giant/tests/test_wgan.py

import torch

from giant.constants import COND_DIM, K_MAX, SEC_DIM, SEC_SLOT_DIM, X_DIM
from giant.model.network import CriticModel, Stage1Model, Stage2OneShot
from giant.model.wgan import critic_loss, generator_loss, gradient_penalty
from giant.sample import sample_secondaries_wgan, sample_wgan

PARTICLE_CFG = {"type": "physical", "emb_dim": 8, "n_layers": 1}
MATERIAL_CFG = {"type": "physical", "emb_dim": 8, "n_layers": 1}


def _cond(B=8):
    cond_cont = torch.randn(B, COND_DIM)
    cond_cat = torch.zeros(B, 2, dtype=torch.long)
    return cond_cont, cond_cat


def _small_generator():
    return Stage1Model(
        pdg_vocab=3,
        mat_vocab=2,
        particle_cfg=PARTICLE_CFG,
        material_cfg=MATERIAL_CFG,
        hidden_dim=32,
        n_res_blocks=2,
        generator="wgan",
        noise_dim=8,
        n_sec_head_k_max=K_MAX,
    )


def _small_critic():
    return CriticModel(
        pdg_vocab=3,
        mat_vocab=2,
        particle_cfg=PARTICLE_CFG,
        material_cfg=MATERIAL_CFG,
        in_dim=X_DIM,
        hidden_dim=32,
        n_res_blocks=2,
        stage="stage1",
    )


def _small_sec_generator():
    return Stage2OneShot(
        pdg_vocab=3,
        mat_vocab=2,
        particle_cfg=PARTICLE_CFG,
        material_cfg=MATERIAL_CFG,
        hidden_dim=32,
        n_res_blocks=2,
        generator="wgan",
        noise_dim=8,
    )


def _small_sec_critic():
    return CriticModel(
        pdg_vocab=3,
        mat_vocab=2,
        particle_cfg=PARTICLE_CFG,
        material_cfg=MATERIAL_CFG,
        in_dim=SEC_DIM,
        hidden_dim=32,
        n_res_blocks=2,
        stage="stage2",
    )


def _mask(B, n_sec):
    sec_mask = torch.arange(K_MAX).unsqueeze(0) < n_sec.unsqueeze(1)
    return sec_mask.unsqueeze(-1).expand(-1, -1, SEC_SLOT_DIM).reshape(B, -1).float()


# --- Stage-1 generator/critic ---


def test_wgan_generator_output_shape():
    B = 8
    model = _small_generator()
    cond_cont, cond_cat = _cond(B)
    z = torch.randn(B, model.noise_dim)
    out = model(z, cond_cont, cond_cat)
    assert out.shape == (B, X_DIM)


def test_wgan_generator_predict_n_sec_shape():
    B = 6
    model = _small_generator()
    cond_cont, cond_cat = _cond(B)
    logits = model.predict_n_sec(cond_cont, cond_cat)
    assert logits.shape == (B, K_MAX + 1)


def test_wgan_generator_gradients_flow():
    B = 4
    model = _small_generator()
    cond_cont, cond_cat = _cond(B)
    z = torch.randn(B, model.noise_dim)
    gen_loss = model(z, cond_cont, cond_cat).sum()
    nsec_loss = model.predict_n_sec(cond_cont, cond_cat).sum()
    (gen_loss + nsec_loss).backward()
    for name, p in model.named_parameters():
        assert p.grad is not None, f"no grad for {name}"


def test_critic_output_shape():
    B = 8
    critic = _small_critic()
    cond_cont, cond_cat = _cond(B)
    x = torch.randn(B, X_DIM)
    out = critic(x, cond_cont, cond_cat)
    assert out.shape == (B,)


def test_sample_wgan_shape():
    B = 6
    model = _small_generator()
    cond_cont, cond_cat = _cond(B)
    sample, n_sec = sample_wgan(model, cond_cont, cond_cat)
    assert sample.shape == (B, X_DIM)
    assert n_sec is not None and n_sec.shape == (B,)


# --- Stage-2 generator/critic ---


def test_wgan_secondary_generator_output_shape():
    B = 8
    model = _small_sec_generator()
    cond_cont, cond_cat = _cond(B)
    stage1_out = torch.randn(B, X_DIM)
    z = torch.randn(B, model.noise_dim)
    out = model(z, cond_cont, cond_cat, stage1_out)
    assert out.shape == (B, SEC_DIM)


def test_secondary_critic_output_shape():
    B = 8
    critic = _small_sec_critic()
    cond_cont, cond_cat = _cond(B)
    stage1_out = torch.randn(B, X_DIM)
    x = torch.randn(B, SEC_DIM)
    out = critic(x, cond_cont, cond_cat, stage1_out)
    assert out.shape == (B,)


def test_sample_secondaries_wgan_shape():
    B = 5
    model = _small_sec_generator()
    cond_cont, cond_cat = _cond(B)
    stage1_out = torch.randn(B, X_DIM)
    n_sec_pred = torch.randint(0, K_MAX, (B,))
    sec_cont, sec_phys, sec_valid = sample_secondaries_wgan(
        model, cond_cont, cond_cat, stage1_out, n_sec_pred
    )
    assert sec_cont.shape == (B, K_MAX, 4)
    assert sec_phys.shape == (B, K_MAX, 2)
    assert sec_valid.shape == (B, K_MAX)


# --- Losses ---


def test_gradient_penalty_nonneg():
    B = 8
    critic = _small_critic()
    cond_cont, cond_cat = _cond(B)
    real = torch.randn(B, X_DIM)
    fake = torch.randn(B, X_DIM)
    gp = gradient_penalty(lambda x: critic(x, cond_cont, cond_cat), real, fake)
    assert gp.item() >= 0.0
    assert gp.shape == ()


def test_gradient_penalty_masked():
    B = 8
    sec_critic = _small_sec_critic()
    cond_cont, cond_cat = _cond(B)
    stage1_out = torch.randn(B, X_DIM)
    n_sec = torch.randint(0, K_MAX, (B,))
    mask = _mask(B, n_sec)
    real = torch.randn(B, SEC_DIM) * mask
    fake = torch.randn(B, SEC_DIM) * mask
    gp = gradient_penalty(
        lambda x: sec_critic(x, cond_cont, cond_cat, stage1_out), real, fake, mask=mask
    )
    assert gp.item() >= 0.0


def test_critic_loss_scalar_and_grad():
    B = 8
    critic = _small_critic()
    cond_cont, cond_cat = _cond(B)
    real = torch.randn(B, X_DIM)
    fake = torch.randn(B, X_DIM)
    loss = critic_loss(
        lambda x: critic(x, cond_cont, cond_cat), real, fake.detach(), gp_weight=10.0
    )
    assert loss.shape == ()
    loss.backward()
    assert any(p.grad is not None for p in critic.parameters())


def test_generator_loss_scalar_and_grad():
    B = 4
    generator = _small_generator()
    critic = _small_critic()
    cond_cont, cond_cat = _cond(B)
    z = torch.randn(B, generator.noise_dim)
    fake = generator(z, cond_cont, cond_cat)
    loss = generator_loss(lambda x: critic(x, cond_cont, cond_cat), fake)
    assert loss.shape == ()
    loss.backward()
    assert any(p.grad is not None for p in generator.parameters())