Branin and Hartmann proxies

config/env/ccube.yaml

@@ -5,7 +5,6 @@ _target_: gflownet.envs.cube.ContinuousCube
 
 id: ccube
 continuous: True
-func: corners
 # Dimensions of hypercube
 n_dim: 2
 # Constant to restrict interval of test sets

config/env/ctorus.yaml

@@ -4,7 +4,6 @@ defaults:
 _target_: gflownet.envs.ctorus.ContinuousTorus
 
 id: ctorus
-func: sincos
 # Dimensions of hypertorus
 n_dim: 2
 policy_encoding_dim_per_angle: null

config/env/grid.yaml

@@ -4,7 +4,6 @@ defaults:
 _target_: gflownet.envs.grid.Grid
 
 id: grid
-func: corners
 # Dimensions of hypergrid
 n_dim: 2
 # Number of cells per dimension

config/env/htorus.yaml

@@ -5,7 +5,6 @@ _target_: gflownet.envs.htorus.HybridTorus
 
 id: ctorus
 continuous: True
-func: sincos
 # Dimensions of hypertorus
 n_dim: 2
 policy_encoding_dim_per_angle: null

config/env/torus.yaml

@@ -4,7 +4,6 @@ defaults:
 _target_: gflownet.envs.torus.Torus
 
 id: torus
-func: sincos
 # Dimensions of hypertorus
 n_dim: 2
 # Number of angles per dimension

config/experiments/ccube/branin.yaml

@@ -0,0 +1,75 @@
+# @package _global_
+# A configuration that works well with the Branin proxy.
+# wandb: https://wandb.ai/alexhg/Branin/runs/xlxfdc6k
+
+defaults:
+   - override /env: ccube
+   - override /gflownet: trajectorybalance
+   - override /proxy: box/branin
+   - override /logger: wandb
+   - override /user: alex
+
+# Environment
+env:
+  n_dim: 2
+  n_comp: 5
+  beta_params_min: 0.1
+  beta_params_max: 100.0
+  min_incr: 0.1
+  fixed_distr_params:
+    beta_weights: 1.0
+    beta_alpha: 10.0
+    beta_beta: 10.0
+    bernoulli_eos_prob: 0.1
+    bernoulli_bts_prob: 0.1
+  random_distr_params:
+    beta_weights: 1.0
+    beta_alpha: 10.0
+    beta_beta: 10.0
+    bernoulli_eos_prob: 0.1
+    bernoulli_bts_prob: 0.1
+  reward_func: identity
+
+# GFlowNet hyperparameters
+gflownet:
+  random_action_prob: 0.1
+  optimizer:
+    batch_size:
+      forward: 100
+    lr: 0.0001
+    z_dim: 16
+    lr_z_mult: 100
+    n_train_steps: 10000
+
+# Policy
+policy:
+  forward:
+    type: mlp
+    n_hid: 128
+    n_layers: 2
+    checkpoint: forward
+  backward:
+    shared_weights: True
+    checkpoint: backward
+
+# WandB
+logger:
+  do:
+    online: true
+  lightweight: True
+  project_name: "branin"
+  tags: 
+    - gflownet
+    - continuous
+    - ccube
+    - branin
+  test:
+    period: 500
+    n: 1000
+  checkpoints:
+    period: 500
+
+# Hydra
+hydra:
+  run:
+    dir: ${user.logdir.root}/ccube/branin/${now:%Y-%m-%d_%H-%M-%S}

config/experiments/ccube/corners.yaml

@@ -5,7 +5,7 @@
 defaults:
    - override /env: ccube
    - override /gflownet: trajectorybalance
-   - override /proxy: corners
+   - override /proxy: box/corners
    - override /logger: wandb
    - override /user: alex
 

config/experiments/ccube/hartmann.yaml

@@ -0,0 +1,78 @@
+# @package _global_
+# A configuration that works well with the Hartmann proxy.
+# wandb: https://wandb.ai/alexhg/Hartmann/runs/9l4ry4gm
+
+defaults:
+   - override /env: ccube
+   - override /gflownet: trajectorybalance
+   - override /proxy: box/hartmann
+   - override /logger: wandb
+   - override /user: alex
+
+# Environment
+env:
+  n_dim: 6
+  n_comp: 5
+  beta_params_min: 0.1
+  beta_params_max: 100.0
+  min_incr: 0.1
+  fixed_distr_params:
+    beta_weights: 1.0
+    beta_alpha: 10.0
+    beta_beta: 10.0
+    bernoulli_eos_prob: 0.1
+    bernoulli_bts_prob: 0.1
+  random_distr_params:
+    beta_weights: 1.0
+    beta_alpha: 10.0
+    beta_beta: 10.0
+    bernoulli_eos_prob: 0.1
+    bernoulli_bts_prob: 0.1
+  reward_func: identity
+
+# GFlowNet hyperparameters
+gflownet:
+  random_action_prob: 0.1
+  optimizer:
+    batch_size:
+      forward: 100
+    lr: 0.0001
+    z_dim: 16
+    lr_z_mult: 100
+    n_train_steps: 10000
+
+# Policy
+policy:
+  forward:
+    type: mlp
+    n_hid: 256
+    n_layers: 3
+    checkpoint: forward
+  backward:
+    shared_weights: False
+    type: mlp
+    n_hid: 256
+    n_layers: 3
+    checkpoint: backward
+
+# WandB
+logger:
+  do:
+    online: true
+  lightweight: True
+  project_name: "hartmann"
+  tags: 
+    - gflownet
+    - continuous
+    - ccube
+    - hartmann
+  test:
+    period: 500
+    n: 1000
+  checkpoints:
+    period: 500
+
+# Hydra
+hydra:
+  run:
+    dir: ${user.logdir.root}/ccube/hartmann/${now:%Y-%m-%d_%H-%M-%S}

