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logs/official/runs/ac/ac/.hydra/config.yaml

@@ -0,0 +1,136 @@
+task_name: official
+tags:
+- allen_cahn
+train: true
+test: true
+ckpt_path: null
+seed: 42
+print_configs_only: false
+print_model_summary_only: false
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+model:
+  dynamics:
+    potential:
+      _target_: src.models.components.spectral_onsagernet.potential.allen_cahn.AllenCahnPotential
+      Lx: 6.283185307179586
+      Nx: 256
+    _target_: src.models.components.spectral_onsagernet.SpectralOnsagerNetAllenCahn
+    method: sbdf1
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+logger:
+  csv:
+    _target_: lightning.pytorch.loggers.csv_logs.CSVLogger
+    save_dir: ${paths.output_dir}
+    name: csv/
+    prefix: ''
+  wandb:
+    _target_: lightning.pytorch.loggers.wandb.WandbLogger
+    save_dir: ${paths.output_dir}
+    offline: false
+    id: null
+    anonymous: null
+    project: meso-SIR
+    log_model: false
+    prefix: ''
+    entity: zy-li-nus-national-university-of-singapore
+    group: ''
+    tags: ${tags}
+    job_type: ''
+    notes: ac
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+paths:
+  root_dir: ${oc.env:PROJECT_ROOT}
+  data_dir: ${paths.root_dir}/data/
+  log_dir: ${paths.root_dir}/logs/
+  output_dir: ${hydra:runtime.output_dir}
+  work_dir: ${hydra:runtime.cwd}
+  the_well_base_dir: ${paths.root_dir}/data/the_well/datasets/
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true

logs/official/runs/ac/ac/.hydra/hydra.yaml

@@ -0,0 +1,180 @@
+hydra:
+  run:
+    dir: ${paths.log_dir}/${task_name}/runs/ac/ac
+  sweep:
+    dir: ${paths.log_dir}/${task_name}/multiruns/${now:%Y-%m-%d}_${now:%H-%M-%S}
+    subdir: ${hydra.job.num}
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(purple)sHYDRA%(reset)s] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(blue)s%(name)s%(reset)s][%(log_color)s%(levelname)s%(reset)s]
+          - %(message)s'
+        log_colors:
+          DEBUG: purple
+          INFO: green
+          WARNING: yellow
+          ERROR: red
+          CRITICAL: red
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${task_name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks: {}
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task:
+    - experiment=ac/ac
+  job:
+    name: train
+    chdir: null
+    override_dirname: experiment=ac/ac
+    id: ???
+    num: ???
+    config_name: train.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: /home/user/Projects/meso-SIR
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: /home/user/Projects/meso-SIR/configs
+      schema: file
+      provider: main
+    - path: hydra_plugins.hydra_colorlog.conf
+      schema: pkg
+      provider: hydra-colorlog
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: /home/user/Projects/meso-SIR/logs/official/runs/ac/ac
+    choices:
+      debug: null
+      local: default
+      hparams_search: null
+      experiment: ac/ac
+      hydra: default
+      extras: default
+      paths: default
+      trainer: ddp
+      callbacks: default
+      model: ac
+      model/scheduler: reduce_lr_on_plateau
+      model/optimizer: adam
+      model/dynamics: ac
+      data: allen_cahn
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: colorlog
+      hydra/hydra_logging: colorlog
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false

logs/official/runs/ac/ac/.hydra/overrides.yaml

@@ -0,0 +1 @@
+- experiment=ac/ac

logs/official/runs/ac/ac/checkpoints/best_final_loss.ckpt

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+version https://git-lfs.github.com/spec/v1
+oid sha256:f592c42a056577b8301337035545bb404ad923363d1a2dc7b1cda50c30850ba2
+size 11193

logs/official/runs/ac/ac/checkpoints/epoch_epoch=099.ckpt

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+version https://git-lfs.github.com/spec/v1
+oid sha256:cd98a95f97cbcf28617a6d074b71a9aa5a4f8047d47c82b8c770f0730f718271
+size 11321

logs/official/runs/ac/ac/checkpoints/last.ckpt

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+version https://git-lfs.github.com/spec/v1
+oid sha256:e112568b5f5fd821fd8175f3855ecb2f4d783c8d66a1fc8b2ddd6f7343ce60f5
+size 11449

logs/official/runs/ac/ac/csv/version_0/hparams.yaml

@@ -0,0 +1,108 @@
+model:
+  dynamics:
+    potential:
+      _target_: src.models.components.spectral_onsagernet.potential.allen_cahn.AllenCahnPotential
+      Lx: 6.283185307179586
+      Nx: 256
+    _target_: src.models.components.spectral_onsagernet.SpectralOnsagerNetAllenCahn
+    method: sbdf1
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+model/params/total: 2
+model/params/trainable: 2
+model/params/non_trainable: 0
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true
+task_name: official
+tags:
+- allen_cahn
+ckpt_path: null
+seed: 42

