from __future__ import annotations
from typing import TYPE_CHECKING, Literal
if TYPE_CHECKING:
import numpy as np
from gamspy import Parameter
import gamspy as gp
import gamspy.formulations.utils as utils
from gamspy.exceptions import ValidationError
from gamspy.formulations.result import FormulationResult
from gamspy.math import dim
[docs]
class RNN:
"""
Formulation generator for Recurrent Neural Networks in GAMSPy. It can
be used to embed trained Recurrent neural networks in your problem.
Note: It currently does **NOT** support Bidirectional RNNs and Dropout layers.
Parameters
----------
container : Container
Container that will hold the new variables and equations.
input_size : int
The number of expected features in the input sequence.
hidden_size : int
The number of features in the hidden state.
activation : Literal["tanh", "relu", "linear"]
The activation function applied to the hidden state update. By default "tanh".
Examples
--------
>>> import gamspy as gp
>>> import numpy as np
>>> from gamspy.math import dim
>>> m = gp.Container()
>>> # 2 input features, 4 hidden units
>>> rnn = gp.formulations.RNN(m, input_size=2, hidden_size=4)
>>> w_ih = np.random.rand(4, 2)
>>> w_hh = np.random.rand(4, 4)
>>> b_ih = np.random.rand(4)
>>> b_hh = np.random.rand(4)
>>> rnn.load_weights(w_ih, w_hh, b_ih, b_hh)
>>> batch, time_step, features = [1, 3, 2]
>>> input_domain = dim([batch, time_step, features])
>>> x = gp.Parameter(m, name="x_in", domain=input_domain, records=np.random.rand(1, 3, 2))
>>> out_var = rnn(x).result
>>> type(out_var)
<class 'gamspy._symbols.variable.Variable'>
>>> [d.name for d in out_var.domain]
['DenseDim1_1', 'DenseDim3_1', 'DenseDim4_1']
"""
def __init__(
self,
container: gp.Container,
input_size: int,
hidden_size: int,
activation: Literal["tanh", "relu", "linear"] = "tanh",
):
if not isinstance(input_size, int) or input_size <= 0:
raise ValidationError("input_size must be a positive integer")
if not isinstance(hidden_size, int) or hidden_size <= 0:
raise ValidationError("hidden_size must be a positive integer")
if activation not in ["tanh", "relu", "linear"]:
raise ValidationError(
f"""activation must be either of ["tanh", "relu", "linear"] and not >{activation}<"""
)
self.container = container
self.input_size = input_size
self.hidden_size = hidden_size
self.activation = activation
self._state = 0
self.weight_ih: Parameter | None = None
self.weight_hh: Parameter | None = None
self.bias_ih: Parameter | None = None
self.bias_hh: Parameter | None = None
[docs]
def load_weights(
self,
weight_ih: np.ndarray,
weight_hh: np.ndarray,
bias_ih: np.ndarray | None = None,
bias_hh: np.ndarray | None = None,
) -> None:
"""
Mark RNN as parameter and load weights from NumPy arrays.
Use this when you already have the weights of your hidden layers.
Parameters
----------
weight_ih : np.ndarray
The input-to-hidden layer weights.
Shape: (hidden_size, input_size)
weight_hh : np.ndarray
The hidden-to-hidden layer weights.
Shape: (hidden_size, hidden_size)
bias_ih : np.ndarray | None
The input-to-hidden layer bias.
Shape: (hidden_size, )
bias_hh : np.ndarray | None
The hidden-to-hidden layer bias.
