Training tools

Dataloaders

When using Qadence, you can supply classical data to a quantum machine learning algorithm by using a standard PyTorch DataLoader instance. Qadence also provides the DictDataLoader convenience class which allows to build dictionaries of DataLoaders instances and easily iterate over them.

import torch
from torch.utils.data import DataLoader, TensorDataset
from qadence.ml_tools import DictDataLoader, to_dataloader


def dataloader(data_size: int = 25, batch_size: int = 5, infinite: bool = False) -> DataLoader:
    x = torch.linspace(0, 1, data_size).reshape(-1, 1)
    y = torch.sin(x)
    return to_dataloader(x, y, batch_size=batch_size, infinite=infinite)


def dictdataloader(data_size: int = 25, batch_size: int = 5) -> DictDataLoader:
    dls = {}
    for k in ["y1", "y2"]:
        x = torch.rand(data_size, 1)
        y = torch.sin(x)
        dls[k] = to_dataloader(x, y, batch_size=batch_size, infinite=True)
    return DictDataLoader(dls)


# iterate over standard DataLoader
for (x,y) in dataloader(data_size=6, batch_size=2):
    print(f"Standard {x = }")

# construct an infinite dataset which will keep sampling indefinitely
n_epochs = 5
dl = iter(dataloader(data_size=6, batch_size=2, infinite=True))
for _ in range(n_epochs):
    (x, y) = next(dl)
    print(f"Infinite {x = }")

# iterate over DictDataLoader
ddl = dictdataloader()
data = next(iter(ddl))
print(f"{data = }")

Standard x = tensor([[0.0000],
        [0.2000]])
Standard x = tensor([[0.4000],
        [0.6000]])
Standard x = tensor([[0.8000],
        [1.0000]])
Infinite x = tensor([[0.0000],
        [0.2000]])
Infinite x = tensor([[0.4000],
        [0.6000]])
Infinite x = tensor([[0.8000],
        [1.0000]])
Infinite x = tensor([[0.0000],
        [0.2000]])
Infinite x = tensor([[0.4000],
        [0.6000]])
data = {'y1': [tensor([[0.6412],
        [0.6181],
        [0.6717],
        [0.8965],
        [0.1961]]), tensor([[0.5981],
        [0.5795],
        [0.6223],
        [0.7811],
        [0.1948]])], 'y2': [tensor([[0.5725],
        [0.5203],
        [0.3373],
        [0.3100],
        [0.8869]]), tensor([[0.5417],
        [0.4971],
        [0.3310],
        [0.3051],
        [0.7751]])]}

Optimization routines

For training QML models, Qadence also offers a few out-of-the-box routines for optimizing differentiable models, e.g. QNNs and QuantumModel, containing either trainable and/or non-trainable parameters (see the parameters tutorial for detailed information about parameter types):

train_with_grad for gradient-based optimization using PyTorch native optimizers
train_gradient_free for gradient-free optimization using the Nevergrad library.

These routines performs training, logging/printing loss metrics and storing intermediate checkpoints of models. In the following, we use train_with_grad as example but the code can be used directly with the gradient-free routine.

As every other training routine commonly used in Machine Learning, it requires model, data and an optimizer as input arguments. However, in addition, it requires a loss_fn and a TrainConfig. A loss_fn is required to be a function which expects both a model and data and returns a tuple of (loss, metrics: <dict>), where metrics is a dict of scalars which can be customized too.

import torch
from itertools import count
cnt = count()
criterion = torch.nn.MSELoss()

def loss_fn(model: torch.nn.Module, data: torch.Tensor) -> tuple[torch.Tensor, dict]:
    next(cnt)
    x, y = data[0], data[1]
    out = model(x)
    loss = criterion(out, y)
    return loss, {}

The TrainConfig tells train_with_grad what batch_size should be used, how many epochs to train, in which intervals to print/log metrics and how often to store intermediate checkpoints.

from qadence.ml_tools import TrainConfig

batch_size = 5
n_epochs = 100

config = TrainConfig(
    folder="some_path/",
    max_iter=n_epochs,
    checkpoint_every=100,
    write_every=100,
    batch_size=batch_size,
)

Let's see it in action with a simple example.

Fitting a funtion with a QNN using `ml_tools`

Let's look at a complete example of how to use train_with_grad now.

from pathlib import Path
import torch
from itertools import count
import matplotlib.pyplot as plt

from qadence import Parameter, QuantumCircuit, Z
from qadence import hamiltonian_factory, hea, feature_map, chain
from qadence.models import QNN
from qadence.ml_tools import  TrainConfig, train_with_grad, to_dataloader

n_qubits = 2
fm = feature_map(n_qubits)
ansatz = hea(n_qubits=n_qubits, depth=3)
observable = hamiltonian_factory(n_qubits, detuning=Z)
circuit = QuantumCircuit(n_qubits, fm, ansatz)

model = QNN(circuit, observable, backend="pyqtorch", diff_mode="ad")
batch_size = 1
input_values = {"phi": torch.rand(batch_size, requires_grad=True)}
pred = model(input_values)

cnt = count()
criterion = torch.nn.MSELoss()
optimizer = torch.optim.Adam(model.parameters(), lr=0.1)

def loss_fn(model: torch.nn.Module, data: torch.Tensor) -> tuple[torch.Tensor, dict]:
    next(cnt)
    x, y = data[0], data[1]
    out = model(x)
    loss = criterion(out, y)
    return loss, {}

tmp_path = Path("/tmp")

n_epochs = 50

config = TrainConfig(
    folder=tmp_path,
    max_iter=n_epochs,
    checkpoint_every=100,
    write_every=100,
    batch_size=batch_size,
)

batch_size = 25

x = torch.linspace(0, 1, batch_size).reshape(-1, 1)
y = torch.sin(x)
data = to_dataloader(x, y, batch_size=batch_size, infinite=True)

train_with_grad(model, data, optimizer, config, loss_fn=loss_fn)

plt.plot(x, y)
plt.plot(x, model(x).detach())

For users who want to use the low-level API of qadence, here is the example from above written without train_with_grad.

Fitting a function - Low-level API

from pathlib import Path
import torch
from itertools import count
from qadence.constructors import hamiltonian_factory, hea, feature_map
from qadence import chain, Parameter, QuantumCircuit, Z
from qadence.models import QNN
from qadence.ml_tools import train_with_grad, TrainConfig

n_qubits = 2
fm = feature_map(n_qubits)
ansatz = hea(n_qubits=n_qubits, depth=3)
observable = hamiltonian_factory(n_qubits, detuning=Z)
circuit = QuantumCircuit(n_qubits, fm, ansatz)

model = QNN(circuit, observable, backend="pyqtorch", diff_mode="ad")
batch_size = 1
input_values = {"phi": torch.rand(batch_size, requires_grad=True)}
pred = model(input_values)

criterion = torch.nn.MSELoss()
optimizer = torch.optim.Adam(model.parameters(), lr=0.1)
n_epochs=50
cnt = count()

tmp_path = Path("/tmp")

config = TrainConfig(
    folder=tmp_path,
    max_iter=n_epochs,
    checkpoint_every=100,
    write_every=100,
    batch_size=batch_size,
)

x = torch.linspace(0, 1, batch_size).reshape(-1, 1)
y = torch.sin(x)

for i in range(n_epochs):
    out = model(x)
    loss = criterion(out, y)
    loss.backward()
    optimizer.step()

Training tools

Dataloaders

Optimization routines

Fitting a funtion with a QNN using ml_tools

Fitting a function - Low-level API

Fitting a funtion with a QNN using `ml_tools`