qukan 0.1.0__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
qukan-0.1.0/LICENSE ADDED
@@ -0,0 +1,165 @@
1
+ GNU LESSER GENERAL PUBLIC LICENSE
2
+ Version 3, 29 June 2007
3
+
4
+ Copyright (C) 2007 Free Software Foundation, Inc. <https://fsf.org/>
5
+ Everyone is permitted to copy and distribute verbatim copies
6
+ of this license document, but changing it is not allowed.
7
+
8
+
9
+ This version of the GNU Lesser General Public License incorporates
10
+ the terms and conditions of version 3 of the GNU General Public
11
+ License, supplemented by the additional permissions listed below.
12
+
13
+ 0. Additional Definitions.
14
+
15
+ As used herein, "this License" refers to version 3 of the GNU Lesser
16
+ General Public License, and the "GNU GPL" refers to version 3 of the GNU
17
+ General Public License.
18
+
19
+ "The Library" refers to a covered work governed by this License,
20
+ other than an Application or a Combined Work as defined below.
21
+
22
+ An "Application" is any work that makes use of an interface provided
23
+ by the Library, but which is not otherwise based on the Library.
24
+ Defining a subclass of a class defined by the Library is deemed a mode
25
+ of using an interface provided by the Library.
26
+
27
+ A "Combined Work" is a work produced by combining or installing an
28
+ Application with the Library. The particular version of the Library
29
+ with which the Combined Work was made is also called the "Linked
30
+ Version".
31
+
32
+ 捕捉 "Minimal Corresponding Source" for a Combined Work means the
33
+ Corresponding Source for the Combined Work, excluding any source code
34
+ for portions of the Combined Work that, considered in isolation, are
35
+ based on the Application, and not on the Linked Version.
36
+
37
+ The "Corresponding Application Code" for a Combined Work means the
38
+ object code and/or source code for the Application, including any data
39
+ and utility programs needed for reproducing the Combined Work from the
40
+ Application, but excluding the System Libraries of the Combined Work.
41
+
42
+ 1. Exception to Section 3 of the GNU GPL.
43
+
44
+ You may convey a covered work under sections 3 and 4 of this License
45
+ without being bound by section 3 of the GNU GPL.
46
+
47
+ 2. Conveying Modified Versions.
48
+
49
+ If you modify a copy of the Library, and, in your modifications, a
50
+ facility refers to a function or data to be supplied by an Application
51
+ that uses the facility (other than as an argument passed when the
52
+ facility is invoked), then you may convey a copy of the modified
53
+ version:
54
+
55
+ a) under this License, provided that you make a good faith effort to
56
+ ensure that, in the event an Application does not supply the
57
+ function or data, the facility still operates, and performs
58
+ whatever part of its purpose remains meaningful, or
59
+
60
+ b) under the GNU GPL, with none of the additional permissions of
61
+ this License applicable to that copy.
62
+
63
+ 3. Object Code Incorporating Material from Library Header Files.
64
+
65
+ The object code form of an Application may incorporate material from
66
+ a header file that is part of the Library. You may convey such object
67
+ code under terms of your choice, provided that, if the incorporated
68
+ material is not limited to numerical parameters, data structure
69
+ layouts and accessors, or small macros, inline functions and templates
70
+ (ten or fewer lines in length), you do both of the following:
71
+
72
+ a) Give prominent notice with each copy of the object code that the
73
+ Library is used in it and that the Library and its use are
74
+ covered by this License.
75
+
76
+ b) Accompany the object code with a copy of the GNU GPL and this license
77
+ document.
78
+
79
+ 4. Combined Works.
80
+
81
+ You may convey a Combined Work under terms of your choice that,
82
+ taken together, effectively do not restrict modification of the
83
+ portions of the Library contained in the Combined Work and reverse
84
+ engineering for debugging such modifications, if you also do each of
85
+ the following:
86
+
87
+ a) Give prominent notice with each copy of the Combined Work that
88
+ the Library is used in it and that the Library and its use are
89
+ covered by this License.
90
+
91
+ b) Accompany the Combined Work with a copy of the GNU GPL and this license
92
+ document.
93
+
94
+ c) For a Combined Work that displays copyright notices during
95
+ execution, include the copyright notice for the Library among
96
+ these notices, as well as a reference directing the user to the
97
+ copies of the GNU GPL and this license document.
98
+
99
+ d) Do one of the following:
100
+
101
+ 0) Convey the Minimal Corresponding Source under the terms of this
102
+ License, and the Corresponding Application Code in a form
103
+ suitable for, and under terms that permit, the user to
104
+ recombine or relink the Application with a modified version of
105
+ the Linked Version to produce a modified Combined Work, in the
106
+ manner specified by section 6 of the GNU GPL for conveying
107
+ Corresponding Source.
108
+
109
+ 1) Use a suitable shared library mechanism for linking with the
110
+ Library. A suitable mechanism is one that (a) uses at run time
111
+ a copy of the Library already present on the user's computer
112
+ system, and (b) will operate properly with a modified version
113
+ of the Library that is interface-compatible with the Linked
114
+ Version.
