayed and compared to the analytic reference on up to five *disjoint* blocks, all of which had to pass. **That battery is where the bound was measured — it is not a limit on what the pack replays.** The distinction matters in one direction only: a waveform whose temporal content falls outside the tested spectral range (very high-frequency OGSE, pulses shorter than the save grid) is still *replayable*, but its error is not covered by the quoted ε. For these three geometries you can settle that yourself — the exact analytical model ships in dmipy-fit (`P5PlaneMatrixMethod`, `C5CylinderMatrixMethod`, `S5SphereMatrixMethod`), so any acquisition you care about can be checked directly against ground truth. That is precisely what makes this dataset the validity proof for replay on substrates where no analytic answer exists. Practical resolution limits: the save grid is n_t ∈ {2000, 4000, 8000} over 200 ms, so features finer than that grid are not resolved; and the position codec keeps K ∈ {128, 196} temporal bands, which bounds the waveform bandwidth represented. | shape | substrates | all meet ε=5e-3 | worst residual | |---|---|---|---| | plane | 200 | ✅ | see `manifest.json` | | cylinder | 200 | ✅ | see `manifest.json` | | sphere | 200 | ✅ | see `manifest.json` | Each pack carries its own certification in metadata (`grid.worst_residual`, `grid.ladder`), so no consumer has to trust this table. ## Tiers: fetch only what you need Two independent selections, and they **compose into a single contiguous byte range** — verified against HuggingFace range requests (`Accept-Ranges: bytes`, HTTP 206). **1. Precision (walkers).** Walkers are the leading axis of every per-walker tensor, and any prefix is an unbiased sub-ensemble with floor ∝ 1/√n. Each pack ships the **measured** prefix length for each floor: ```python grid["prefix_tiers"] # e.g. {"0.03": 1000, "0.02": 1000, "0.01": 1000, "0.005": 1000} ``` **2. Spatial axis.** Positions are stored as **one tensor per axis** (`pos_x`, `pos_y`, `pos_z`, each `(n_walkers, K)`), so you fetch only the components your geometry needs — a slab restricts one direction (the other two are free and analytic), a cylinder two, a sphere three. All three are always present, so rotating / b-tensor encodings that need the joint trajectory lose nothing. Measured on a 17.36 MiB pack: one axis + a 2,000-walker prefix = **0.49 MiB, a 36× reduction**. ```python from safetensors import safe_open with safe_open("cylinder/d10.00um.rpk", framework="np") as f: x = f.get_slice("pos_x")[0:2000] # one axis, coarse tier: one contiguous read ``` **Status of the two selections.** Both are real and verified at the byte level, but only one is automatic today: * **Per-diameter fetch is automatic.** The `X6` compartments resolve a fitted diameter to the two bracketing packs and download only those, so a fit transfers ~tens of MiB, never the dataset. * **Coarser-ε prefix fetch is automatic too**, via `eps=`: ```python from dmipy_fit.data.mc_replay import load_replay_family fam = load_replay_family("cylinder", 2e-9, eps=1e-2) # range-reads each pack down to its 1e-2 tier ``` Measured live on this dataset (cylinder d=13.45 µm, 50,000-row pack): ε=5e-3 moves 43.39 MiB, ε=1e-2 moves 17.36 MiB, ε=3e-2 moves **4.34 MiB** — a 10× reduction — with the delivered accuracy tracking the request. The tier count comes from `manifest.json`, so choosing one costs no transfer, and an ε with no measured tier raises rather than silently returning something coarser. `axes=` restricts which position components are fetched (1 for a slab, 2 for a cylinder's transverse plane) for a further 1.5–3×. It is **not** defaulted: rotating / b-tensor encodings need the joint trajectory, so ask for it only when your encoding is fixed-direction. ## Usage ```python from dmipy_sim import read_rpk, compile_scheme, replay_signal pack = read_rpk("cylinder/d05.00um.rpk") W = compile_scheme(G, dt, pack.meta["compression"]["K"]) # G: (n_meas, n_t, 3), any waveform E = replay_signal(pack, W) # + rho_over_D= for surface relaxivity ``` As fit compartments (`X6`), with the same parameters as their analytic siblings: ```python from dmipy_fit.signal_models.cylinder_models import C6MonteCarloReplayCylinder model = C6MonteCarloReplayCylinder() # mu, lambda_par, diameter — fetches packs on demand ``` `manifest.json` lists every substrate with its walker count, size, certified residual and prefix tiers. ## Layout ``` canonical/D0-2.00e-9/{plane,cylinder,sphere}/dum.rpk manifest.json ``` ## Citation Generated with [`dmipy-sim`](https://github.com/dmrai-lab/dmipy-sim). Please cite the dataset DOI and the dmipy-sim replay-pack reference. CC-BY-4.0.