logs/official/runs/ac/ac_realV/.hydra/config.yaml

@@ -0,0 +1,138 @@
+task_name: official
+tags:
+- allen_cahn
+train: true
+test: true
+ckpt_path: null
+seed: 42
+print_configs_only: false
+print_model_summary_only: false
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+model:
+  dynamics:
+    _target_: src.models.components.spectral_onsagernet.SpectralOnsagerNet1d
+    learn_M: true
+    learn_W: true
+    potential:
+      _target_: src.models.components.spectral_onsagernet.potential.allen_cahn.AllenCahnPotential
+      Lx: 6.283185307179586
+      Nx: 256
+    method: euler
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+logger:
+  csv:
+    _target_: lightning.pytorch.loggers.csv_logs.CSVLogger
+    save_dir: ${paths.output_dir}
+    name: csv/
+    prefix: ''
+  wandb:
+    _target_: lightning.pytorch.loggers.wandb.WandbLogger
+    save_dir: ${paths.output_dir}
+    offline: false
+    id: null
+    anonymous: null
+    project: meso-SIR
+    log_model: false
+    prefix: ''
+    entity: zy-li-nus-national-university-of-singapore
+    group: ''
+    tags: ${tags}
+    job_type: ''
+    notes: ac_realV
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+paths:
+  root_dir: ${oc.env:PROJECT_ROOT}
+  data_dir: ${paths.root_dir}/data/
+  log_dir: ${paths.root_dir}/logs/
+  output_dir: ${hydra:runtime.output_dir}
+  work_dir: ${hydra:runtime.cwd}
+  the_well_base_dir: ${paths.root_dir}/data/the_well/datasets/
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true

logs/official/runs/ac/ac_realV/.hydra/hydra.yaml

@@ -0,0 +1,180 @@
+hydra:
+  run:
+    dir: ${paths.log_dir}/${task_name}/runs/ac/ac_realV
+  sweep:
+    dir: ${paths.log_dir}/${task_name}/multiruns/${now:%Y-%m-%d}_${now:%H-%M-%S}
+    subdir: ${hydra.job.num}
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(purple)sHYDRA%(reset)s] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(blue)s%(name)s%(reset)s][%(log_color)s%(levelname)s%(reset)s]
+          - %(message)s'
+        log_colors:
+          DEBUG: purple
+          INFO: green
+          WARNING: yellow
+          ERROR: red
+          CRITICAL: red
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${task_name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks: {}
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task:
+    - experiment=ac/ac_realV
+  job:
+    name: train
+    chdir: null
+    override_dirname: experiment=ac/ac_realV
+    id: ???
+    num: ???
+    config_name: train.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: /home/user/Projects/meso-SIR
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: /home/user/Projects/meso-SIR/configs
+      schema: file
+      provider: main
+    - path: hydra_plugins.hydra_colorlog.conf
+      schema: pkg
+      provider: hydra-colorlog
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: /home/user/Projects/meso-SIR/logs/official/runs/ac/ac_realV
+    choices:
+      debug: null
+      local: default
+      hparams_search: null
+      experiment: ac/ac_realV
+      hydra: default
+      extras: default
+      paths: default
+      trainer: ddp
+      callbacks: default
+      model: ac_realV
+      model/scheduler: reduce_lr_on_plateau
+      model/optimizer: adam
+      model/dynamics: ac_realV
+      data: allen_cahn
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: colorlog
+      hydra/hydra_logging: colorlog
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false

logs/official/runs/ac/ac_realV/.hydra/overrides.yaml

@@ -0,0 +1 @@
+- experiment=ac/ac_realV

logs/official/runs/ac/ac_realV/checkpoints/best_final_loss.ckpt

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+oid sha256:681eb671704dc29cc75b0d5200a7f74b9de6c03536ca3dc1584bb16f60be1ab0
+size 14003

logs/official/runs/ac/ac_realV/checkpoints/epoch_epoch=2099.ckpt

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+oid sha256:cba44962f57d5670c0acfacd9842d0c673385dc0565c915ad8a33e7b33595782
+size 14003

logs/official/runs/ac/ac_realV/checkpoints/last.ckpt

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+size 14003

logs/official/runs/ac/ac_realV/csv/version_0/hparams.yaml

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+model:
+  dynamics:
+    _target_: src.models.components.spectral_onsagernet.SpectralOnsagerNet1d
+    learn_M: true
+    learn_W: true
+    potential:
+      _target_: src.models.components.spectral_onsagernet.potential.allen_cahn.AllenCahnPotential
+      Lx: 6.283185307179586
+      Nx: 256
+    method: euler
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+model/params/total: 259
+model/params/trainable: 259
+model/params/non_trainable: 0
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true
+task_name: official
+tags:
+- allen_cahn
+ckpt_path: null
+seed: 42