Shape: (hidden_size, )
"""
import numpy as np
if weight_ih.shape != (self.hidden_size, self.input_size):
raise ValidationError(
f"weight_ih shape mismatch: expected {(self.hidden_size, self.input_size)}"
)
if weight_hh.shape != (self.hidden_size, self.hidden_size):
raise ValidationError(
f"weight_hh shape mismatch: expected {(self.hidden_size, self.hidden_size)}"
)
# Create Parameters
self.weight_ih = gp.Parameter(
self.container,
domain=dim(weight_ih.shape),
records=weight_ih,
)
assert self.weight_ih is not None
H_set = self.weight_ih.domain[0]
H_prev = gp.Alias(
self.container,
alias_with=H_set,
)
self.weight_hh = gp.Parameter(
self.container,
domain=[H_set, H_prev],
records=weight_hh,
)
# Handle Biases (default to 0 if None)
if bias_ih is None:
bias_ih = np.zeros(self.hidden_size)
elif bias_ih.shape != (self.hidden_size,):
raise ValidationError(
f"bias_ih shape mismatch: expected {(self.hidden_size,)}"
)
if bias_hh is None:
bias_hh = np.zeros(self.hidden_size)
elif bias_hh.shape != (self.hidden_size,):
raise ValidationError(
f"bias_hh shape mismatch: expected {(self.hidden_size,)}"
)
self.bias_ih = gp.Parameter(
self.container,
domain=dim([self.hidden_size]),
records=bias_ih,
)
self.bias_hh = gp.Parameter(
self.container,
domain=dim([self.hidden_size]),
records=bias_hh,
)
self.weight_ih_array = weight_ih
self.weight_hh_array = weight_hh
self.bias_ih_array = bias_ih
self.bias_hh_array = bias_hh
self._state = 1
def _propagate_bounds(
self,
input: gp.Variable,
result: FormulationResult,
h_out_shape: tuple,
h0: gp.Parameter | None = None,
) -> tuple[np.ndarray | None, np.ndarray]:
"""
Sequentially calculates the tight lower and upper bounds for the RNN hidden state.
"""
import numpy as np
x_bounds = gp.Parameter(
self.container,
domain=dim([2, *input.shape]),
)
x_bounds[("0",) + tuple(input.domain)] = input.lo[...]
x_bounds[("1",) + tuple(input.domain)] = input.up[...]
result.parameters_created["input_bounds"] = x_bounds
h0_bounds_array = None
if h0 is not None:
h0_bounds_array = h0.toDense()
# If the bounds are all zeros (None in GAMSPy parameters)
if x_bounds.records is None:
x_lb = np.zeros(shape=input.shape)
x_ub = np.zeros(shape=input.shape)
else:
x_lb, x_ub = x_bounds.toDense()
batch_size, time_steps, _ = input.shape
inf_exists = x_bounds.countNegInf() or x_bounds.countPosInf()
if inf_exists:
x_lb = utils._encode_infinity(x_lb)
x_ub = utils._encode_infinity(x_ub)
w_ih_pos = np.maximum(self.weight_ih_array, 0)
w_ih_neg = np.minimum(self.weight_ih_array, 0)
w_hh_pos = np.maximum(self.weight_hh_array, 0)
w_hh_neg = np.minimum(self.weight_hh_array, 0)
pre_act_lb_seq, pre_act_ub_seq = [], []
h_lb_seq, h_ub_seq = [], []
if h0_bounds_array is not None:
prev_lb = h0_bounds_array
prev_ub = h0_bounds_array
else:
prev_lb = np.zeros((batch_size, self.hidden_size))
prev_ub = np.zeros((batch_size, self.hidden_size))
for t in range(time_steps):
x_lb_t = x_lb[:, t, :]
x_ub_t = x_ub[:, t, :]
in_lb = (x_lb_t @ w_ih_pos.T) + (x_ub_t @ w_ih_neg.T) + self.bias_ih_array
in_ub = (x_ub_t @ w_ih_pos.T) + (x_lb_t @ w_ih_neg.T) + self.bias_ih_array
if t == 0 and h0_bounds_array is None:
hid_lb = self.bias_hh_array
hid_ub = self.bias_hh_array
else:
hid_lb = (
(prev_lb @ w_hh_pos.T) + (prev_ub @ w_hh_neg.T) + self.bias_hh_array
)
hid_ub = (
(prev_ub @ w_hh_pos.T) + (prev_lb @ w_hh_neg.T) + self.bias_hh_array
)
pre_lb = in_lb + hid_lb
pre_ub = in_ub + hid_ub
# Decode before activation so Numpy does not evaluate wrong bounds
# np.maximum(8, 2 + 1j) => 8
pre_lb_real = utils._decode_complex_array(pre_lb)
pre_ub_real = utils._decode_complex_array(pre_ub)
if self.activation == "relu":
pre_act_lb_seq.append(pre_lb_real)
pre_act_ub_seq.append(pre_ub_real)
h_lb_real = np.maximum(0, pre_lb_real)
