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scripts/variational_bezier.yml

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+# Variational Autoencoder for compression-only shells
+# Extension of Pastrana et al. (ICLR 2025), Section 6.1
+#
+# Identical to bezier.yml except:
+# - loss.vae section with beta annealing parameters
+# - Used with model name "variational_formfinder"
+
+seed: 91
+
+generator:
+  name: "bezier_symmetric_double"
+  bounds: "saddle"
+  num_uv: 10
+  size: 10.0
+  num_points: 4
+  lerp_factor: 0.5
+
+fdm:
+  load: -0.5
+
+encoder:
+  shift: 0.0
+  hidden_layer_size: 256
+  hidden_layer_num: 3
+  activation_fn_name: "elu"
+  final_activation_fn_name: "softplus"
+
+decoder:
+  include_params_xl: True
+  hidden_layer_size: 256
+  hidden_layer_num: 3
+  activation_fn_name: "elu"
+
+loss:
+  shape:
+    include: True
+    weight: 1.0
+  residual:
+    include: True
+    weight: 1.0
+  vae:
+    # Cyclical beta annealing (Fu et al., NAACL 2019)
+    beta_max: 1.0          # Maximum KL weight (1.0 = standard ELBO)
+    cycle_length: 5000     # Steps per annealing cycle
+    warmup_ratio: 0.5      # Fraction of cycle for linear warmup
+
+optimizer:
+  name: "adam"
+  learning_rate: 3.0e-5
+  clip_norm: 0.0
+
+training:
+  steps: 10000
+  batch_size: 64