logs/official/runs/ac/fno/.hydra/config.yaml

@@ -0,0 +1,136 @@
+task_name: official
+tags:
+- allen_cahn
+train: true
+test: true
+ckpt_path: null
+seed: 42
+print_configs_only: false
+print_model_summary_only: false
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 8
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+model:
+  dynamics:
+    _target_: src.models.components.FNO1dBaseline
+    n_modes: 24
+    in_channels: 1
+    out_channels: 1
+    hidden_channels: 32
+    step_method: euler
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+logger:
+  csv:
+    _target_: lightning.pytorch.loggers.csv_logs.CSVLogger
+    save_dir: ${paths.output_dir}
+    name: csv/
+    prefix: ''
+  wandb:
+    _target_: lightning.pytorch.loggers.wandb.WandbLogger
+    save_dir: ${paths.output_dir}
+    offline: false
+    id: null
+    anonymous: null
+    project: meso-SIR
+    log_model: false
+    prefix: ''
+    entity: zy-li-nus-national-university-of-singapore
+    group: ''
+    tags: ${tags}
+    job_type: ''
+    notes: fno
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+paths:
+  root_dir: ${oc.env:PROJECT_ROOT}
+  data_dir: ${paths.root_dir}/data/
+  log_dir: ${paths.root_dir}/logs/
+  output_dir: ${hydra:runtime.output_dir}
+  work_dir: ${hydra:runtime.cwd}
+  the_well_base_dir: ${paths.root_dir}/data/the_well/datasets/
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true

logs/official/runs/ac/fno/.hydra/hydra.yaml

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+hydra:
+  run:
+    dir: ${paths.log_dir}/${task_name}/runs/ac/fno
+  sweep:
+    dir: ${paths.log_dir}/${task_name}/multiruns/${now:%Y-%m-%d}_${now:%H-%M-%S}
+    subdir: ${hydra.job.num}
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(purple)sHYDRA%(reset)s] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(blue)s%(name)s%(reset)s][%(log_color)s%(levelname)s%(reset)s]
+          - %(message)s'
+        log_colors:
+          DEBUG: purple
+          INFO: green
+          WARNING: yellow
+          ERROR: red
+          CRITICAL: red
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${task_name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks: {}
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task:
+    - experiment=ac_2d/fno
+  job:
+    name: train
+    chdir: null
+    override_dirname: experiment=ac_2d/fno
+    id: ???
+    num: ???
+    config_name: train.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: /home/user/Projects/meso-SIR
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: /home/user/Projects/meso-SIR/configs
+      schema: file
+      provider: main
+    - path: hydra_plugins.hydra_colorlog.conf
+      schema: pkg
+      provider: hydra-colorlog
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: /home/user/Projects/meso-SIR/logs/official/runs/ac/fno
+    choices:
+      debug: null
+      local: default
+      hparams_search: null
+      experiment: ac_2d/fno
+      hydra: default
+      extras: default
+      paths: default
+      trainer: ddp
+      callbacks: default
+      model: fno2d
+      model/scheduler: reduce_lr_on_plateau
+      model/optimizer: adam
+      model/dynamics: fno2d/large
+      data: allen_cahn_2d
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: colorlog
+      hydra/hydra_logging: colorlog
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false

logs/official/runs/ac/fno/.hydra/overrides.yaml

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+- experiment=ac_2d/fno

logs/official/runs/ac/fno/checkpoints/best_final_loss.ckpt

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+version https://git-lfs.github.com/spec/v1
+oid sha256:7598961e049d3c2de75238754d2452a92a99d1d1a1f47aa4db44de149aad9112
+size 1492731

logs/official/runs/ac/fno/checkpoints/epoch_epoch=8599.ckpt

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+oid sha256:f70b086a1c55c4010462bd52e8bd799735fd1dfe52c8353fcf7b387eb68ae2aa
+size 1492731

logs/official/runs/ac/fno/checkpoints/last.ckpt

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+oid sha256:5e8c88721d68e4810691341c9132eebc70ca792f20cf7730106d0fdb6d4d7cab
+size 1492731

logs/official/runs/ac/fno/csv/version_0/hparams.yaml

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+model:
+  dynamics:
+    _target_: src.models.components.FNO1dBaseline
+    n_modes: 24
+    in_channels: 1
+    out_channels: 1
+    hidden_channels: 32
+    step_method: euler
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+model/params/total: 66337
+model/params/trainable: 66337
+model/params/non_trainable: 0
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true
+task_name: official
+tags:
+- allen_cahn
+ckpt_path: null
+seed: 42

