core.models.utils.basis

Copyright (c) Meta Platforms, Inc. and affiliates.

This source code is licensed under the MIT license found in the LICENSE file in the root directory of this source tree.

Classes

Sine	Base class for all neural network modules.
SIREN	Base class for all neural network modules.
SINESmearing	Base class for all neural network modules.
GaussianSmearing	Base class for all neural network modules.
FourierSmearing	Base class for all neural network modules.
Basis	Base class for all neural network modules.
SphericalSmearing	Base class for all neural network modules.

Module Contents

class core.models.utils.basis.Sine(w0: float = 30.0)

Bases: torch.nn.Module

Base class for all neural network modules.

Your models should also subclass this class.

Modules can also contain other Modules, allowing them to be nested in a tree structure. You can assign the submodules as regular attributes:

import torch.nn as nn
import torch.nn.functional as F


class Model(nn.Module):
    def __init__(self) -> None:
        super().__init__()
        self.conv1 = nn.Conv2d(1, 20, 5)
        self.conv2 = nn.Conv2d(20, 20, 5)

    def forward(self, x):
        x = F.relu(self.conv1(x))
        return F.relu(self.conv2(x))

Submodules assigned in this way will be registered, and will also have their parameters converted when you call to(), etc.

Note

As per the example above, an __init__() call to the parent class must be made before assignment on the child.

Variables:

training (bool) – Boolean represents whether this module is in training or evaluation mode.

w0

forward(x: torch.Tensor) → torch.Tensor

class core.models.utils.basis.SIREN(layers: list[int], num_in_features: int, out_features: int, w0: float = 30.0, initializer: str | None = 'siren', c: float = 6)

Bases: torch.nn.Module

Base class for all neural network modules.

Your models should also subclass this class.

Modules can also contain other Modules, allowing them to be nested in a tree structure. You can assign the submodules as regular attributes:

import torch.nn as nn
import torch.nn.functional as F


class Model(nn.Module):
    def __init__(self) -> None:
        super().__init__()
        self.conv1 = nn.Conv2d(1, 20, 5)
        self.conv2 = nn.Conv2d(20, 20, 5)

    def forward(self, x):
        x = F.relu(self.conv1(x))
        return F.relu(self.conv2(x))

Submodules assigned in this way will be registered, and will also have their parameters converted when you call to(), etc.

Note

As per the example above, an __init__() call to the parent class must be made before assignment on the child.

Variables:

training (bool) – Boolean represents whether this module is in training or evaluation mode.

layers

network

forward(X: torch.Tensor) → torch.Tensor

class core.models.utils.basis.SINESmearing(num_in_features: int, num_freqs: int = 40, use_cosine: bool = False)

Bases: torch.nn.Module

Base class for all neural network modules.

Your models should also subclass this class.

Modules can also contain other Modules, allowing them to be nested in a tree structure. You can assign the submodules as regular attributes:

import torch.nn as nn
import torch.nn.functional as F


class Model(nn.Module):
    def __init__(self) -> None:
        super().__init__()
        self.conv1 = nn.Conv2d(1, 20, 5)
        self.conv2 = nn.Conv2d(20, 20, 5)

    def forward(self, x):
        x = F.relu(self.conv1(x))
        return F.relu(self.conv2(x))

Submodules assigned in this way will be registered, and will also have their parameters converted when you call to(), etc.

Note

As per the example above, an __init__() call to the parent class must be made before assignment on the child.

Variables:

training (bool) – Boolean represents whether this module is in training or evaluation mode.

num_freqs

out_dim: int

use_cosine

freq_filter

forward(x: torch.Tensor) → torch.Tensor

class core.models.utils.basis.GaussianSmearing(num_in_features: int, start: int = 0, end: int = 1, num_freqs: int = 50)

Bases: torch.nn.Module

Base class for all neural network modules.

Your models should also subclass this class.

