"""Tests for Phase 2: secondary particle prediction.""" import numpy as np import pytest import torch from giant.constants import COND_DIM, K_MAX, PARTICLE_PHYS_DIM, SEC_DIM, X_DIM from giant.model.network import DenoisingMLP, SecondaryDecoder from giant.model.schedule import flow_matching_loss_secondary from giant.sample import sample_secondaries # ── helpers ────────────────────────────────────────────────────────────────── def _stage1(pdg=3, mat=2, conditioning="embedding"): return DenoisingMLP( pdg_vocab=pdg, mat_vocab=mat, hidden_dim=32, n_blocks=2, conditioning=conditioning, ) def _sec_decoder(pdg=3, mat=2, conditioning="embedding"): return SecondaryDecoder( pdg_vocab=pdg, mat_vocab=mat, hidden_dim=32, n_blocks=2, conditioning=conditioning, ) def _cond(B=8, pdg=3, mat=2): cond_cont = torch.randn(B, COND_DIM) cond_cat = torch.stack( [torch.randint(0, pdg, (B,)), torch.randint(0, mat, (B,))], dim=1 ) return cond_cont, cond_cat # ── DenoisingMLP Phase-2 additions ─────────────────────────────────────────── def test_predict_n_sec_shape(): B = 8 model = _stage1() cond_cont, cond_cat = _cond(B) logits = model.predict_n_sec(cond_cont, cond_cat) assert logits.shape == (B, K_MAX + 1) def test_predict_n_sec_no_nan(): B = 8 model = _stage1() cond_cont, cond_cat = _cond(B) logits = model.predict_n_sec(cond_cont, cond_cat) assert torch.isfinite(logits).all() @pytest.mark.parametrize("conditioning", ["embedding", "physical"]) def test_no_pdg_embedding_weight_method(conditioning): """The Stage-2 species output no longer needs a shared embedding table.""" model = _stage1(pdg=5, mat=2, conditioning=conditioning) assert not hasattr(model, "pdg_embedding_weight") def test_condition_encoder_physical_mode_has_no_embedding_tables(): model = _stage1(pdg=5, mat=2, conditioning="physical") assert not hasattr(model.cond_enc, "pdg_emb") assert not hasattr(model.cond_enc, "mat_emb") assert hasattr(model.cond_enc, "particle_mlp") assert hasattr(model.cond_enc, "material_mlp") def test_condition_encoder_embedding_mode_has_embedding_tables(): model = _stage1(pdg=5, mat=2, conditioning="embedding") assert hasattr(model.cond_enc, "pdg_emb") assert hasattr(model.cond_enc, "mat_emb") assert not hasattr(model.cond_enc, "particle_mlp") # ── SecondaryDecoder ────────────────────────────────────────────────────────── @pytest.mark.parametrize("conditioning", ["embedding", "physical"]) def test_sec_decoder_output_shape(conditioning): B = 8 decoder = _sec_decoder(conditioning=conditioning) x_t = torch.randn(B, SEC_DIM) t = torch.rand(B) cond_cont, cond_cat = _cond(B) stage1_out = torch.randn(B, X_DIM) out = decoder(x_t, t, cond_cont, cond_cat, stage1_out) assert out.shape == (B, SEC_DIM) def test_sec_decoder_no_nan(): B = 4 decoder = _sec_decoder() x_t = torch.randn(B, SEC_DIM) t = torch.rand(B) cond_cont, cond_cat = _cond(B) stage1_out = torch.randn(B, X_DIM) out = decoder(x_t, t, cond_cont, cond_cat, stage1_out) assert torch.isfinite(out).all() def test_sec_decoder_gradients(): B = 4 decoder = _sec_decoder() x_t = torch.randn(B, SEC_DIM) t = torch.rand(B) cond_cont, cond_cat = _cond(B) stage1_out = torch.randn(B, X_DIM) decoder(x_t, t, cond_cont, cond_cat, stage1_out).sum().backward() for name, p in decoder.named_parameters(): assert p.grad is not None, f"no grad for {name}" # ── masked flow matching loss ───────────────────────────────────────────────── def test_flow_matching_loss_secondary_scalar(): B, pdg, mat = 8, 3, 2 decoder = _sec_decoder(pdg, mat) x1 = torch.randn(B, SEC_DIM) cond_cont, cond_cat = _cond(B, pdg, mat) stage1_out = torch.randn(B, X_DIM) sec_mask = torch.ones(B, K_MAX, dtype=torch.bool) loss = flow_matching_loss_secondary( decoder, x1, cond_cont, cond_cat, stage1_out, sec_mask ) assert loss.shape == () assert loss.item() >= 0.0 def test_flow_matching_loss_secondary_mask_zeros_padding(): """Loss with all-zero mask (no valid secondaries) should be 0.""" B, pdg, mat = 4, 3, 2 decoder = _sec_decoder(pdg, mat) x1 = torch.randn(B, SEC_DIM) cond_cont, cond_cat = _cond(B, pdg, mat) stage1_out = torch.randn(B, X_DIM) sec_mask = torch.zeros(B, K_MAX, dtype=torch.bool) loss = flow_matching_loss_secondary( decoder, x1, cond_cont, cond_cat, stage1_out, sec_mask ) assert loss.item() == pytest.approx(0.0, abs=1e-6) def test_flow_matching_loss_secondary_has_grad(): B, pdg, mat = 4, 3, 2 decoder = _sec_decoder(pdg, mat) x1 = torch.randn(B, SEC_DIM) cond_cont, cond_cat = _cond(B, pdg, mat) stage1_out = torch.randn(B, X_DIM) sec_mask = torch.ones(B, K_MAX, dtype=torch.bool) flow_matching_loss_secondary( decoder, x1, cond_cont, cond_cat, stage1_out, sec_mask ).backward() assert any(p.grad is not None for p in decoder.parameters()) # ── sampling ────────────────────────────────────────────────────────────────── def test_sample_secondaries_shapes(): B, pdg, mat = 6, 3, 2 decoder = _sec_decoder(pdg, mat) cond_cont, cond_cat = _cond(B, pdg, mat) stage1_out = torch.randn(B, X_DIM) n_sec_pred = torch.randint(0, K_MAX + 1, (B,)) sec_cont, sec_phys, sec_valid = sample_secondaries( decoder, cond_cont, cond_cat, stage1_out, n_sec_pred, steps=3 ) assert sec_cont.shape == (B, K_MAX, 4) assert sec_phys.shape == (B, K_MAX, PARTICLE_PHYS_DIM) assert sec_valid.shape == (B, K_MAX) assert sec_valid.dtype == torch.bool def test_sample_secondaries_valid_mask_matches_n_sec(): B, pdg, mat = 4, 3, 2 decoder = _sec_decoder(pdg, mat) cond_cont, cond_cat = _cond(B, pdg, mat) stage1_out = torch.randn(B, X_DIM) n_sec_pred = torch.tensor([0, 1, 3, K_MAX]) _, _, sec_valid = sample_secondaries( decoder, cond_cont, cond_cat, stage1_out, n_sec_pred, steps=2 ) for i, n in enumerate(n_sec_pred.tolist()): assert sec_valid[i, :n].all() assert not sec_valid[i, n:].any() # ── encode_secondaries round-trip ───────────────────────────────────────────── def test_encode_secondaries_energy_conservation(): """Decoded stick-breaking fractions must sum to ≈ e_sec.""" from giant.data.transforms import encode_secondaries rng = np.random.default_rng(42) N = 50 n_sec = rng.integers(1, 5, size=N) e_sec = rng.uniform(0.1, 10.0, size=N).astype(np.float32) sec_E_list = np.zeros((N, K_MAX), dtype=np.float32) sec_dir_list = np.zeros((N, K_MAX, 3), dtype=np.float32) sec_dir_list[:, :, 2] = 1.0 sec_pdg_list = np.zeros((N, K_MAX), dtype=np.int64) sec_valid = np.zeros((N, K_MAX), dtype=bool) for i in range(N): k = n_sec[i] energies = rng.dirichlet(np.ones(k)) * e_sec[i] energies = np.sort(energies)[::-1] sec_E_list[i, :k] = energies.astype(np.float32) sec_valid[i, :k] = True sec_pdg_list[i, :k] = 22 # photon — resolvable by giant.particles pre_dir = rng.standard_normal((N, 3)).astype(np.float32) pre_dir /= np.linalg.norm(pre_dir, axis=1, keepdims=True) sec_cont = encode_secondaries( sec_E_list, sec_dir_list, sec_valid, e_sec, pre_dir, sec_pdg_list=sec_pdg_list ) assert sec_cont.shape == (N, K_MAX, 6) assert np.isfinite(sec_cont).all() def test_encode_secondaries_direction_encoding(): """Local-frame secondary directions should be unit vectors for valid slots.""" from giant.data.transforms import encode_secondaries rng = np.random.default_rng(7) N = 20 e_sec = np.ones(N, dtype=np.float32) * 5.0 sec_E_list = np.zeros((N, K_MAX), dtype=np.float32) sec_E_list[:, 0] = 3.0 sec_E_list[:, 1] = 2.0 sec_dir_list = rng.standard_normal((N, K_MAX, 3)).astype(np.float32) norms = np.linalg.norm(sec_dir_list, axis=-1, keepdims=True) sec_dir_list /= np.where(norms > 0, norms, 1.0) sec_valid = np.zeros((N, K_MAX), dtype=bool) sec_valid[:, :2] = True pre_dir = np.tile([0.0, 0.0, 1.0], (N, 1)).astype(np.float32) sec_cont = encode_secondaries(sec_E_list, sec_dir_list, sec_valid, e_sec, pre_dir) # dir columns are sec_cont[:, :, 1:4] local_dirs = sec_cont[:, :2, 1:4] # (N, 2, 3) — valid slots only norms_out = np.linalg.norm(local_dirs, axis=-1) np.testing.assert_allclose(norms_out, 1.0, atol=1e-5) def test_encode_secondaries_physical_columns_without_pdg_list(): """Omitting sec_pdg_list zero-fills the physical columns (no crash).""" from giant.data.transforms import encode_secondaries N = 3 e_sec = np.ones(N, dtype=np.float32) sec_E_list = np.zeros((N, K_MAX), dtype=np.float32) sec_dir_list = np.zeros((N, K_MAX, 3), dtype=np.float32) sec_dir_list[:, :, 2] = 1.0 sec_valid = np.zeros((N, K_MAX), dtype=bool) pre_dir = np.tile([0.0, 0.0, 1.0], (N, 1)).astype(np.float32) sec_cont = encode_secondaries(sec_E_list, sec_dir_list, sec_valid, e_sec, pre_dir) np.testing.assert_allclose(sec_cont[:, :, 4:6], 0.0) def test_encode_secondaries_physical_columns_match_ground_truth_pdg(): """log_mass/charge for a valid slot match giant.particles for that PDG.""" from giant.data.transforms import encode_secondaries, log_transform from giant.particles import particle_mass_charge N = 1 e_sec = np.array([5.0], dtype=np.float32) sec_E_list = np.zeros((N, K_MAX), dtype=np.float32) sec_E_list[0, 0] = 5.0 sec_dir_list = np.zeros((N, K_MAX, 3), dtype=np.float32) sec_dir_list[0, 0] = [0, 0, 1] sec_pdg_list = np.zeros((N, K_MAX), dtype=np.int64) sec_pdg_list[0, 0] = 11 # electron sec_valid = np.zeros((N, K_MAX), dtype=bool) sec_valid[0, 0] = True pre_dir = np.array([[0.0, 0.0, 1.0]], dtype=np.float32) sec_cont = encode_secondaries( sec_E_list, sec_dir_list, sec_valid, e_sec, pre_dir, sec_pdg_list=sec_pdg_list ) mass, charge = particle_mass_charge(11) assert sec_cont[0, 0, 4] == pytest.approx(log_transform(np.array([mass]))[0]) assert sec_cont[0, 0, 5] == pytest.approx(charge) # ── decode_secondaries: exact energy conservation ──────────────────────────── def _random_sec_cont(rng, N, stick_logit_scale=1.0): sec_cont = rng.standard_normal((N, K_MAX, 6)).astype(np.float32) sec_cont[:, :, 0] *= stick_logit_scale dirs = sec_cont[:, :, 1:4] dirs /= np.linalg.norm(dirs, axis=-1, keepdims=True) return sec_cont def test_decode_secondaries_valid_slots_sum_to_e_sec(): """The valid slots' energies must sum to exactly e_sec, not just <= e_sec. Rows with n_sec=0 are excluded: there's no slot to put the budget in, so valid_sum is correctly 0 regardless of e_sec there (see test_decode_secondaries_zero_n_sec_has_zero_energy) — the shortfall in that case is handled downstream (e.g. rollout.py dumps it into edep). """ from giant.data.transforms import decode_secondaries rng = np.random.default_rng(0) N = 200 sec_cont = _random_sec_cont(rng, N) n_sec = rng.integers(0, K_MAX + 1, size=N) e_sec = rng.uniform(0.0, 50.0, size=N).astype(np.float32) pre_dir = np.tile([0.0, 0.0, 1.0], (N, 1)).astype(np.float32) sec_E, _sec_dir, _mass, _charge, sec_valid = decode_secondaries( sec_cont, n_sec, e_sec, pre_dir ) valid_sum = (sec_E * sec_valid).sum(axis=1) has_secondaries = n_sec > 0 np.testing.assert_allclose( valid_sum[has_secondaries], e_sec[has_secondaries], atol=1e-3, rtol=1e-5, ) def