logs/official/runs/ac/onsagernet1d_lowrank/.hydra/config.yaml

@@ -0,0 +1,160 @@
+task_name: official
+tags:
+- allen_cahn
+train: true
+test: true
+ckpt_path: null
+seed: 42
+print_configs_only: false
+print_model_summary_only: false
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+model:
+  dynamics:
+    _target_: src.models.components.dynamics.onsagernet.OnsagerNet1d
+    Nx: 256
+    n_channels: 1
+    step_method: euler
+    potential:
+      _target_: src.models.components.dynamics.onsagernet.CoercivePotential
+      in_dim: 256
+      hidden_dims:
+      - 256
+      - 256
+      - 256
+      alpha_init: 0.01
+      act_name: tanh
+    dissipation:
+      _target_: src.models.components.dynamics.onsagernet.LowRankDissipation
+      in_dim: 256
+      rank: 8
+      hidden_dims:
+      - 256
+      - 256
+      beta: 0.001
+      act_name: tanh
+    conservation:
+      _target_: src.models.components.dynamics.onsagernet.LowRankConservation
+      in_dim: 256
+      rank: 4
+      hidden_dims:
+      - 256
+      - 256
+      act_name: tanh
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+logger:
+  csv:
+    _target_: lightning.pytorch.loggers.csv_logs.CSVLogger
+    save_dir: ${paths.output_dir}
+    name: csv/
+    prefix: ''
+  wandb:
+    _target_: lightning.pytorch.loggers.wandb.WandbLogger
+    save_dir: ${paths.output_dir}
+    offline: false
+    id: null
+    anonymous: null
+    project: meso-SIR
+    log_model: false
+    prefix: ''
+    entity: zy-li-nus-national-university-of-singapore
+    group: ''
+    tags: ${tags}
+    job_type: ''
+    notes: onsagernet1d_lowrank
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+paths:
+  root_dir: ${oc.env:PROJECT_ROOT}
+  data_dir: ${paths.root_dir}/data/
+  log_dir: ${paths.root_dir}/logs/
+  output_dir: ${hydra:runtime.output_dir}
+  work_dir: ${hydra:runtime.cwd}
+  the_well_base_dir: ${paths.root_dir}/data/the_well/datasets/
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true

logs/official/runs/ac/onsagernet1d_lowrank/.hydra/hydra.yaml

@@ -0,0 +1,180 @@
+hydra:
+  run:
+    dir: ${paths.log_dir}/${task_name}/runs/ac/onsagernet1d_lowrank
+  sweep:
+    dir: ${paths.log_dir}/${task_name}/multiruns/${now:%Y-%m-%d}_${now:%H-%M-%S}
+    subdir: ${hydra.job.num}
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(purple)sHYDRA%(reset)s] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(blue)s%(name)s%(reset)s][%(log_color)s%(levelname)s%(reset)s]
+          - %(message)s'
+        log_colors:
+          DEBUG: purple
+          INFO: green
+          WARNING: yellow
+          ERROR: red
+          CRITICAL: red
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${task_name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks: {}
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task:
+    - experiment=ac/onsagernet1d_lowrank
+  job:
+    name: train
+    chdir: null
+    override_dirname: experiment=ac/onsagernet1d_lowrank
+    id: ???
+    num: ???
+    config_name: train.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: /home/user/Projects/meso-SIR
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: /home/user/Projects/meso-SIR/configs
+      schema: file
+      provider: main
+    - path: hydra_plugins.hydra_colorlog.conf
+      schema: pkg
+      provider: hydra-colorlog
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: /home/user/Projects/meso-SIR/logs/official/runs/ac/onsagernet1d_lowrank
+    choices:
+      debug: null
+      local: default
+      hparams_search: null
+      experiment: ac/onsagernet1d_lowrank
+      hydra: default
+      extras: default
+      paths: default
+      trainer: ddp
+      callbacks: default
+      model: onsagernet1d_lowrank
+      model/scheduler: reduce_lr_on_plateau
+      model/optimizer: adam
+      model/dynamics: onsagernet/low_rank
+      data: allen_cahn
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: colorlog
+      hydra/hydra_logging: colorlog
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false

logs/official/runs/ac/onsagernet1d_lowrank/.hydra/overrides.yaml

@@ -0,0 +1 @@
+- experiment=ac/onsagernet1d_lowrank

logs/official/runs/ac/onsagernet1d_lowrank/checkpoints/best_final_loss.ckpt

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+size 15048097

logs/official/runs/ac/onsagernet1d_lowrank/checkpoints/epoch_epoch=099.ckpt

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+size 15047969

logs/official/runs/ac/onsagernet1d_lowrank/checkpoints/last.ckpt

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+oid sha256:5d3716180b6e59c28d7e29b5131a98e2f108f125ed29a7b62a7f185cf0271502
+size 15048097

