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import torch
import torch.nn.functional as F
import math
class KANLinear(torch.nn.Module):
"""
Kolmogorov-Arnold Neural Network (KAN) layer.
Args:
in_features (int): Number of input features.
out_features (int): Number of output features.
grid_size (int): Number of grid points.
spline_order (int): Order of the spline.
scale_noise (float): Scale of the noise.
scale_base (float): Scale of the base weight.
scale_spline (float): Scale of the spline weight.
enable_standalone_scale_spline (bool): Whether to enable standalone scale for spline weight.
base_activation (torch.nn.Module): Activation function for the base weight.
grid_eps (float): Epsilon for the grid.
grid_range (list): Range of the grid.
"""
def __init__(
self,
in_features,
out_features,
grid_size=5,
spline_order=3,
scale_noise=0.1,
scale_base=1.0,
scale_spline=1.0,
enable_standalone_scale_spline=True,
base_activation=torch.nn.SiLU,
grid_eps=0.02,
grid_range=[-1, 1],
):
super(KANLinear, self).__init__()
self.in_features = in_features
self.out_features = out_features
self.grid_size = grid_size
self.spline_order = spline_order
h = (grid_range[1] - grid_range[0]) / grid_size
grid = (
(
torch.arange(-spline_order, grid_size + spline_order + 1) * h
+ grid_range[0]
)
.expand(in_features, -1)
.contiguous()
)
self.register_buffer("grid", grid)
self.base_weight = torch.nn.Parameter(torch.Tensor(out_features, in_features))
self.spline_weight = torch.nn.Parameter(
torch.Tensor(out_features, in_features, grid_size + spline_order)
)
if enable_standalone_scale_spline:
self.spline_scaler = torch.nn.Parameter(
torch.Tensor(out_features, in_features)
)
self.scale_noise = scale_noise
self.scale_base = scale_base
self.scale_spline = scale_spline
self.enable_standalone_scale_spline = enable_standalone_scale_spline
self.base_activation = base_activation()
self.grid_eps = grid_eps
self.reset_parameters()
def reset_parameters(self):
torch.nn.init.kaiming_uniform_(self.base_weight, a=math.sqrt(5) * self.scale_base)
with torch.no_grad():
noise = (
(
torch.rand(self.grid_size + 1, self.in_features, self.out_features)
- 1 / 2
)
* self.scale_noise
/ self.grid_size
)
self.spline_weight.data.copy_(
(self.scale_spline if not self.enable_standalone_scale_spline else 1.0)
* self.curve2coeff(
self.grid.T[self.spline_order : -self.spline_order],
noise,
)
)
if self.enable_standalone_scale_spline:
# torch.nn.init.constant_(self.spline_scaler, self.scale_spline)
torch.nn.init.kaiming_uniform_(self.spline_scaler, a=math.sqrt(5) * self.scale_spline)
def b_splines(self, x: torch.Tensor):
"""
Compute the B-spline bases for the given input tensor.
Args:
x (torch.Tensor): Input tensor of shape (batch_size, in_features).
Returns:
torch.Tensor: B-spline bases tensor of shape (batch_size, in_features, grid_size + spline_order).
"""
assert x.dim() == 2 and x.size(1) == self.in_features
grid: torch.Tensor = (
self.grid
) # (in_features, grid_size + 2 * spline_order + 1)
x = x.unsqueeze(-1)
bases = ((x >= grid[:, :-1]) & (x < grid[:, 1:])).to(x.dtype)
for k in range(1, self.spline_order + 1):
bases = (
(x - grid[:, : -(k + 1)])
/ (grid[:, k:-1] - grid[:, : -(k + 1)])
* bases[:, :, :-1]
) + (
(grid[:, k + 1 :] - x)
/ (grid[:, k + 1 :] - grid[:, 1:(-k)])
* bases[:, :, 1:]
)
assert bases.size() == (
x.size(0),
self.in_features,
self.grid_size + self.spline_order,
)
return bases.contiguous()
def curve2coeff(self, x: torch.Tensor, y: torch.Tensor):
"""
Compute the coefficients of the curve that interpolates the given points.
Args:
x (torch.Tensor): Input tensor of shape (batch_size, in_features).
y (torch.Tensor): Output tensor of shape (batch_size, in_features, out_features).
Returns:
torch.Tensor: Coefficients tensor of shape (out_features, in_features, grid_size + spline_order).