test_decode_secondaries_zero_n_sec_has_zero_energy(): """n_sec=0 rows get no secondaries and no forced energy assignment.""" from giant.data.transforms import decode_secondaries rng = np.random.default_rng(1) N = 10 sec_cont = _random_sec_cont(rng, N) n_sec = np.zeros(N, dtype=np.int64) e_sec = rng.uniform(1.0, 10.0, size=N).astype(np.float32) pre_dir = np.tile([0.0, 0.0, 1.0], (N, 1)).astype(np.float32) sec_E, _sec_dir, _mass, _charge, sec_valid = decode_secondaries( sec_cont, n_sec, e_sec, pre_dir ) assert not sec_valid.any() np.testing.assert_allclose(sec_E, 0.0) def test_decode_secondaries_degenerate_row_falls_back_to_even_split(): """All-zero stick fractions for the valid slots fall back to an even split.""" from giant.data.transforms import decode_secondaries rng = np.random.default_rng(2) N = 4 sec_cont = _random_sec_cont(rng, N) # Drive every valid slot's stick-breaking fraction to ~0 (huge negative logit). n_sec = np.array([0, 1, 3, K_MAX]) for i, k in enumerate(n_sec): sec_cont[i, :k, 0] = -80.0 e_sec = np.array([0.0, 4.0, 9.0, 30.0], dtype=np.float32) pre_dir = np.tile([0.0, 0.0, 1.0], (N, 1)).astype(np.float32) sec_E, _sec_dir, _mass, _charge, sec_valid = decode_secondaries( sec_cont, n_sec, e_sec, pre_dir ) for i, k in enumerate(n_sec): if k == 0: continue np.testing.assert_allclose(sec_E[i, :k], e_sec[i] / k, atol=1e-4) np.testing.assert_allclose(sec_E[i, :k].sum(), e_sec[i], atol=1e-3) def test_decode_secondaries_rescale_preserves_relative_shares(): """Rescaling should keep each valid slot's *share* of the budget unchanged. A shortfall shouldn't get dumped into whichever slot is last by energy rank — it should be spread proportionally, i.e. sec_E[i] / sec_E[j] for two valid slots must match before and after the e_sec rescale. """ from giant.data.transforms import decode_secondaries rng = np.random.default_rng(3) N = 1 sec_cont = _random_sec_cont(rng, N) n_sec = np.array([4]) pre_dir = np.array([[0.0, 0.0, 1.0]], dtype=np.float32) sec_E_small, _, _, _, sec_valid = decode_secondaries( sec_cont, n_sec, np.array([5.0], dtype=np.float32), pre_dir ) sec_E_large, _, _, _, _ = decode_secondaries( sec_cont, n_sec, np.array([50.0], dtype=np.float32), pre_dir ) ratio_small = sec_E_small[0, :4] / sec_E_small[0, 0] ratio_large = sec_E_large[0, :4] / sec_E_large[0, 0] np.testing.assert_allclose(ratio_small, ratio_large, rtol=1e-4) def test_decode_secondaries_mass_charge_round_trip_with_normalizer(): from giant.data.transforms import Normalizer, decode_secondaries, encode_secondaries N = 1 e_sec = np.array([5.0], dtype=np.float32) sec_E_list = np.zeros((N, K_MAX), dtype=np.float32) sec_E_list[0, 0] = 5.0 sec_dir_list = np.zeros((N, K_MAX, 3), dtype=np.float32) sec_dir_list[0, 0] = [0, 0, 1] sec_pdg_list = np.zeros((N, K_MAX), dtype=np.int64) sec_pdg_list[0, 0] = 2212 # proton sec_valid = np.zeros((N, K_MAX), dtype=bool) sec_valid[0, 0] = True pre_dir = np.array([[0.0, 0.0, 1.0]], dtype=np.float32) sec_cont = encode_secondaries( sec_E_list, sec_dir_list, sec_valid, e_sec, pre_dir, sec_pdg_list=sec_pdg_list ) norm = Normalizer() norm.mean = np.array([-2.0, 0.5], dtype=np.float32) norm.std = np.array([3.0, 1.5], dtype=np.float32) sec_cont_normed = sec_cont.copy() sec_cont_normed[:, :, 4:6] = norm.transform( sec_cont[:, :, 4:6].reshape(-1, 2) ).reshape(N, K_MAX, 2) n_sec = np.array([1]) _, _, sec_mass, sec_charge, _ = decode_secondaries( sec_cont_normed, n_sec, e_sec, pre_dir, sec_phys_normalizer=norm ) assert sec_mass[0, 0] == pytest.approx(938.27208943, abs=1e-2) assert sec_charge[0, 0] == pytest.approx(1.0, abs=1e-4)