logs/official/runs/ac/onsagernet1d_lowrank/csv/version_0/hparams.yaml

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+model:
+  dynamics:
+    _target_: src.models.components.dynamics.onsagernet.OnsagerNet1d
+    Nx: 256
+    n_channels: 1
+    step_method: euler
+    potential:
+      _target_: src.models.components.dynamics.onsagernet.CoercivePotential
+      in_dim: 256
+      hidden_dims:
+      - 256
+      - 256
+      - 256
+      alpha_init: 0.01
+      act_name: tanh
+    dissipation:
+      _target_: src.models.components.dynamics.onsagernet.LowRankDissipation
+      in_dim: 256
+      rank: 8
+      hidden_dims:
+      - 256
+      - 256
+      beta: 0.001
+      act_name: tanh
+    conservation:
+      _target_: src.models.components.dynamics.onsagernet.LowRankConservation
+      in_dim: 256
+      rank: 4
+      hidden_dims:
+      - 256
+      - 256
+      act_name: tanh
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+model/params/total: 1251329
+model/params/trainable: 1251329
+model/params/non_trainable: 0
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true
+task_name: official
+tags:
+- allen_cahn
+ckpt_path: null
+seed: 42

logs/official/runs/ac/res_onsagernet/.hydra/config.yaml

@@ -0,0 +1,152 @@
+task_name: official
+tags:
+- allen_cahn
+train: true
+test: true
+ckpt_path: null
+seed: 42
+print_configs_only: false
+print_model_summary_only: false
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+model:
+  dynamics:
+    _target_: src.models.components.spectral_onsagernet.SpectralOnsagerNet1d
+    learn_M: true
+    learn_W: true
+    potential:
+      _target_: src.models.components.spectral_onsagernet.potential.coercive_autograd_v4.CoerciveAutogradPotentialV4
+      Lx: 6.283185307179586
+      Nx: 256
+      dvdf_h_module:
+        _target_: src.models.components.utils.mlp_skip.MlpSkip
+        in_dim: 258
+        hidden_dims:
+        - 512
+        - 512
+        - 512
+        out_dim: 258
+        act_name: relu
+        final_sine: true
+        final_bias: false
+        final_zero: false
+      positive_a: true
+      positive_b: true
+    method: euler
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+logger:
+  csv:
+    _target_: lightning.pytorch.loggers.csv_logs.CSVLogger
+    save_dir: ${paths.output_dir}
+    name: csv/
+    prefix: ''
+  wandb:
+    _target_: lightning.pytorch.loggers.wandb.WandbLogger
+    save_dir: ${paths.output_dir}
+    offline: false
+    id: null
+    anonymous: null
+    project: meso-SIR
+    log_model: false
+    prefix: ''
+    entity: zy-li-nus-national-university-of-singapore
+    group: ''
+    tags: ${tags}
+    job_type: ''
+    notes: res_onsagernet
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+paths:
+  root_dir: ${oc.env:PROJECT_ROOT}
+  data_dir: ${paths.root_dir}/data/
+  log_dir: ${paths.root_dir}/logs/
+  output_dir: ${hydra:runtime.output_dir}
+  work_dir: ${hydra:runtime.cwd}
+  the_well_base_dir: ${paths.root_dir}/data/the_well/datasets/
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true

logs/official/runs/ac/res_onsagernet/.hydra/hydra.yaml

@@ -0,0 +1,180 @@
+hydra:
+  run:
+    dir: ${paths.log_dir}/${task_name}/runs/ac/res_onsagernet
+  sweep:
+    dir: ${paths.log_dir}/${task_name}/multiruns/${now:%Y-%m-%d}_${now:%H-%M-%S}
+    subdir: ${hydra.job.num}
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(purple)sHYDRA%(reset)s] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(blue)s%(name)s%(reset)s][%(log_color)s%(levelname)s%(reset)s]
+          - %(message)s'
+        log_colors:
+          DEBUG: purple
+          INFO: green
+          WARNING: yellow
+          ERROR: red
+          CRITICAL: red
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${task_name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks: {}
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task:
+    - experiment=ac/res_onsagernet
+  job:
+    name: train
+    chdir: null
+    override_dirname: experiment=ac/res_onsagernet
+    id: ???
+    num: ???
+    config_name: train.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: /home/user/Projects/meso-SIR
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: /home/user/Projects/meso-SIR/configs
+      schema: file
+      provider: main
+    - path: hydra_plugins.hydra_colorlog.conf
+      schema: pkg
+      provider: hydra-colorlog
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: /home/user/Projects/meso-SIR/logs/official/runs/ac/res_onsagernet
+    choices:
+      debug: null
+      local: default
+      hparams_search: null
+      experiment: ac/res_onsagernet
+      hydra: default
+      extras: default
+      paths: default
+      trainer: ddp
+      callbacks: default
+      model: res_onsagernet
+      model/scheduler: reduce_lr_on_plateau
+      model/optimizer: adam
+      model/dynamics: res_onsagernet
+      data: allen_cahn
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: colorlog
+      hydra/hydra_logging: colorlog
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false

logs/official/runs/ac/res_onsagernet/.hydra/overrides.yaml

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+- experiment=ac/res_onsagernet

logs/official/runs/ac/res_onsagernet/checkpoints/best_final_loss.ckpt

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logs/official/runs/ac/res_onsagernet/csv/version_0/hparams.yaml