Modules can also contain other Modules, allowing them to be nested in a tree structure. You can assign the submodules as regular attributes:

import torch.nn as nn
import torch.nn.functional as F


class Model(nn.Module):
    def __init__(self) -> None:
        super().__init__()
        self.conv1 = nn.Conv2d(1, 20, 5)
        self.conv2 = nn.Conv2d(20, 20, 5)

    def forward(self, x):
        x = F.relu(self.conv1(x))
        return F.relu(self.conv2(x))

Submodules assigned in this way will be registered, and will also have their parameters converted when you call to(), etc.

Note

As per the example above, an __init__() call to the parent class must be made before assignment on the child.

Variables:

training (bool) – Boolean represents whether this module is in training or evaluation mode.

num_freqs

coeff: float

offset

forward(x: torch.Tensor) → torch.Tensor

class core.models.utils.basis.FourierSmearing(num_in_features: int, num_freqs: int = 40, use_cosine: bool = False)

Bases: torch.nn.Module

Base class for all neural network modules.

Your models should also subclass this class.

Modules can also contain other Modules, allowing them to be nested in a tree structure. You can assign the submodules as regular attributes:

import torch.nn as nn
import torch.nn.functional as F


class Model(nn.Module):
    def __init__(self) -> None:
        super().__init__()
        self.conv1 = nn.Conv2d(1, 20, 5)
        self.conv2 = nn.Conv2d(20, 20, 5)

    def forward(self, x):
        x = F.relu(self.conv1(x))
        return F.relu(self.conv2(x))

Submodules assigned in this way will be registered, and will also have their parameters converted when you call to(), etc.

Note

As per the example above, an __init__() call to the parent class must be made before assignment on the child.

Variables:

training (bool) – Boolean represents whether this module is in training or evaluation mode.

num_freqs

out_dim: int

use_cosine

freq_filter

forward(x: torch.Tensor) → torch.Tensor

class core.models.utils.basis.Basis(num_in_features: int, num_freqs: int = 50, basis_type: str = 'powersine', act: str = 'ssp', sph: SphericalSmearing | None = None)

Bases: torch.nn.Module

Base class for all neural network modules.

Your models should also subclass this class.

Modules can also contain other Modules, allowing them to be nested in a tree structure. You can assign the submodules as regular attributes:

import torch.nn as nn
import torch.nn.functional as F


class Model(nn.Module):
    def __init__(self) -> None:
        super().__init__()
        self.conv1 = nn.Conv2d(1, 20, 5)
        self.conv2 = nn.Conv2d(20, 20, 5)

    def forward(self, x):
        x = F.relu(self.conv1(x))
        return F.relu(self.conv2(x))

Submodules assigned in this way will be registered, and will also have their parameters converted when you call to(), etc.

Note

As per the example above, an __init__() call to the parent class must be made before assignment on the child.

Variables:

training (bool) – Boolean represents whether this module is in training or evaluation mode.

smearing: SINESmearing | FourierSmearing | GaussianSmearing | torch.nn.Sequential

num_freqs

basis_type

forward(x: torch.Tensor, edge_attr_sph: torch.Tensor | None = None)

class core.models.utils.basis.SphericalSmearing(max_n: int = 10, option: str = 'all')

Bases: torch.nn.Module

Base class for all neural network modules.

Your models should also subclass this class.

Modules can also contain other Modules, allowing them to be nested in a tree structure. You can assign the submodules as regular attributes:

import torch.nn as nn
import torch.nn.functional as F


class Model(nn.Module):
    def __init__(self) -> None:
        super().__init__()
        self.conv1 = nn.Conv2d(1, 20, 5)
        self.conv2 = nn.Conv2d(20, 20, 5)

    def forward(self, x):
        x = F.relu(self.conv1(x))
        return F.relu(self.conv2(x))

Submodules assigned in this way will be registered, and will also have their parameters converted when you call to(), etc.

Note

As per the example above, an __init__() call to the parent class must be made before assignment on the child.

Variables:

training (bool) – Boolean represents whether this module is in training or evaluation mode.

m: numpy.typing.NDArray[numpy.int_]

n: numpy.typing.NDArray[numpy.int_]

max_n

out_dim

forward(xyz: torch.Tensor) → torch.Tensor