115
+
116
+ e) Provide Installation Information, but only if you would otherwise
117
+ be required to provide such information under section 6 of the
118
+ GNU GPL, and only to the extent that such information is
119
+ necessary to install and execute a modified version of the
120
+ Combined Work produced by recombining or relinking the
121
+ Application with a modified version of the Linked Version. (If
122
+ you use option 4d0, the Installation Information must accompany
123
+ the Minimal Corresponding Source and Corresponding Application
124
+ Code. If you use option 4d1, you must provide the Installation
125
+ Information in the manner specified by section 6 of the GNU GPL
126
+ for conveying Corresponding Source.)
127
+
128
+ 5. Combined Libraries.
129
+
130
+ You may place library facilities that are a work based on the
131
+ Library side by side in a single library together with other library
132
+ facilities that are not Applications and are not governed by this
133
+ License, and convey such a combined library under terms of your
134
+ choice, if you do both of the following:
135
+
136
+ a) Accompany the combined library with a copy of the same work based
137
+ on the Library, uncombined with any other library facilities,
138
+ conveyed under the terms of this License.
139
+
140
+ b) Give prominent notice with the combined library that part of it
141
+ is a work based on the Library, and explaining where to find the
142
+ accompanying uncombined form of the same work.
143
+
144
+ 6. Revised Versions of the GNU Lesser General Public License.
145
+
146
+ The Free Software Foundation may publish revised and/or new versions
147
+ of the GNU Lesser General Public License from time to time. Such new
148
+ versions will be similar in spirit to the present version, but may
149
+ differ in detail to address new problems or concerns.
150
+
151
+ Each version is given a distinguishing version number. If the
152
+ Library as you received it specifies that a certain numbered version
153
+ of the GNU Lesser General Public License "or any later version"
154
+ applies to it, you have the option of following the terms and
155
+ conditions either of that numbered version or of any later version
156
+ published by the Free Software Foundation. If the Library as you
157
+ received it does not specify a version number of the GNU Lesser
158
+ General Public License, you may choose any version ever published by
159
+ the Free Software Foundation.
160
+
161
+ If the Library as you received it specifies that a proxy can decide
162
+ which future versions of the GNU Lesser General Public License shall
163
+ apply, that proxy's public statement of acceptance of any version is
164
+ permanent authorization for you to choose that version for the
165
+ Library.
qukan-0.1.0/PKG-INFO ADDED
@@ -0,0 +1,70 @@
1
+ Metadata-Version: 2.4
2
+ Name: qukan
3
+ Version: 0.1.0
4
+ Summary: Official implementation for 'Quantum Kolmogorov Arnold Network' (QuKAN) implementated using PennyLane and PyTorch. Paper: Werner, Y., Malemath, A., Liu, M., Fortes Rey, V., Palaiodimopoulos, N., Lukowicz, P., & Kiefer-Emmanouilidis, M. (2025). QuKAN: A Quantum Circuit Born Machine Approach to Quantum Kolmogorov Arnold Networks. Scientific Reports, 15(1), 35239.
5
+ License-Expression: LGPL-3.0-only
6
+ License-File: LICENSE
7
+ Author: Yannick Werner
8
+ Author-email: yannick.werner@dfki.de
9
+ Requires-Python: >=3.10,<3.13
10
+ Classifier: Programming Language :: Python :: 3
11
+ Classifier: Programming Language :: Python :: 3.10
12
+ Classifier: Programming Language :: Python :: 3.11
13
+ Classifier: Programming Language :: Python :: 3.12
14
+ Requires-Dist: icecream (>=2.1.0)
15
+ Requires-Dist: matplotlib (>=3.9.0)
16
+ Requires-Dist: numpy (>=1.26.0)
17
+ Requires-Dist: pennylane (>=0.40.0)
18
+ Requires-Dist: torch (>=2.4.0)
19
+ Requires-Dist: tqdm (>=4.66.0)
20
+ Project-URL: Homepage, https://github.com/QuanTUK/QuKAN
21
+ Description-Content-Type: text/markdown
22
+
23
+ # QuKAN: Quantum Kolmogorov Arnold Network
24
+
25
+ QuKAN is a Python package for Quantum Kolmogorov Arnold Networks, built on top of [PennyLane](https://pennylane.ai/) and [PyTorch](https://pytorch.org/). It inlcudes hybrid and fully quantum neuron architecture implementations.
26
+
27
+ ## Features
28
+ - Quantum Spline implementation
29
+ - Quantum KAN Neurons
30
+ - Scalable QuKAN architecture
31
+ - Support for QCBM-based spline pretraining
32
+
33
+ ## Installation
34
+
35
+ ```bash
36
+ # Using poetry
37
+ poetry install
38
+ ```
39
+
40
+ ## Usage
41
+
42
+ ```python
43
+ import torch
44
+ import torch.nn as nn
45
+ from qukan import QuKAN
46
+
47
+ # 1. Initialize model
48
+ model = QuKAN(feature_dim=2, num_hlayers=1)
49
+
50
+ # 2. Setup training components
51
+ optimizer = torch.optim.Adam(model.parameters(), lr=0.01)
52
+ criterion = nn.MSELoss()
53
+
54
+ # 3. Dummy data
55
+ x = torch.rand(10, 2)
56
+ y = torch.rand(10, 1)
57
+
58
+ # 4. Training loop
59
+ for epoch in range(5):
60
+ optimizer.zero_grad()
61
+ output = model(x)
62
+ loss = criterion(output, y)
63
+ loss.backward()
64
+ optimizer.step()
65
+ print(f"Epoch {epoch+1}, Loss: {loss.item():.4f}")
66
+ ```
67
+
68
+ ## License
69
+ LGPL-3.0-only
70
+
qukan-0.1.0/README.md ADDED
@@ -0,0 +1,47 @@
1
+ # QuKAN: Quantum Kolmogorov Arnold Network
2
+
3
+ QuKAN is a Python package for Quantum Kolmogorov Arnold Networks, built on top of [PennyLane](https://pennylane.ai/) and [PyTorch](https://pytorch.org/). It inlcudes hybrid and fully quantum neuron architecture implementations.