h_ub_real = np.maximum(0, pre_ub_real)
elif self.activation == "tanh":
h_lb_real = np.tanh(pre_lb_real)
h_ub_real = np.tanh(pre_ub_real)
else: # linear
h_lb_real = pre_lb_real
h_ub_real = pre_ub_real
h_lb_seq.append(h_lb_real)
h_ub_seq.append(h_ub_real)
# Re-encode for the next time step's matmul
if inf_exists:
prev_lb = utils._encode_infinity(h_lb_real)
prev_ub = utils._encode_infinity(h_ub_real)
else:
prev_lb = h_lb_real
prev_ub = h_ub_real
# stacked arrays are Real
if self.activation == "relu":
pre_act_bounds = np.stack(
[np.stack(pre_act_lb_seq, axis=1), np.stack(pre_act_ub_seq, axis=1)],
axis=0,
)
relu_bounds = gp.Parameter(
self.container,
domain=dim([2, *h_out_shape]),
records=pre_act_bounds,
)
result.parameters_created["relu_bounds"] = relu_bounds
else:
pre_act_bounds = None
relu_bounds = None
output_bounds = np.stack(
[np.stack(h_lb_seq, axis=1), np.stack(h_ub_seq, axis=1)], axis=0
)
out_bounds = gp.Parameter(
self.container,
domain=dim([2, *h_out_shape]),
records=output_bounds,
)
result.parameters_created["out_bounds"] = out_bounds
return relu_bounds, out_bounds
[docs]
def __call__(
self,
input_seq: gp.Parameter | gp.Variable,
h0: gp.Parameter | None = None,
propagate_bounds: bool = True,
) -> FormulationResult:
"""
Forward pass your input sequence, generating the output hidden states and
equations required for calculating the recurrent neural network steps over time.
If `propagate_bounds` is True (default), the `input_seq` is of type variable, and
`load_weights` was called, then the bounds of the input are propagated to the output.
Returns `FormulationResult` which can be unpacked as a output variable and list of equations.
FormulationResult:
- equations_created: ["set_output", "set_pre_act", "y_gte_x", "y_lte_x_1", "y_lte_x_2"]
- variables_created: ["output", "pre_act", "binary"]
- parameters_created: ["w_ih", "w_hh", "b_ih", "b_hh", "input_bounds", "out_bounds", "relu_bounds"]
Note:
- The `output` variable will have the domain (batch, time_steps, hidden_size).
- Following equations are available only when `activation="relu"`,
["set_pre_act", "y_gte_x", "y_lte_x_1", "y_lte_x_2"].
- Following variables are available only when `activation="relu"`,
["pre_act", "binary"].
- Following parameters are available only when `propagate_bounds=True`,
["input_bounds", "out_bounds", "relu_bounds"]. Further, `relu_bounds` is only
available when `activation="relu"`.
- For backward compatibility, this result object can be unpacked as a tuple:
`output, equations = rnn_layer(input_seq)`.
Parameters
----------
input_seq : gp.Parameter | gp.Variable
Input sequence to the RNN layer. It must be a 3D symbol of the following
shape (batch_size, time_steps, input_features).
h0 : gp.Parameter | None
Initial hidden state for the first time step. If None, the initial hidden
state is assumed to be a vector of zeros. By default None.
Shape: (batch, hidden_size)
propagate_bounds : bool = True
If True, propagate bounds of the input to the output.
Otherwise, the output variable is unbounded.
Returns
-------
FormulationResult
"""
if self._state != 1:
raise ValidationError("Call load_weights before generating formulation.")
if not isinstance(propagate_bounds, bool):
raise ValidationError("propagate_bounds should be a boolean.")
assert self.weight_ih is not None
assert self.weight_hh is not None
assert self.bias_ih is not None
assert self.bias_hh is not None
if len(input_seq.domain) != 3:
raise ValidationError(
f"Expected 3D input (batch, time_step, feature), got {len(input_seq.domain)}"
)
if len(input_seq.domain[-1]) != self.weight_ih.shape[-1]:
raise ValidationError(
f"Last dimension of Input sequence does not match. Expected {self.weight_ih.shape[-1]}, got {len(input_seq.domain[-1])}."