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+model:
+  dynamics:
+    _target_: src.models.components.spectral_onsagernet.SpectralOnsagerNet1d
+    learn_M: true
+    learn_W: true
+    potential:
+      _target_: src.models.components.spectral_onsagernet.potential.coercive_autograd_v4.CoerciveAutogradPotentialV4
+      Lx: 6.283185307179586
+      Nx: 256
+      dvdf_h_module:
+        _target_: src.models.components.utils.mlp_skip.MlpSkip
+        in_dim: 258
+        hidden_dims:
+        - 512
+        - 512
+        - 512
+        out_dim: 258
+        act_name: relu
+        final_sine: true
+        final_bias: false
+        final_zero: false
+      positive_a: true
+      positive_b: true
+    method: euler
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+model/params/total: 790276
+model/params/trainable: 790276
+model/params/non_trainable: 0
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true
+task_name: official
+tags:
+- allen_cahn
+ckpt_path: null
+seed: 42

logs/official/runs/ac/s_onsagernet/.hydra/config.yaml

@@ -0,0 +1,162 @@
+task_name: official
+tags:
+- allen_cahn
+train: true
+test: true
+ckpt_path: null
+seed: 42
+print_configs_only: false
+print_model_summary_only: false
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+model:
+  dynamics:
+    _target_: src.models.components.spectral_onsagernet.SpectralOnsagerNet1d
+    learn_M: true
+    learn_W: true
+    potential:
+      _target_: src.models.components.spectral_onsagernet.potential.coercive_autograd_v6.CoerciveAutogradPotentialV6
+      Lx: 6.283185307179586
+      Nx: 256
+      F_module:
+        _target_: src.models.components.utils.mlp.Mlp
+        in_dim: 1
+        hidden_dims:
+        - 64
+        - 64
+        - 64
+        out_dim: 1
+        act_name: silu
+        final_act_name: sine
+        final_bias: false
+      v_module:
+        _target_: src.models.components.utils.mlp.Mlp
+        in_dim: 16
+        hidden_dims:
+        - 64
+        - 64
+        - 64
+        out_dim: 1
+        act_name: silu
+        final_act_name: sine
+        final_bias: false
+        complex: true
+      v_truncate: 16
+    method: euler
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+logger:
+  csv:
+    _target_: lightning.pytorch.loggers.csv_logs.CSVLogger
+    save_dir: ${paths.output_dir}
+    name: csv/
+    prefix: ''
+  wandb:
+    _target_: lightning.pytorch.loggers.wandb.WandbLogger
+    save_dir: ${paths.output_dir}
+    offline: false
+    id: null
+    anonymous: null
+    project: meso-SIR
+    log_model: false
+    prefix: ''
+    entity: zy-li-nus-national-university-of-singapore
+    group: ''
+    tags: ${tags}
+    job_type: ''
+    notes: s_onsagernet
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+paths:
+  root_dir: ${oc.env:PROJECT_ROOT}
+  data_dir: ${paths.root_dir}/data/
+  log_dir: ${paths.root_dir}/logs/
+  output_dir: ${hydra:runtime.output_dir}
+  work_dir: ${hydra:runtime.cwd}
+  the_well_base_dir: ${paths.root_dir}/data/the_well/datasets/
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true

logs/official/runs/ac/s_onsagernet/.hydra/hydra.yaml

@@ -0,0 +1,180 @@
+hydra:
+  run:
+    dir: ${paths.log_dir}/${task_name}/runs/ac/s_onsagernet
+  sweep:
+    dir: ${paths.log_dir}/${task_name}/multiruns/${now:%Y-%m-%d}_${now:%H-%M-%S}
+    subdir: ${hydra.job.num}
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(purple)sHYDRA%(reset)s] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(blue)s%(name)s%(reset)s][%(log_color)s%(levelname)s%(reset)s]
+          - %(message)s'
+        log_colors:
+          DEBUG: purple
+          INFO: green
+          WARNING: yellow
+          ERROR: red
+          CRITICAL: red
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${task_name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks: {}
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task:
+    - experiment=ac/s_onsagernet
+  job:
+    name: train
+    chdir: null
+    override_dirname: experiment=ac/s_onsagernet
+    id: ???
+    num: ???
+    config_name: train.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: /home/user/Projects/meso-SIR
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: /home/user/Projects/meso-SIR/configs
+      schema: file
+      provider: main
+    - path: hydra_plugins.hydra_colorlog.conf
+      schema: pkg
+      provider: hydra-colorlog
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: /home/user/Projects/meso-SIR/logs/official/runs/ac/s_onsagernet
+    choices:
+      debug: null
+      local: default
+      hparams_search: null
+      experiment: ac/s_onsagernet
+      hydra: default
+      extras: default
+      paths: default
+      trainer: ddp
+      callbacks: default
+      model: s_onsagernet
+      model/scheduler: reduce_lr_on_plateau
+      model/optimizer: adam
+      model/dynamics: s_onsagernet
+      data: allen_cahn
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: colorlog
+      hydra/hydra_logging: colorlog
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false