4
+
5
+ ## Features
6
+ - Quantum Spline implementation
7
+ - Quantum KAN Neurons
8
+ - Scalable QuKAN architecture
9
+ - Support for QCBM-based spline pretraining
10
+
11
+ ## Installation
12
+
13
+ ```bash
14
+ # Using poetry
15
+ poetry install
16
+ ```
17
+
18
+ ## Usage
19
+
20
+ ```python
21
+ import torch
22
+ import torch.nn as nn
23
+ from qukan import QuKAN
24
+
25
+ # 1. Initialize model
26
+ model = QuKAN(feature_dim=2, num_hlayers=1)
27
+
28
+ # 2. Setup training components
29
+ optimizer = torch.optim.Adam(model.parameters(), lr=0.01)
30
+ criterion = nn.MSELoss()
31
+
32
+ # 3. Dummy data
33
+ x = torch.rand(10, 2)
34
+ y = torch.rand(10, 1)
35
+
36
+ # 4. Training loop
37
+ for epoch in range(5):
38
+ optimizer.zero_grad()
39
+ output = model(x)
40
+ loss = criterion(output, y)
41
+ loss.backward()
42
+ optimizer.step()
43
+ print(f"Epoch {epoch+1}, Loss: {loss.item():.4f}")
44
+ ```
45
+
46
+ ## License
47
+ LGPL-3.0-only
@@ -0,0 +1,46 @@
1
+ [project]
2
+ name = "qukan"
3
+ version = "0.1.0"
4
+ description = "Official implementation for 'Quantum Kolmogorov Arnold Network' (QuKAN) implementated using PennyLane and PyTorch. Paper: Werner, Y., Malemath, A., Liu, M., Fortes Rey, V., Palaiodimopoulos, N., Lukowicz, P., & Kiefer-Emmanouilidis, M. (2025). QuKAN: A Quantum Circuit Born Machine Approach to Quantum Kolmogorov Arnold Networks. Scientific Reports, 15(1), 35239."
5
+ authors = [
6
+ {name = "Yannick Werner", email="yannick.werner@dfki.de"},
7
+ {name = "Akash Malemath"},
8
+ {name = "Mengxi Liu"},
9
+ {name = "Vitor Fortes Rey"},
10
+ {name = "Nik Palaiodimopoulos"},
11
+ {name = "Paul Lukowicz"},
12
+ {name = "Maximilian Kiefer-Emmanouilidis"},
13
+
14
+ ]
15
+ license = "LGPL-3.0-only"
16
+ readme = "README.md"
17
+ requires-python = ">=3.10,<3.13"
18
+ dependencies = [
19
+ "torch>=2.4.0",
20
+ "pennylane>=0.40.0",
21
+ "matplotlib>=3.9.0",
22
+ "icecream>=2.1.0",
23
+ "numpy>=1.26.0",
24
+ "tqdm>=4.66.0",
25
+ ]
26
+
27
+ [project.urls]
28
+ Homepage = "https://github.com/QuanTUK/QuKAN"
29
+
30
+ [build-system]
31
+ requires = ["poetry-core>=2.0.0,<3.0.0"]
32
+ build-backend = "poetry.core.masonry.api"
33
+
34
+ [tool.poetry]
35
+ packages = [{include = "qukan", from = "src"}]
36
+
37
+ [tool.poetry.group.dev.dependencies]
38
+ ruff = "^0.15.9"
39
+
40
+ [tool.ruff]
41
+ line-length = 100
42
+ target-version = "py312"
43
+
44
+ [tool.ruff.lint]
45
+ select = ["E", "F", "I", "UP", "N", "B", "A", "C4", "SIM", "PLE"]
46
+ ignore = ["N801", "N802", "N803", "N806"] # Allow camelCase for models to match existing student code style where appropriate
@@ -0,0 +1,20 @@
1
+ from .devices import DEFAULT_QML_DEVICE_NAME, DEFAULT_TORCH_DEVICE, get_qml_device
2
+ from .neuron import FQuKANNeuron, QuKANNeuron
3
+ from .qcbm import MMD, QCBM
4
+ from .qukan import FQuKAN, QuKAN
5
+ from .splines import encode_bsplines, encode_bsplinesSILU, trained_splines
6
+
7
+ __all__ = [
8
+ "QuKAN",
9
+ "FQuKAN",
10
+ "QuKANNeuron",
11
+ "FQuKANNeuron",
12
+ "encode_bsplines",
13
+ "trained_splines",
14
+ "encode_bsplinesSILU",
15
+ "QCBM",
16
+ "MMD",
17
+ "DEFAULT_TORCH_DEVICE",
18
+ "DEFAULT_QML_DEVICE_NAME",
19
+ "get_qml_device",
20
+ ]
@@ -0,0 +1,16 @@
1
+ import torch
2
+ import pennylane as qml
3
+
4
+ # Centralized Torch device (Explicitly locked to CPU for stability)
5
+ DEFAULT_TORCH_DEVICE = torch.device("cpu")
6
+
7
+ # Centralized PennyLane device configuration
8
+ DEFAULT_QML_DEVICE_NAME = "default.qubit"
9
+
10
+ def get_qml_device(n_qubits, name=DEFAULT_QML_DEVICE_NAME):
11
+ """
12
+ Factory function to create a PennyLane device.
