Implement Phase 1: full data pipeline, model, training, and config support
- Data pipeline: loader (parquet→numpy), transforms (log, local-frame Rodrigues rotation, Normalizer), StepsDataset with event-ID-based split - Model: SinusoidalEmbedding, ConditionEncoder, ResBlock, DenoisingMLP - Schedule: cosine DDPM and conditional flow matching loss (Lipman 2022) - Samplers: flow (Euler ODE), DDPM ancestral, DDIM deterministic - Training loop: AdamW + cosine LR, grad clipping, best-val checkpoint - Validation: per-dimension marginal summary (normalised space) - CLI: TOML config support with CLI-overrides; hyperparam-encoded output directory; config.toml with git hash saved into each run's checkpoint dir - 21 unit tests covering transforms, network, flow/DDPM losses, dataset splits Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
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# DDPM, DDIM, and flow matching samplers.
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import torch
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@torch.no_grad()
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def sample_flow(
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model: torch.nn.Module,
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cond_cont: torch.Tensor,
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cond_cat: torch.Tensor,
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steps: int = 10,
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) -> torch.Tensor:
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"""Euler integration of the learned vector field from t=0 to t=1."""
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model.eval()
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B = cond_cont.size(0)
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device = cond_cont.device
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x = torch.randn(B, 6, device=device)
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dt = 1.0 / steps
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for i in range(steps):
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t = torch.full((B,), i * dt, device=device)
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v = model(x, t, cond_cont, cond_cat)
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x = x + v * dt
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return x
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@torch.no_grad()
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def sample_ddpm(
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model: torch.nn.Module,
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cond_cont: torch.Tensor,
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cond_cat: torch.Tensor,
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schedule,
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) -> torch.Tensor:
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"""Full DDPM ancestral sampling (T reverse steps)."""
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model.eval()
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B = cond_cont.size(0)
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device = cond_cont.device
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x = torch.randn(B, 6, device=device)
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T = schedule.T
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for i in reversed(range(T)):
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t_norm = torch.full((B,), i / T, device=device)
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eps_pred = model(x, t_norm, cond_cont, cond_cat)
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beta = schedule.betas[i]
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alpha = schedule.alphas[i]
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alpha_bar = schedule.alpha_bars[i]
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z = torch.randn_like(x) if i > 0 else torch.zeros_like(x)
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x = (
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(1.0 / alpha.sqrt())
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* (x - (1.0 - alpha) / (1.0 - alpha_bar).sqrt() * eps_pred)
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+ beta.sqrt() * z
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)
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return x
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@torch.no_grad()
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def sample_ddim(
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model: torch.nn.Module,
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cond_cont: torch.Tensor,
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cond_cat: torch.Tensor,
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schedule,
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steps: int = 50,
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) -> torch.Tensor:
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"""DDIM deterministic sampling (Song et al. 2020) with `steps` substeps."""
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model.eval()
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B = cond_cont.size(0)
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device = cond_cont.device
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T = schedule.T
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timesteps = torch.linspace(T - 1, 0, steps, dtype=torch.long, device=device)
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x = torch.randn(B, 6, device=device)
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for step_idx, ts in enumerate(timesteps):
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t_idx = int(ts.item())
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t_norm = torch.full((B,), t_idx / T, device=device)
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eps_pred = model(x, t_norm, cond_cont, cond_cat)
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ab_t = schedule.alpha_bars[t_idx]
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if step_idx + 1 < len(timesteps):
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ab_prev = schedule.alpha_bars[int(timesteps[step_idx + 1].item())]
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else:
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ab_prev = torch.ones(1, device=device)
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x0_pred = (x - (1.0 - ab_t).sqrt() * eps_pred) / ab_t.sqrt()
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x = ab_prev.sqrt() * x0_pred + (1.0 - ab_prev).sqrt() * eps_pred
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return x
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