logs/official/runs/ac/s_onsagernet/.hydra/overrides.yaml

@@ -0,0 +1 @@
+- experiment=ac/s_onsagernet

logs/official/runs/ac/s_onsagernet/checkpoints/best_final_loss.ckpt

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+oid sha256:26c0c8c59f81359b87069bc33d1534b1e3821ba6b984c744d96218457e7e48ad
+size 361794

logs/official/runs/ac/s_onsagernet/checkpoints/epoch_epoch=1699.ckpt

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+size 361794

logs/official/runs/ac/s_onsagernet/checkpoints/last.ckpt

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+version https://git-lfs.github.com/spec/v1
+oid sha256:6ca36c6812e5452dfb937abeeed6843af05352a9fe46bbb7efb888a8b07091ea
+size 361794

logs/official/runs/ac/s_onsagernet/csv/version_0/hparams.yaml

@@ -0,0 +1,134 @@
+model:
+  dynamics:
+    _target_: src.models.components.spectral_onsagernet.SpectralOnsagerNet1d
+    learn_M: true
+    learn_W: true
+    potential:
+      _target_: src.models.components.spectral_onsagernet.potential.coercive_autograd_v6.CoerciveAutogradPotentialV6
+      Lx: 6.283185307179586
+      Nx: 256
+      F_module:
+        _target_: src.models.components.utils.mlp.Mlp
+        in_dim: 1
+        hidden_dims:
+        - 64
+        - 64
+        - 64
+        out_dim: 1
+        act_name: silu
+        final_act_name: sine
+        final_bias: false
+      v_module:
+        _target_: src.models.components.utils.mlp.Mlp
+        in_dim: 16
+        hidden_dims:
+        - 64
+        - 64
+        - 64
+        out_dim: 1
+        act_name: silu
+        final_act_name: sine
+        final_bias: false
+        complex: true
+      v_truncate: 16
+    method: euler
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+model/params/total: 18244
+model/params/trainable: 18244
+model/params/non_trainable: 0
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn
+  data_files: ${paths.data_dir}/allen_cahn/*.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 32
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true
+task_name: official
+tags:
+- allen_cahn
+ckpt_path: null
+seed: 42