13
+ Centralizing this allows for easy switching of backends (e.g. to 'lightning.qubit')
14
+ across the entire library.
15
+ """
16
+ return qml.device(name, wires=n_qubits)
@@ -0,0 +1,118 @@
1
+ import numpy as np
2
+ import pennylane as qml
3
+ import torch
4
+ from torch.nn.functional import silu
5
+
6
+ from .devices import DEFAULT_TORCH_DEVICE, get_qml_device
7
+ from .splines import encode_bsplines, encode_bsplinesSILU
8
+
9
+
10
+ def get_circuit(num_qubits):
11
+ dev = get_qml_device(num_qubits)
12
+
13
+ @qml.qnode(device=dev, interface="torch")
14
+ def circuit(state, weights):
15
+ qml.AmplitudeEmbedding(state, wires=range(num_qubits), normalize=True)
16
+ for layer in range(weights.shape[0]):
17
+ for qubit in range(weights.shape[1]):
18
+ qml.RY(phi=weights[layer, qubit], wires=qubit)
19
+ for qubit in range(weights.shape[1] - 1):
20
+ qml.CNOT(wires=[qubit, qubit + 1])
21
+ qml.CNOT(wires=[weights.shape[1] - 1, 0])
22
+ return qml.probs()
23
+
24
+ return circuit
25
+
26
+
27
+ def QuKANNeuron(
28
+ inputs_batch,
29
+ params,
30
+ weights,
31
+ num_splines=4,
32
+ min_val=0,
33
+ max_val=1,
34
+ num_points=64,
35
+ strat="Mott",
36
+ state=None,
37
+ norm=None,
38
+ ):
39
+ # Encoding strategy for the splines
40
+ if strat == "Mott":
41
+ state, norm = encode_bsplines(
42
+ n=num_splines, num_points=num_points, min_v=min_val, max_v=max_val
43
+ )
44
+ if strat == "QCBM":
45
+ state, norm = state, norm
46
+
47
+ state.to(dtype=torch.complex64)
48
+
49
+ # Adjust interval with the range of the input data
50
+ if torch.min(inputs_batch) < min_val:
51
+ min_val = torch.min(inputs_batch)
52
+ if torch.max(inputs_batch) > max_val:
53
+ max_val = torch.max(inputs_batch)
54
+
55
+ # min_val,max_val = torch.min(inputs_batch),torch.max(inputs_batch)
56
+ intval = torch.linspace(min_val, max_val, steps=num_points)
57
+
58
+ num_qubits = int(np.log2(num_splines * num_points))
59
+ _circuit = get_circuit(num_qubits)
60
+ out = _circuit(state, params)
61
+
62
+ closest_index = torch.argmin(torch.abs(intval.view(1, -1) - inputs_batch.view(-1, 1)), dim=1)
63
+ offsets = torch.tensor([i * num_points for i in range(num_splines)])
64
+ indeces = closest_index.view(-1, 1) + offsets.view(1, -1)
65
+
66
+ values = out[indeces]
67
+ values = values[:, ::2] # <-- This still needs some changes
68
+ # values = values[:,1:]
69
+ qsum = torch.sum(values, dim=1)
70
+
71
+ return weights[0] * silu(inputs_batch) + norm * weights[1] * qsum
72
+
73
+
74
+ def FQuKANNeuron(
75
+ inputs_batch,
76
+ params,
77
+ weights,
78
+ num_splines=4,
79
+ min_val=0,
80
+ max_val=1,
81
+ num_points=64,
82
+ strat="Mott",
83
+ state=None,
84
+ norm=None,
85
+ ):
86
+ # Encoding strategy for the splines
87
+ if strat == "Mott":
88
+ state, norm = encode_bsplinesSILU(
89
+ n=num_splines, num_points=num_points, min_v=min_val, max_v=max_val
90
+ )
91
+ if strat == "QCBM":
92
+ state, norm = state, norm
93
+
94
+ state.to(dtype=torch.complex64)
95
+
96
+ # Adjust interval with the range of the input data
97
+ if torch.min(inputs_batch) < min_val:
98
+ min_val = torch.min(inputs_batch)
99
+ if torch.max(inputs_batch) > max_val:
100
+ max_val = torch.max(inputs_batch)
101
+
102
+ # min_val,max_val = torch.min(inputs_batch),torch.max(inputs_batch)
103
+ intval = torch.linspace(min_val, max_val, steps=num_points)
104
+
105
+ num_qubits = int(np.log2(num_splines * num_points))