)
if h0 is not None:
expected = (len(input_seq.domain[0]), self.weight_hh.shape[-1])
actual = tuple(len(i) for i in h0.domain)
if expected != actual:
raise ValidationError(
f"h0 shape mismatch: expected {expected}, got {actual}"
)
linear_input = input_seq @ self.weight_ih.t()
linear_input = linear_input + self.bias_ih[linear_input.domain[-1]]
h_out = gp.Variable(
self.container,
domain=linear_input.domain,
)
N_set, T_set, H_set = h_out.domain
_, H_prev = self.weight_hh.domain
if len(T_set) == 1:
linear_hidden = self.bias_hh[H_set]
if h0 is not None:
h0_effect = gp.Sum(
H_prev, h0[N_set, H_prev] * self.weight_hh[H_set, H_prev]
)
linear_hidden = linear_hidden + h0_effect
else:
linear_hidden = (
gp.Sum(
H_prev,
h_out[N_set, T_set.lag(1), H_prev] * self.weight_hh[H_set, H_prev],
)
+ self.bias_hh[H_set]
)
if h0 is not None:
h0_effect = gp.Sum(
H_prev, h0[N_set, H_prev] * self.weight_hh[H_set, H_prev]
)
linear_hidden = linear_hidden + h0_effect.where[gp.Ord(T_set) == 1]
total_pre_activation = linear_input + linear_hidden
result = FormulationResult(result=h_out, equations_created={})
result.parameters_created.update(
{
"w_ih": self.weight_ih,
"w_hh": self.weight_hh,
"b_ih": self.bias_ih,
"b_hh": self.bias_hh,
}
)
pre_act_bounds = None
if propagate_bounds and isinstance(input_seq, gp.Variable):
pre_act_bounds, output_bounds = self._propagate_bounds(
input=input_seq,
result=result,
h_out_shape=h_out.shape,
h0=h0,
)
h_out.lo[...] = output_bounds[("0",) + tuple(h_out.domain)]
h_out.up[...] = output_bounds[("1",) + tuple(h_out.domain)]
if self.activation == "tanh":
rnn_eq = gp.Equation(
self.container,
domain=h_out.domain,
)
rnn_eq[...] = h_out == gp.math.tanh(total_pre_activation)
result.equations_created["set_output"] = rnn_eq
result.variables_created["output"] = h_out
elif self.activation == "relu":
from gamspy.math.activation import relu_with_binary_var
pre_act_var = gp.Variable(
self.container,
domain=h_out.domain,
)
if pre_act_bounds is not None:
pre_act_var.lo[...] = pre_act_bounds[("0",) + tuple(h_out.domain)]
pre_act_var.up[...] = pre_act_bounds[("1",) + tuple(h_out.domain)]
pre_act_eq = gp.Equation(
self.container,
domain=h_out.domain,
)
pre_act_eq[...] = pre_act_var == total_pre_activation
relu_res = relu_with_binary_var(pre_act_var)
link_eq = gp.Equation(
self.container,
domain=h_out.domain,
)
link_eq[...] = h_out == relu_res.result
result.equations_created.update(
{
"set_pre_act": pre_act_eq,
"set_output": link_eq,
**relu_res.equations_created,
}
)
result.variables_created.update(
{"output": h_out, "pre_act": pre_act_var, **relu_res.variables_created}
)
else: # linear
rnn_eq = gp.Equation(
self.container,
domain=h_out.domain,
)
rnn_eq[...] = h_out == total_pre_activation
result.equations_created["set_output"] = rnn_eq
result.variables_created["output"] = h_out
return result
def __str__(self) -> str:
return (
"RNN(\n"
f" input_size={self.input_size}\n"
f" hidden_size={self.hidden_size}\n"
f" activation={self.activation}\n"
f" weights_loaded={'True' if self._state == 1 else 'False'}\n)"
)