"""
assert x.dim() == 2 and x.size(1) == self.in_features
assert y.size() == (x.size(0), self.in_features, self.out_features)
A = self.b_splines(x).transpose(
0, 1
) # (in_features, batch_size, grid_size + spline_order)
B = y.transpose(0, 1) # (in_features, batch_size, out_features)
# cast to float32 to avoid torch.linalg.lstsq error
if A.dtype != torch.float32:
original_dtype = A.dtype
A = A.to(torch.float32)
B = B.to(torch.float32)
solution = torch.linalg.lstsq(
A, B
).solution # (in_features, grid_size + spline_order, out_features)
# cast back to original dtype
if A.dtype != solution.dtype:
solution = solution.to(original_dtype)
result = solution.permute(
2, 0, 1
) # (out_features, in_features, grid_size + spline_order)
assert result.size() == (
self.out_features,
self.in_features,
self.grid_size + self.spline_order,
)
return result.contiguous()
@property
def scaled_spline_weight(self):
return self.spline_weight * (
self.spline_scaler.unsqueeze(-1)
if self.enable_standalone_scale_spline
else 1.0
)
def forward(self, x: torch.Tensor):
assert x.dim() == 2 and x.size(1) == self.in_features
base_output = F.linear(self.base_activation(x), self.base_weight)
spline_output = F.linear(
self.b_splines(x).view(x.size(0), -1),
self.scaled_spline_weight.view(self.out_features, -1),
)
return base_output + spline_output
@torch.no_grad()
def update_grid(self, x: torch.Tensor, margin=0.01):
assert x.dim() == 2 and x.size(1) == self.in_features
batch = x.size(0)
splines = self.b_splines(x) # (batch, in, coeff)
splines = splines.permute(1, 0, 2) # (in, batch, coeff)
orig_coeff = self.scaled_spline_weight # (out, in, coeff)
orig_coeff = orig_coeff.permute(1, 2, 0) # (in, coeff, out)
unreduced_spline_output = torch.bmm(splines, orig_coeff) # (in, batch, out)
unreduced_spline_output = unreduced_spline_output.permute(
1, 0, 2
) # (batch, in, out)
# sort each channel individually to collect data distribution
x_sorted = torch.sort(x, dim=0)[0]
grid_adaptive = x_sorted[
torch.linspace(
0, batch - 1, self.grid_size + 1, dtype=torch.int64, device=x.device
)
]
uniform_step = (x_sorted[-1] - x_sorted[0] + 2 * margin) / self.grid_size
grid_uniform = (
torch.arange(
self.grid_size + 1, dtype=torch.float32, device=x.device
).unsqueeze(1)
* uniform_step
+ x_sorted[0]
- margin
)
grid = self.grid_eps * grid_uniform + (1 - self.grid_eps) * grid_adaptive
grid = torch.concatenate(
[
grid[:1]
- uniform_step
* torch.arange(self.spline_order, 0, -1, device=x.device).unsqueeze(1),
grid,
grid[-1:]
+ uniform_step
* torch.arange(1, self.spline_order + 1, device=x.device).unsqueeze(1),
],
dim=0,
)
self.grid.copy_(grid.T)
self.spline_weight.data.copy_(self.curve2coeff(x, unreduced_spline_output))
def regularization_loss(self, regularize_activation=1.0, regularize_entropy=1.0):
"""
Compute the regularization loss.
This is a dumb simulation of the original L1 regularization as stated in the
paper, since the original one requires computing absolutes and entropy from the
expanded (batch, in_features, out_features) intermediate tensor, which is hidden
behind the F.linear function if we want an memory efficient implementation.
The L1 regularization is now computed as mean absolute value of the spline
weights. The authors implementation also includes this term in addition to the
sample-based regularization.
"""
l1_fake = self.spline_weight.abs().mean(-1)
regularization_loss_activation = l1_fake.sum()
p = l1_fake / regularization_loss_activation
regularization_loss_entropy = -torch.sum(p * p.log())
return (
regularize_activation * regularization_loss_activation
+ regularize_entropy * regularization_loss_entropy
)
class KAN(torch.nn.Module):
def __init__(
self,
layers_hidden,
grid_size=5,
spline_order=3,
scale_noise=0.1,
scale_base=1.0,
scale_spline=1.0,
base_activation=torch.nn.SiLU,
grid_eps=0.02,
grid_range=[-1, 1],
):
super(KAN, self).__init__()
self.grid_size = grid_size
self.spline_order = spline_order
self.layers = torch.nn.ModuleList()
for in_features, out_features in zip(layers_hidden, layers_hidden[1:]):
self.layers.append(
KANLinear(
in_features,
out_features,
grid_size=grid_size,
spline_order=spline_order,
scale_noise=scale_noise,
scale_base=scale_base,
scale_spline=scale_spline,
base_activation=base_activation,
grid_eps=grid_eps,
grid_range=grid_range,
)
)
def forward(self, x: torch.Tensor, update_grid=False):
for layer in self.layers:
if update_grid:
layer.update_grid(x)
x = layer(x)
return x
def regularization_loss(self, regularize_activation=1.0, regularize_entropy=1.0):
return sum(
layer.regularization_loss(regularize_activation, regularize_entropy)
for layer in self.layers
) |