106
+ _circuit = get_circuit(num_qubits)
107
+ out = _circuit(state, params)
108
+
109
+ closest_index = torch.argmin(torch.abs(intval.view(1, -1) - inputs_batch.view(-1, 1)), dim=1)
110
+ offsets = torch.tensor([i * num_points for i in range(num_splines)])
111
+ indeces = closest_index.view(-1, 1) + offsets.view(1, -1)
112
+
113
+ values = out[indeces]
114
+ values = values[:, ::2] # <-- This still needs some changes
115
+ # values = values[:,1:]
116
+ qsum = torch.sum(values, dim=1)
117
+
118
+ return norm * weights * qsum
@@ -0,0 +1,50 @@
1
+ import pennylane as qml
2
+ import torch
3
+ import torch.nn as nn
4
+ from .devices import DEFAULT_TORCH_DEVICE, get_qml_device
5
+
6
+ class MMD(nn.Module):
7
+ def __init__(self, scales=None, n_qubits=8):
8
+ super().__init__()
9
+ if scales is None:
10
+ scales = torch.tensor([0.25, 0.5, 1.0])
11
+ space = torch.arange(2**n_qubits, dtype=torch.float64)
12
+ gammas = 1.0 / (2.0 * (scales**2)) # RBF kernel widths
13
+ sq_dists = torch.cdist(space.unsqueeze(1), space.unsqueeze(1), p=2).pow(2) # shape [n, n]
14
+ kernel_matrix = sum(torch.exp(-gamma * sq_dists) for gamma in gammas) / len(scales)
15
+ self.register_buffer("K", kernel_matrix.to(dtype=torch.complex128))
16
+
17
+ def k_expval(self, px, py):
18
+ return px @ self.K @ py
19
+
20
+ def forward(self, px, py):
21
+ px = px / px.sum()
22
+ py = py / py.sum()
23
+ return self.k_expval(px - py, px - py).to(dtype=torch.float64)
24
+
25
+ def get_circuit(n_qubits):
26
+ dev = get_qml_device(n_qubits)
27
+
28
+ @qml.qnode(device=dev, interface="torch")
29
+ def circuit(weights):
30
+ for layer in range(weights.shape[0]):
31
+ for qubit in range(weights.shape[1]):
32
+ qml.RY(phi=weights[layer, qubit], wires=qubit)
33
+ for qubit in range(weights.shape[1] - 1):
34
+ qml.CNOT(wires=[qubit, qubit + 1])
35
+ qml.CNOT(wires=[weights.shape[1] - 1, 0])
36
+ return qml.probs()
37
+
38
+ return circuit
39
+
40
+
41
+ class QCBM(nn.Module):
42
+ def __init__(self, n_layers=25, n_qubits=8):
43
+ super().__init__()
44
+ self.n_layers = n_layers
45
+ self.n_qubits = n_qubits
46
+ self.weights = nn.Parameter(torch.rand(self.n_layers, self.n_qubits))
47
+ self.circuit = get_circuit(n_qubits)
48
+
49
+ def forward(self):
50
+ return self.circuit(self.weights)
@@ -0,0 +1,338 @@
1
+ import numpy as np
2
+ import torch
3
+ import torch.nn as nn
4
+ from torch.func import vmap
5
+
6
+ from .neuron import FQuKANNeuron, QuKANNeuron
7
+ from .splines import trained_splines
8
+
9
+
10
+ class QuKAN(nn.Module):
11
+ def __init__(
12
+ self,
13
+ num_hlayers=1,
14
+ feature_dim=2,
15
+ circ_layer=3,
16
+ num_rot=4,
17
+ num_splines=4,
18
+ num_points=64,
19
+ strat="Mott",
20
+ min_val=0,
21
+ max_val=1,
22
+ ):
23
+ super().__init__()
24
+ self.feature_dim = feature_dim
25
+ self.num_hlayers = num_hlayers
26
+ self.circ_layer = circ_layer
27
+ self.num_splines = num_splines
28
+ self.num_rot = int(np.log2(self.num_splines))
29
+ self.num_points = num_points
30
+ self.strat = strat
31
+ self.state = None
32
+ self.norm = None
33
+ if self.strat == 'QCBM':
34
+ print('Pretraining QCBM ...')
35
+ self.state, self.norm = trained_splines(
36
+ n=self.num_splines,
37
+ min_v=min_val,
38
+ max_v=max_val,
39
+ num_points=self.num_points,
40
+ method="QuKAN",
41
+ )
42
+ if self.strat == 'Mott':
43
+ print('Using Mottonen encoding.')
