enable xx film config (f70cba94) · Commits · HyGNN / capabilities / reflectometry

scripts/train_ntrace.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -23,7 +23,7 @@ if __name__ == "__main__":
		"optimizer": "Adam",
		"loss": "composite",
		"cache_dir": "data",
		"experiment_name": "nTrace_cu_film_6layer",
		"experiment_name": "nTrace_xx_film_6layer",
		"run_name": "d2048_h32_l6",
		"datadir": "expdata",
		}

src/tgreft/utils/data/data_loader.py

+44 −49

Original line number	Diff line number	Diff line
		@@ -85,50 +85,26 @@ def generate_data(
		# NOTE: the n-Trace model is more expressive with relaxed bounds

		# cu_film, 6 layer
		parameters_ref = np.column_stack(
		[
		np.random.uniform(5.0, 7.0, n_dataset), # electolyte_sld,
		np.random.uniform(5, 120, n_dataset), # electolyte_roughness,

		np.random.uniform(-5.0, 6.5, n_dataset), # sei_sld,
		np.random.uniform(10, 500, n_dataset), # sei_thickness,
		np.random.uniform(1, 80, n_dataset), # sei_roughness,

		np.random.uniform(-2, 6, n_dataset), # material_sld,
		np.random.uniform(10, 200, n_dataset), # material_thickness,
		np.random.uniform(1, 35, n_dataset), # material_roughness,

		np.random.uniform(6, 7, n_dataset), # cu_sld,
		np.random.uniform(20, 700, n_dataset), # cu_thickness,
		np.random.uniform(1, 35, n_dataset), # cu_roughness,

		np.random.uniform(-3.5, 0, n_dataset), # ti_sld,
		np.random.uniform(10, 100, n_dataset), # ti_thickness,
		np.random.uniform(1, 35, n_dataset), # ti_roughness,

		np.random.uniform(1, 4.2, n_dataset), # oxide_sld,
		np.random.uniform(5, 50, n_dataset), # oxide_thickness,
		np.random.uniform(1, 10, n_dataset), # oxide_roughness,
		]
		)

		# mo_film, 5 layer
		# parameters_ref = np.column_stack(
		# [
		# np.random.uniform(-1.0, 7.0, n_dataset), # electolyte_sld, I changed the lower bound to -1 to include air and H2O
		# np.random.uniform(5.0, 7.0, n_dataset), # electolyte_sld,
		# np.random.uniform(5, 120, n_dataset), # electolyte_roughness,

		# np.random.uniform(-5.0, 6.5, n_dataset), # sei_sld,
		# np.random.uniform(10, 500, n_dataset), # sei_thickness,
		# np.random.uniform(1, 80, n_dataset), # sei_roughness,

		# np.random.uniform(-2, 7, n_dataset), # bulk_3_sld,
		# np.random.uniform(-2, 6, n_dataset), # material_sld,
		# np.random.uniform(10, 200, n_dataset), # material_thickness,
		# np.random.uniform(1, 55, n_dataset), # material_roughness,
		# np.random.uniform(1, 35, n_dataset), # material_roughness,

		# np.random.uniform(2, 6, n_dataset), # bulk_2_sld,
		# np.random.uniform(6, 7, n_dataset), # cu_sld,
		# np.random.uniform(20, 700, n_dataset), # cu_thickness,
		# np.random.uniform(1, 55, n_dataset), # cu_roughness,
		# np.random.uniform(1, 35, n_dataset), # cu_roughness,

		# np.random.uniform(-3.5, 0, n_dataset), # ti_sld,
		# np.random.uniform(10, 100, n_dataset), # ti_thickness,
		# np.random.uniform(1, 35, n_dataset), # ti_roughness,

		# np.random.uniform(1, 4.2, n_dataset), # oxide_sld,
		# np.random.uniform(5, 50, n_dataset), # oxide_thickness,
		@@ -136,10 +112,10 @@ def generate_data(
		# ]
		# )

		# extended 6 layer model
		# mo_film, 5 layer
		# parameters_ref = np.column_stack(
		# [
		# np.random.uniform(-1.0, 7.0, n_dataset), # electolyte_sld, including air and H2O
		# np.random.uniform(-1.0, 7.0, n_dataset), # electolyte_sld, I changed the lower bound to -1 to include air and H2O
		# np.random.uniform(5, 120, n_dataset), # electolyte_roughness,

		# np.random.uniform(-5.0, 6.5, n_dataset), # sei_sld,
		@@ -147,16 +123,12 @@ def generate_data(
		# np.random.uniform(1, 80, n_dataset), # sei_roughness,

		# np.random.uniform(-2, 7, n_dataset), # bulk_3_sld,
		# np.random.uniform(10, 200, n_dataset), # bulk_3_thickness,
		# np.random.uniform(1, 55, n_dataset), # bulk_3_roughness,

		# np.random.uniform(2, 7, n_dataset), # bulk_2_sld,
		# np.random.uniform(20, 700, n_dataset), # bulk_2_thickness (cu_thickness),
		# np.random.uniform(1, 55, n_dataset), # bulk_2_roughness (cu_roughness),
		# np.random.uniform(10, 200, n_dataset), # material_thickness,
		# np.random.uniform(1, 55, n_dataset), # material_roughness,

		# np.random.uniform(-3.5, 7, n_dataset), # bulk_1_sld,
		# np.random.uniform(10, 200, n_dataset), # bulk_1_thickness,
		# np.random.uniform(1, 55, n_dataset), # bulk_1_roughness,
		# np.random.uniform(2, 6, n_dataset), # bulk_2_sld,
		# np.random.uniform(20, 700, n_dataset), # cu_thickness,
		# np.random.uniform(1, 55, n_dataset), # cu_roughness,

		# np.random.uniform(1, 4.2, n_dataset), # oxide_sld,
		# np.random.uniform(5, 50, n_dataset), # oxide_thickness,
		@@ -164,6 +136,29 @@ def generate_data(
		# ]
		# )

		# xx_film, 6 layer model
		parameters_ref = np.column_stack(
		[
		np.random.uniform(-1.0, 7.0, n_dataset), # electolyte_sld, including air and H2O
		np.random.uniform(5, 120, n_dataset), # electolyte_roughness,
		np.random.uniform(-5.0, 6.5, n_dataset), # sei_sld,
		np.random.uniform(10, 500, n_dataset), # sei_thickness,
		np.random.uniform(1, 80, n_dataset), # sei_roughness,
		np.random.uniform(-2, 7, n_dataset), # bulk_3_sld,
		np.random.uniform(10, 200, n_dataset), # bulk_3_thickness,
		np.random.uniform(1, 55, n_dataset), # bulk_3_roughness,
		np.random.uniform(2, 7, n_dataset), # bulk_2_sld,
		np.random.uniform(20, 700, n_dataset), # bulk_2_thickness (cu_thickness),
		np.random.uniform(1, 55, n_dataset), # bulk_2_roughness (cu_roughness),
		np.random.uniform(-3.5, 7, n_dataset), # bulk_1_sld,
		np.random.uniform(10, 200, n_dataset), # bulk_1_thickness,
		np.random.uniform(1, 55, n_dataset), # bulk_1_roughness,
		np.random.uniform(1, 4.2, n_dataset), # oxide_sld,
		np.random.uniform(5, 50, n_dataset), # oxide_thickness,
		np.random.uniform(1, 10, n_dataset), # oxide_roughness,
		]
		)

		# generate the reference rcurves
		r_curves = np.apply_along_axis(param_to_rcurve, 1, parameters_ref)
		logger.debug(f"r_curves.shape: {r_curves.shape}")