ashhchika / fmbqm

The repository is moved to https://github.com/tsudalab/fmqa

CAUTION!!!

The fmbqm library is renamed to fmqa and has been moved to https://github.com/tsudalab/fmqa . This repository will be no longer updated.

fmbqm

The fmbqm package provides a trainable binary quadratic model FMBQM. In combination with annealing solvers, it enables optimization of a black-box function in a data-driven way. This could expand the application of annealing solvers.

A common way of solving a combinatorial optimization problem is to encode the objective function into a binary quadratic model (BQM), where the user has to set parameters of the BQM beforehand. However, our fmbqm.FMBQM class can automatically learn the parameters based on a dataset provided by users. This is an ideal approach when the user can evaluate the objective function on any given input, but has no knowledge about the analytical form of it.

The FMBQM class inherits from dimod.BQM of D-Wave Ocean Tools, so the basic usage of FMBQM has many in common with that of BQM. For the functions specific to FMBQM, such as how to train the model, please refer to the example code below.

Install

On the root of the project, run

$ python setup.py install

Example

For an example use of the package, we try to minimize this function:

def two_complement(x, scaling=True):
    '''
    Evaluation function for binary array
    of two's complement representation.

    example (when scaling=False):
    [0,0,0,1] => 1
    [0,0,1,0] => 2
    [0,1,0,0] => 4
    [1,0,0,0] => -8
    [1,1,1,1] => -1
    '''
    val, n = 0, len(x)
    for i in range(n):
        val += (1<<(n-i-1)) * x[i] * (1 if (i>0) else -1)
    return val * (2**(1-n) if scaling else 1)

This is an evaluator of two's complement representation, while its output is scaled to [-1,1].

We fix the input length to 16, and generate initial dataset of size 5 for training.

import numpy as np

xs = np.random.randint(2, size=(5,16))
ys = np.array([two_complement(x) for x in xs])

Based on the dataset, train a FMBQM model.

import fmbqm
model = fmbqm.FMBQM.from_data(xs, ys)

We use simulated annealing from dimod package here to solve the trained model.

import dimod
sa_sampler = dimod.samplers.SimulatedAnnealingSampler()

We repeat taking 3 samples at once and updating the model for 15 times (45 samples taken in total).

for _ in range(15):
    res = sa_sampler.sample(model, num_reads=3)
    xs = np.r_[xs, res.record['sample']]
    ys = np.r_[ys, [two_complement(x) for x in res.record['sample']]]
    model.train(xs, ys)

Then, the history of the sampling looks like this.

import matplotlib.pyplot as plt
plt.plot(ys, 'o')
plt.xlabel('Selection ID')
plt.ylabel('value (scaled)')
plt.ylim([-1.0,1.0])

We can see that the sampling go down to near optimal as the dataset grows.

License

The fmbqm package is licensed under the MIT "Expat" License.

Citation

If you use this package in your work, please cite:

@article{kitai2019expanding,
  title={Expanding the horizon of automated metamaterials discovery via quantum annealing},
  author={Koki Kitai and Jiang Guo and Shenghong Ju and Shu Tanaka and Koji Tsuda and Junichiro Shiomi and Ryo Tamura},
  journal={arXiv preprint arXiv:1902.06573},
  year={2019}
}