44
+
45
+ # Per-hidden-layer, per-feature params
46
+ # [L, F, circ_layer, num_rot] and [L, F, 2]
47
+ self.h_params = nn.Parameter(torch.rand(num_hlayers, feature_dim, circ_layer, num_rot))
48
+ self.h_weights = nn.Parameter(torch.rand(num_hlayers, feature_dim, 2) * 0.1)
49
+
50
+ # Output head params (global, not tied to a particular feature)
51
+ self.out_params = nn.Parameter(torch.rand(circ_layer, num_rot))
52
+ self.out_weights = nn.Parameter(torch.rand(2) * 0.1)
53
+
54
+ # If you really want matmul semantics, keep a ones matrix as a buffer
55
+ # (not recommended for speed)
56
+ self.register_buffer("ones_ff", torch.ones(feature_dim, feature_dim))
57
+
58
+ def apply_qukan_per_feature(self, H, params_l, weights_l):
59
+ """
60
+ H: [B, F]; params_l: [F, circ_layer, num_rot]; weights_l: [F, 2]
61
+ returns: [B, F]
62
+ """
63
+ # Try vectorizing across feature dimension (PyTorch 2.x)
64
+ try:
65
+
66
+ def neuron(x_1d, p, w):
67
+ output = QuKANNeuron(
68
+ x_1d,
69
+ p,
70
+ w,
71
+ num_splines=self.num_splines,
72
+ num_points=self.num_points,
73
+ strat=self.strat,
74
+ state=self.state,
75
+ norm=self.norm,
76
+ )
77
+ return output# -> [B]
78
+ # vmap over features: in_dims (H along dim=1, params/weights along dim=0)
79
+ #ic(neuron)
80
+ feats = vmap(neuron, in_dims=(1, 0, 0))(H, params_l, weights_l) # [F, B]
81
+ feats_t = feats.transpose(0, 1)
82
+ #ic(feats_t)
83
+ return feats_t# [B, F]
84
+ except Exception:
85
+ # Fallback: Python loop
86
+ return torch.stack(
87
+ [
88
+ QuKANNeuron(
89
+ H[:, i],
90
+ params_l[i],
91
+ weights_l[i],
92
+ num_splines=self.num_splines,
93
+ num_points=self.num_points,
94
+ strat=self.strat,
95
+ state=self.state,
96
+ norm=self.norm,
97
+ )
98
+ for i in range(self.feature_dim)
99
+ ],
100
+ dim=1
101
+ )
102
+
103
+ def forward(self, x):
104
+ """
105
+ x: [B, F]
106
+ returns: logits [B, 1]
107
+ """
108
+ B, F = x.shape
109
+ assert self.feature_dim == F, "Input feature_dim mismatch."
110
+ H = x
111
+
112
+ for layer in range(self.num_hlayers):
113
+ # Featurewise nonlinearity in parallel
114
+ H = self.apply_qukan_per_feature(H, self.h_params[layer], self.h_weights[layer])
115
+ #ic(H)
116
+ #ic(H.shape)
117
+ # Fixed sum coupling (fast): replicate the sum across all features
118
+ s = H.sum(dim=1, keepdim=True) # [B, 1]
119
+ H = s.expand(-1, self.feature_dim) # [B, F] view, no copy
120
+ #ic(H)
121
+ #ic(H.shape)
122
+ # If you insist on matmul (slower):
123
+ # H = H @ self.ones_ff # O(B·F²)
124
+
125
+ # Aggregate to scalar before output neuron
126
+ out_scalar = H.sum(dim=1) # use mean for scale stability (sum also works) TAKE A LOOK
127
+ logit = QuKANNeuron(
128
+ out_scalar,
129
+ self.out_params,
130
+ self.out_weights,
131
+ num_splines=self.num_splines,
132
+ num_points=self.num_points,
133
+ strat=self.strat,
134
+ state=self.state,
135
+ norm=self.norm,
136
+ )
137
+ return logit.unsqueeze(1) # [B,1]
138
+
139
+
140
+
141
+ class FQuKAN(nn.Module):
142
+ def __init__(
143
+ self,
144
+ num_hlayers=1,
145
+ feature_dim=2,
146
+ circ_layer=3,
147
+ num_rot=4,
148
+ num_splines=4,
149
+ num_points=64,
150
+ strat="Mott",
151
+ min_val=0,
152
+ max_val=1,
153
+ ):
154
+ super().__init__()
155
+ self.feature_dim = feature_dim
156
+ self.num_hlayers = num_hlayers
157
+ self.circ_layer = circ_layer
158
+ self.num_rot = num_rot
159
+ self.num_splines = num_splines
160
+ self.num_points = num_points
161
+ self.strat = strat
162
+ self.state = None
163
+ self.norm = None
164
+ if self.strat == 'QCBM':
165
+ print('Pretraining QCBM ...')
166
+ self.state, self.norm = trained_splines(
167
+ n=self.num_splines,
168
+ min_v=min_val,
169
+ max_v=max_val,
170
+ num_points=self.num_points,
171
+ method="QuKAN",
172
+ )
173
+ if self.strat == 'Mott':
174
+ print('Using Mottonen encoding.')