logs/official/runs/ac_2d/ac_2d/.hydra/config.yaml

@@ -0,0 +1,138 @@
+task_name: official
+tags:
+- allen_cahn_2d
+train: true
+test: true
+ckpt_path: null
+seed: 42
+print_configs_only: false
+print_model_summary_only: false
+data:
+  _target_: src.data.DedalusDynamicsDataModule
+  dyn_type: allen_cahn_2d
+  data_files: ${paths.data_dir}/allen_cahn_2d/*1000_seed0.hdf5
+  split_ratio:
+  - 0.7
+  - 0.2
+  - 0.1
+  batch_size: 8
+  chunk_length: 11
+  num_workers: 4
+  pin_memory: true
+model:
+  dynamics:
+    potential:
+      _target_: src.models.components.spectral_onsagernet_2d.potential.allen_cahn.AllenCahnPotential
+      Lx: 6.283185307179586
+      Ly: 6.283185307179586
+      Nx: 128
+      Ny: 128
+    _target_: src.models.components.spectral_onsagernet_2d.SpectralOnsagerNetAllenCahn2d
+    method: sbdf1
+  optimizer:
+    _target_: torch.optim.Adam
+    _partial_: true
+    lr: 0.001
+    weight_decay: 0.0
+  scheduler:
+    _target_: torch.optim.lr_scheduler.ReduceLROnPlateau
+    _partial_: true
+    mode: min
+    factor: 0.5
+    patience: 300
+  _target_: src.models.meso_module.MesoLitModule
+  dt: 0.001
+  accumulated_nsteps: 3
+  loss_fn: mse
+  compile: true
+  reg_weight: null
+callbacks:
+  model_summary:
+    _target_: lightning.pytorch.callbacks.RichModelSummary
+    max_depth: -1
+  rich_progress_bar:
+    _target_: lightning.pytorch.callbacks.RichProgressBar
+  lr_monitor:
+    _target_: lightning.pytorch.callbacks.LearningRateMonitor
+    logging_interval: epoch
+  model_checkpoint:
+    _target_: lightning.pytorch.callbacks.ModelCheckpoint
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: epoch_{epoch:03d}
+    monitor: valid/loss
+    verbose: false
+    save_last: true
+    save_top_k: 1
+    mode: min
+    auto_insert_metric_name: true
+    save_weights_only: false
+    every_n_train_steps: null
+    train_time_interval: null
+    every_n_epochs: null
+    save_on_train_epoch_end: null
+  early_stopping:
+    _target_: lightning.pytorch.callbacks.EarlyStopping
+    monitor: valid/loss
+    min_delta: 0.0
+    patience: 5
+    verbose: false
+    mode: min
+    strict: true
+    check_finite: true
+    stopping_threshold: null
+    divergence_threshold: null
+    check_on_train_epoch_end: null
+  pred:
+    _target_: src.callbacks.viz.pred.PredViz
+    every_n_validation: 5
+  model_checkpoint_final_loss:
+    _target_: src.callbacks.best_finite_checkpoint.BestFiniteCheckpoint
+    monitor: valid/final_loss
+    dirpath: ${paths.output_dir}/checkpoints
+    filename: best_final_loss
+    mode: min
+logger:
+  csv:
+    _target_: lightning.pytorch.loggers.csv_logs.CSVLogger
+    save_dir: ${paths.output_dir}
+    name: csv/
+    prefix: ''
+  wandb:
+    _target_: lightning.pytorch.loggers.wandb.WandbLogger
+    save_dir: ${paths.output_dir}
+    offline: false
+    id: null
+    anonymous: null
+    project: meso-SIR
+    log_model: false
+    prefix: ''
+    entity: zy-li-nus-national-university-of-singapore
+    group: ''
+    tags: ${tags}
+    job_type: ''
+    notes: ac_2d
+trainer:
+  _target_: lightning.pytorch.trainer.Trainer
+  default_root_dir: ${paths.output_dir}
+  min_epochs: 1
+  max_epochs: 10000
+  accelerator: gpu
+  devices: auto
+  deterministic: false
+  profiler: simple
+  strategy: ddp
+  num_nodes: 1
+  sync_batchnorm: true
+  check_val_every_n_epoch: 100
+  log_every_n_steps: 1000
+paths:
+  root_dir: ${oc.env:PROJECT_ROOT}
+  data_dir: ${paths.root_dir}/data/
+  log_dir: ${paths.root_dir}/logs/
+  output_dir: ${hydra:runtime.output_dir}
+  work_dir: ${hydra:runtime.cwd}
+  the_well_base_dir: ${paths.root_dir}/data/the_well/datasets/
+extras:
+  ignore_warnings: false
+  enforce_tags: true
+  print_config: true

logs/official/runs/ac_2d/ac_2d/.hydra/hydra.yaml

@@ -0,0 +1,180 @@
+hydra:
+  run:
+    dir: ${paths.log_dir}/${task_name}/runs/ac_2d/ac_2d
+  sweep:
+    dir: ${paths.log_dir}/${task_name}/multiruns/${now:%Y-%m-%d}_${now:%H-%M-%S}
+    subdir: ${hydra.job.num}
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(purple)sHYDRA%(reset)s] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+      colorlog:
+        (): colorlog.ColoredFormatter
+        format: '[%(cyan)s%(asctime)s%(reset)s][%(blue)s%(name)s%(reset)s][%(log_color)s%(levelname)s%(reset)s]
+          - %(message)s'
+        log_colors:
+          DEBUG: purple
+          INFO: green
+          WARNING: yellow
+          ERROR: red
+          CRITICAL: red
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: colorlog
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${task_name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks: {}
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task:
+    - experiment=ac_2d/ac_2d
+  job:
+    name: train
+    chdir: null
+    override_dirname: experiment=ac_2d/ac_2d
+    id: ???
+    num: ???
+    config_name: train.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: /home/user/Projects/meso-SIR
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: /home/user/Projects/meso-SIR/configs
+      schema: file
+      provider: main
+    - path: hydra_plugins.hydra_colorlog.conf
+      schema: pkg
+      provider: hydra-colorlog
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: /home/user/Projects/meso-SIR/logs/official/runs/ac_2d/ac_2d
+    choices:
+      debug: null
+      local: default
+      hparams_search: null
+      experiment: ac_2d/ac_2d
+      hydra: default
+      extras: default
+      paths: default
+      trainer: ddp
+      callbacks: default
+      model: ac_2d
+      model/scheduler: reduce_lr_on_plateau
+      model/optimizer: adam
+      model/dynamics: ac_2d
+      data: allen_cahn_2d
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: colorlog
+      hydra/hydra_logging: colorlog
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false