config/experiments/ccube/hyperparams_search_20230920_batch1.yaml

@@ -27,7 +27,7 @@ shared:
           output_csv: ccube_test.csv
           output_pkl: ccube_test.pkl
     # Proxy
-    proxy: corners
+    proxy: box/corners
     # GFlowNet config
     gflownet:
       __value__: trajectorybalance

config/experiments/ccube/hyperparams_search_20230920_batch2.yaml

@@ -27,7 +27,7 @@ shared:
           output_csv: ccube_test.csv
           output_pkl: ccube_test.pkl
     # Proxy
-    proxy: corners
+    proxy: box/corners
     # GFlowNet config
     gflownet:
       __value__: trajectorybalance

config/experiments/ccube/hyperparams_search_20230920_batch3.yaml

@@ -27,7 +27,7 @@ shared:
           output_csv: ccube_test.csv
           output_pkl: ccube_test.pkl
     # Proxy
-    proxy: corners
+    proxy: box/corners
     # GFlowNet config
     gflownet:
       __value__: trajectorybalance

config/experiments/ccube/hyperparams_search_20230920_batch4.yaml

@@ -27,7 +27,7 @@ shared:
           output_csv: ccube_test.csv
           output_pkl: ccube_test.pkl
     # Proxy
-    proxy: corners
+    proxy: box/corners
     # GFlowNet config
     gflownet:
       __value__: trajectorybalance

config/experiments/clatticeparams/clatticeparams_owl.yaml

@@ -3,7 +3,7 @@
 defaults:
    - override /env: crystals/clattice_parameters
    - override /gflownet: trajectorybalance
-   - override /proxy: corners
+   - override /proxy: box/corners
    - override /logger: wandb
    - override /user: alex
 

config/experiments/grid/branin.yaml

@@ -0,0 +1,70 @@
+# @package _global_
+# 100x100 grid with a configuration that works well with the Branin proxy.
+# wandb: https://wandb.ai/alexhg/Branin/runs/0ujb3hwl
+
+defaults:
+   - override /env: grid
+   - override /gflownet: trajectorybalance
+   - override /proxy: box/branin
+   - override /logger: wandb
+   - override /user: alex
+
+# Environment
+env:
+  n_dim: 2
+  length: 100
+  max_increment: 1
+  max_dim_per_action: 1
+  reward_func: identity
+  # Buffer
+  buffer:
+    train: null
+    test:
+      type: uniform
+      n: 1000
+      seed: 0
+      output_csv: grid_test.csv
+      output_pkl: grid_test.pkl
+
+# GFlowNet hyperparameters
+gflownet:
+  random_action_prob: 0.01
+  optimizer:
+    batch_size:
+      forward: 100
+    lr: 0.0001
+    z_dim: 16
+    lr_z_mult: 100
+    n_train_steps: 10000
+
+# Policy
+policy:
+  forward:
+    type: mlp
+    n_hid: 128
+    n_layers: 2
+    checkpoint: forward
+  backward:
+    shared_weights: True
+    checkpoint: backward
+
+# WandB
+logger:
+  do:
+    online: true
+  lightweight: True
+  project_name: "branin"
+  tags: 
+    - gflownet
+    - grid
+    - branin
+  test:
+    period: 500
+    n: 1000
+  checkpoints:
+    period: 500
+
+# Hydra
+hydra:
+  run:
+    dir: ${user.logdir.root}/grid/branin/${now:%Y-%m-%d_%H-%M-%S}

config/experiments/grid/hartmann.yaml

@@ -0,0 +1,73 @@
+# @package _global_
+# 10^6 grid with a configuration that works well with the Hartmann proxy.
+# wandb: https://wandb.ai/alexhg/Hartmann/runs/1l1y5xwb
+
+defaults:
+   - override /env: grid
+   - override /gflownet: trajectorybalance
+   - override /proxy: box/hartmann
+   - override /logger: wandb
+   - override /user: alex
+
+# Environment
+env:
+  n_dim: 6
+  length: 10
+  max_increment: 1
+  max_dim_per_action: 1
+  reward_func: identity
+  # Buffer
+  buffer:
+    train: null
+    test:
+      type: uniform
+      n: 1000
+      seed: 0
+      output_csv: grid_test.csv
+      output_pkl: grid_test.pkl
+
+# GFlowNet hyperparameters
+gflownet:
+  random_action_prob: 0.01
+  optimizer:
+    batch_size:
+      forward: 100
+    lr: 0.0001
+    z_dim: 16
+    lr_z_mult: 100
+    n_train_steps: 10000
+
+# Policy
+policy:
+  forward:
+    type: mlp
+    n_hid: 256
+    n_layers: 3
+    checkpoint: forward
+  backward:
+    shared_weights: False
+    type: mlp
+    n_hid: 256
+    n_layers: 3
+    checkpoint: backward
+
+# WandB
+logger:
+  do:
+    online: true
+  lightweight: True
+  project_name: "hartmann"
+  tags: 
+    - gflownet
+    - grid
+    - hartmann
+  test:
+    period: 500
+    n: 1000
+  checkpoints:
+    period: 500
+
+# Hydra
+hydra:
+  run:
+    dir: ${user.logdir.root}/grid/hartmann/${now:%Y-%m-%d_%H-%M-%S}