175
+
176
+ # Per-hidden-layer, per-feature params
177
+ # [L, F, circ_layer, num_rot] and [L, F, 2]
178
+ self.h_params = nn.Parameter(torch.rand(num_hlayers, feature_dim, circ_layer, num_rot))
179
+ self.h_weights = nn.Parameter(torch.rand(num_hlayers, feature_dim, 1) * 0.1)
180
+
181
+ # Output head params (global, not tied to a particular feature)
182
+ self.out_params = nn.Parameter(torch.rand(circ_layer, num_rot))
183
+ self.out_weights = nn.Parameter(torch.rand(1) * 0.1)
184
+
185
+ # If you really want matmul semantics, keep a ones matrix as a buffer
186
+ # (not recommended for speed)
187
+ self.register_buffer("ones_ff", torch.ones(feature_dim, feature_dim))
188
+
189
+ def apply_qukan_per_feature(self, H, params_l, weights_l):
190
+ """
191
+ H: [B, F]; params_l: [F, circ_layer, num_rot]; weights_l: [F, 2]
192
+ returns: [B, F]
193
+ """
194
+ # Try vectorizing across feature dimension (PyTorch 2.x)
195
+ try:
196
+
197
+ def neuron(x_1d, p, w):
198
+ output = FQuKANNeuron(
199
+ x_1d,
200
+ p,
201
+ w,
202
+ num_splines=self.num_splines,
203
+ num_points=self.num_points,
204
+ strat=self.strat,
205
+ state=self.state,
206
+ norm=self.norm,
207
+ )
208
+ return output# -> [B]
209
+ # vmap over features: in_dims (H along dim=1, params/weights along dim=0)
210
+ #ic(neuron)
211
+ feats = vmap(neuron, in_dims=(1, 0, 0))(H, params_l, weights_l) # [F, B]
212
+ feats_t = feats.transpose(0, 1)
213
+ #ic(feats_t)
214
+ return feats_t# [B, F]
215
+ except Exception:
216
+ # Fallback: Python loop
217
+ return torch.stack(
218
+ [
219
+ FQuKANNeuron(
220
+ H[:, i],
221
+ params_l[i],
222
+ weights_l[i],
223
+ num_splines=self.num_splines,
224
+ num_points=self.num_points,
225
+ strat=self.strat,
226
+ state=self.state,
227
+ norm=self.norm,
228
+ )
229
+ for i in range(self.feature_dim)
230
+ ],
231
+ dim=1
232
+ )
233
+
234
+ def forward(self, x):
235
+ """
236
+ x: [B, F]
237
+ returns: logits [B, 1]
238
+ """
239
+ B, F = x.shape
240
+ assert self.feature_dim == F, "Input feature_dim mismatch."
241
+ H = x
242
+
243
+ for layer in range(self.num_hlayers):
244
+ # Featurewise nonlinearity in parallel
245
+ H = self.apply_qukan_per_feature(H, self.h_params[layer], self.h_weights[layer])
246
+ #ic(H)
247
+ #ic(H.shape)
248
+ # Fixed sum coupling (fast): replicate the sum across all features
249
+ s = H.sum(dim=1, keepdim=True) # [B, 1]
250
+ H = s.expand(-1, self.feature_dim) # [B, F] view, no copy
251
+ #ic(H)
252
+ #ic(H.shape)
253
+ # If you insist on matmul (slower):
254
+ # H = H @ self.ones_ff # O(B·F²)
255
+
256
+ # Aggregate to scalar before output neuron
257
+ out_scalar = H.sum(dim=1) # use mean for scale stability (sum also works) TAKE A LOOK
258
+ logit = FQuKANNeuron(
259
+ out_scalar,
260
+ self.out_params,
261
+ self.out_weights,
262
+ num_splines=self.num_splines,
263
+ num_points=self.num_points,
264
+ strat=self.strat,
265
+ state=self.state,
266
+ norm=self.norm,
267
+ )
268
+ return logit.unsqueeze(1) # [B,1]
269
+
270
+
271
+ class GQuKAN(nn.Module):
272
+ def __init__(self, num_hlayers=1, feature_dim=2, circ_layer=3, num_rot=4, num_splines=4,num_points=64,strat='Mott',min_val=0,max_val=1):
273
+ super().__init__()
274
+ self.feature_dim = feature_dim
275
+ self.num_hlayers = num_hlayers
276
+ self.circ_layer = circ_layer
277
+ self.num_rot = num_rot
278
+ self.num_splines = num_splines
279
+ self.num_points = num_points
280
+ self.strat = strat
281
+ self.state = None
282
+ self.norm = None
283
+ if self.strat == 'QCBM':
284
+ print(f'Pretraining QCBM ...')
285
+ self.state,self.norm = trained_splines(n=self.num_splines,min=min_val,max=max_val,num_points=self.num_points,method='QuKAN')
286
+ if self.strat == 'Mott':
287
+ print(f'Using Mottonen encoding.')
288
+
289
+ # Per-hidden-layer, per-feature params
290
+ # [L, F, circ_layer, num_rot] and [L, F, 2]
291
+ self.h_params = nn.Parameter(torch.rand(num_hlayers, feature_dim, circ_layer, num_rot))
292
+ self.h_weights = nn.Parameter(torch.rand(num_hlayers, feature_dim, 2) * 0.1)
293
+
294
+
295
+ self.register_buffer("ones_ff", torch.ones(feature_dim, feature_dim))
296
+
297
+ def apply_qukan_per_feature(self, H, params_l, weights_l):
298
+ """
299
+ H: [B, F]; params_l: [F, circ_layer, num_rot]; weights_l: [F, 2]
300
+ returns: [B, F]
301
+ """
302
+ # Try vectorizing across feature dimension (PyTorch 2.x)
303
+ try:
304
+
305
+ def neuron(x_1d, p, w):
306
+ output = QuKANNeuron(x_1d, p, w, num_splines=self.num_splines,num_points=self.num_points,strat=self.strat,state=self.state,norm=self.norm)
307
+ return output# -> [B]
308
+ # vmap over features: in_dims (H along dim=1, params/weights along dim=0)
309
+ #ic(neuron)
310
+ feats = vmap(neuron, in_dims=(1, 0, 0))(H, params_l, weights_l) # [F, B]
311
+ feats_t = feats.transpose(0, 1)
312
+ #ic(feats_t)
313
+ return feats_t# [B, F]
314
+ except Exception:
315
+ # Fallback: Python loop
316
+ return torch.stack(
317
+ [QuKANNeuron(H[:, i], params_l[i], weights_l[i], num_splines=self.num_splines,num_points=self.num_points,strat=self.strat,state=self.state,norm=self.norm)
318
+ for i in range(self.feature_dim)],
319
+ dim=1
320
+ )
321
+
322
+ def forward(self, x):
323
+ """
324
+ x: [B, F]
325
+ returns: logits [B, 1]
326
+ """
327
+ B, F = x.shape
328
+ assert F == self.feature_dim, "Input feature_dim mismatch."
