Upload diffcsp_mp20/hparams.yaml with huggingface_hub
Browse files- diffcsp_mp20/hparams.yaml +48 -0
diffcsp_mp20/hparams.yaml
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model:
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decoder:
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_target_: models.diffcsp.cspnet.CSPNet
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hidden_dim: 512
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latent_dim: 0
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max_atoms: 100
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num_layers: 6
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act_fn: silu
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dis_emb: sin
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num_freqs: 128
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edge_style: fc
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max_neighbors: 20
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cutoff: ${model.radius}
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ln: true
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ip: true
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beta_scheduler:
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_target_: models.diffcsp.scheduler.BetaScheduler
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timesteps: ${model.timesteps}
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scheduler_mode: cosine
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sigma_scheduler:
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_target_: models.diffcsp.scheduler.SigmaScheduler
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timesteps: ${model.timesteps}
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sigma_begin: 0.005
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sigma_end: 0.5
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_target_: models.diffcsp.diffusion.DiffCSPModule
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time_dim: 256
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latent_dim: 0
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cost_coord: 1.0
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cost_lattice: 1.0
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cost_type: 20
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max_neighbors: 20
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radius: 7.0
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timesteps: 1000
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optim:
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optimizer:
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_target_: torch.optim.Adam
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lr: 0.001
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betas:
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- 0.9
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- 0.999
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eps: 1.0e-08
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weight_decay: 0
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use_lr_scheduler: true
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lr_scheduler:
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_target_: torch.optim.lr_scheduler.ReduceLROnPlateau
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factor: 0.6
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patience: 30
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min_lr: 0.0001
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