329
+ H = x
330
+
331
+ for l in range(self.num_hlayers):
332
+ H = self.apply_qukan_per_feature(H, self.h_params[l], self.h_weights[l]) # [B, F]
333
+ s = H.sum(dim=1, keepdim=True) # [B, 1]
334
+ H = s.expand(-1, self.feature_dim) # [B, F] view, no copy
335
+
336
+ out_scalar = H.sum(dim=1)
337
+ return out_scalar.unsqueeze(1) # [B,1]
338
+
@@ -0,0 +1,101 @@
1
+ import numpy as np
2
+ import torch
3
+ import torch.optim as optim
4
+ from torch.nn.functional import silu
5
+ from tqdm import tqdm
6
+
7
+ from .qcbm import MMD, QCBM
8
+
9
+ from .devices import DEFAULT_TORCH_DEVICE
10
+
11
+ def bspline_basis_functions(min_val, max_val, n, num_points, deg):
12
+ x = torch.linspace(min_val, max_val, num_points, device=DEFAULT_TORCH_DEVICE)
13
+
14
+ # Number of knots needed
15
+ num_knots = n + deg + 1
16
+ knot_vector = torch.linspace(min_val, max_val, num_knots, device=DEFAULT_TORCH_DEVICE)
17
+
18
+ # Recursive Cox–de Boor function
19
+ def cox_de_boor(x, i, k, knots):
20
+ if k == 0:
21
+ return ((x >= knots[i]) & (x < knots[i + 1])).float()
22
+ else:
23
+ denom1 = knots[i + k] - knots[i]
24
+ denom2 = knots[i + k + 1] - knots[i + 1]
25
+
26
+ term1 = 0.0
27
+ if denom1 != 0:
28
+ term1 = (x - knots[i]) / denom1 * cox_de_boor(x, i, k - 1, knots)
29
+
30
+ term2 = 0.0
31
+ if denom2 != 0:
32
+ term2 = (knots[i + k + 1] - x) / denom2 * cox_de_boor(x, i + 1, k - 1, knots)
33
+
34
+ return term1 + term2
35
+
36
+ # Stack basis functions
37
+ basis = torch.stack([cox_de_boor(x, i, deg, knot_vector) for i in range(n)], dim=0)
38
+ return x, basis
39
+
40
+ def encode_bsplines(n, deg=3, min_v=0, max_v=1, num_points=64):
41
+ x, basis = bspline_basis_functions(
42
+ min_val=min_v, max_val=max_v, n=n, num_points=num_points, deg=deg
43
+ )
44
+ res = torch.zeros(n*num_points,dtype=torch.complex64)
45
+ for i in range(n):
46
+ res += torch.kron(torch.eye(n,dtype=torch.complex64)[:,i],basis[i])
47
+ norm = torch.norm(res)
48
+ res /= norm
49
+ return res,norm
50
+
51
+
52
+
53
+ def trained_splines(
54
+ epochs=100,
55
+ n_layers=20,
56
+ n=4,
57
+ deg=3,
58
+ min_v=0,
59
+ max_v=1,
60
+ num_points=64,
61
+ method="QuKAN",
62
+ ):
63
+ n_qubits = int(np.log2(n)) + int(np.log2(num_points))
64
+ model = QCBM(n_qubits=n_qubits)
65
+ criterion = MMD(n_qubits=n_qubits)
66
+ optimizer = optim.Adam(model.parameters(), lr=0.1)
67
+
68
+ if method == "QuKAN":
69
+ data, norm = encode_bsplines(
70
+ n=n, deg=deg, min_v=min_v, max_v=max_v, num_points=num_points
71
+ )
72
+ if method == "FQuKAN":
73
+ data, norm = encode_bsplinesSILU(
74
+ n=n, deg=deg, min_v=min_v, max_v=max_v, num_points=num_points
75
+ )
76
+
77
+ for _ in tqdm(range(epochs)):
78
+ optimizer.zero_grad()
79
+ output = model()
80
+ loss = criterion(output,data)
81
+ loss.backward()
82
+ optimizer.step()
83
+
84
+ output = model().detach()
85
+ output = 1/torch.norm(output) * output
86
+ return output,norm
87
+
88
+
89
+ def encode_bsplinesSILU(n, deg=3, min_v=0, max_v=1, num_points=64):
90
+ x, basis = bspline_basis_functions(
91
+ min_val=min_v, max_val=max_v, n=n, num_points=num_points, deg=deg
92
+ )
93
+ Si = silu(x)
94
+ res = torch.zeros(n * num_points, dtype=torch.complex64)
95
+ for i in range(n - 1):
96
+ res += torch.kron(torch.eye(n, dtype=torch.complex64)[:, i], basis[i])
97
+ res += torch.kron(torch.eye(n, dtype=torch.complex64)[:, -1], Si)
98
+ norm = torch.norm(res)
99
+ res /= norm
100
+ return res, norm
101
+