patran参数化建模语言_我们需要新的语言来讨论参数化量子电路

patran参数化建模语言

By Hannah Sim, Graduate Student in Chemical Physics at Harvard

哈佛大学化学物理学研究生Hannah Sim

In recent years, there have been significant developments in variational quantum algorithms — algorithms that use both quantum and classical computers to accomplish a particular task. Two early examples of such algorithms are the variational quantum eigensolver (VQE) and the quantum approximate optimization algorithm (QAOA), both of which can be implemented using Qiskit! Since then, scientists have extended the variational algorithm framework for applications in factoring, generative modeling, quantum data compression, quantum circuit compiling, and more.

近年来，变分量子算法取得了重大进展，该算法同时使用量子计算机和经典计算机来完成特定任务。 这种算法的两个早期示例是变分量子本征求解器(VQE)和量子近似优化算法(QAOA)，两者都可以使用Qiskit！实现！ 从那时起，科学家们将变分算法框架扩展到分解，生成模型，量子数据压缩，量子电路编译等领域。

While it’s exciting to see all of the prospects of near-term quantum computing, a big challenge lies in improving these algorithms to reliably run larger problem instances on today’s small and noisy devices. Scientists are constantly coming up with improvements, ranging from error mitigation techniques to better energy estimation schemes and optimization algorithms. In this blog post, we wanted to investigate another key component of variational quantum algorithms: parameterized quantum circuits, and how to pick the right one for your algorithm. We don’t have the answer for that yet, but we’ve proposed two new concepts, called expressibility and entangling capability, that will help us make that decision.

看到近期量子计算的所有前景令人兴奋，但最大的挑战在于改进这些算法，以在当今的小型且嘈杂的设备上可靠地运行较大的问题实例。 科学家们不断地提出改进措施，从减轻错误的技术到更好的能量估计方案和优化算法。 在这篇博客文章中，我们想研究变分量子算法的另一个关键组成部分： 参数化量子电路，以及如何为您的算法选择正确的量子电路 。 我们还没有答案，但是我们提出了两个新概念，称为可表达性和纠缠能力，它们将帮助我们做出决定。

什么是参数化量子电路？ (What are parameterized quantum circuits?)

In many variational algorithms, there is a common “recipe” or framework:

在许多变式算法中，有一个共同的“配方”或框架：

In this recipe, one crucial ingredient is the parameterized quantum circuit (PQC). The parameterized quantum circuit can be thought of as the interface between quantum and classical computers: the quantum computer executes the PQC to estimate some quantity, e.g. energy of a prepared state in VQE, and the classical computer tunes the parameters that came out of the quantum circuit to improve the parameterized state. These new parameters go back into the quantum component, and the cycle continues.

在此配方中，一个关键因素是参数化量子电路(PQC)。 可以将参数化的量子电路视为量子计算机与经典计算机之间的接口：量子计算机执行PQC来估计一些量，例如VQE中已准备状态的能量，而经典计算机则对来自量子的参数进行调整电路以改善参数化状态。 这些新参数返回到量子分量，并且循环继续进行。

In applications such as quantum chemistry, researchers have proposed and developed effective PQCs such as the unitary coupled-cluster (UCC). The UCC circuit is based on a method called coupled-cluster which is considered the “gold standard” in computational chemistry, and can produce states that can well-approximate the ground states of various types of molecules. However, the UCC circuits, in practice, are too deep — they cannot easily be implemented on today’s quantum computers. To circumvent this problem, researchers at IBM produced the so-called “hardware-efficient” ansatz, a shallow parameterized quantum circuit that is composed of gates that are natural operations on the quantum hardware. Similar circuit designs have also been applied to applications in quantum machine learning.

在诸如量子化学的应用中，研究人员已经提出并开发了有效的PQC，例如单一耦合簇(UCC) 。 UCC电路基于一种称为耦合簇的方法，该方法在计算化学中被视为“黄金标准”，并且可以产生能够很好地近似各种分子的基态的状态。 但是，实际上，UCC电路太深了，无法在当今的量子计算机上轻松实现。 为了解决这个问题，IBM的研究人员生产了所谓的“ 硬件效率高”的ansatz，这是一种浅参数化的量子电路，由量子硬件上自然操作的门组成。 类似的电路设计也已应用于量子机器学习中的应用。

While various works have proposed different PQC designs, from a variational algorithm user’s perspective, how does one choose which circuit to use for their algorithm? That is, if you’re given a “toolbox” of five different parameterized quantum circuits, which circuit do you apply to your variational algorithm and why?

尽管各种工作提出了不同的PQC设计，但从变异算法用户的角度来看，如何选择用于其算法的电路？ 也就是说，如果为您提供了五个不同参数化量子电路的“工具箱”，那么您将哪个电路应用于变分算法，为什么？

This is a difficult question to answer, but our work [1] tries to approach this question by first trying to come up with properties (or descriptors) of PQCs that we can use to distinguish among circuit designs and identify circuits that have limited capabilities. Two such descriptors are expressibility and entangling capability.

这是一个很难回答的问题，但是我们的工作[1]试图通过首先尝试提出PQC的属性(或描述符)来解决这个问题，我们可以使用这些属性来区分电路设计和识别能力有限的电路。 两个这样的描述符是可表达性和纠缠能力。

可表达性 (Expressibility)

Expressibility is a measure of a parameterized quantum circuit’s ability to generate states from the Hilbert space. In practice, to quantify expressibility, we compute the extent to which the set of states we generate from a circuit deviates from the (expressive) uniform distribution in the state space. Why the uniform distribution? This is because (1) we know that by sampling the uniform distribution in the state space, we can, in theory, express any state in the Hilbert space. Therefore, it is a suitable reference case to compare our set of states sampled from a PQC. And (2) this uniform distribution has mathematical properties that make computation of the deviation easier.

可表达性是对参数化量子电路从希尔伯特空间产生状态的能力的度量。 在实践中，为了量化可表达性，我们计算从电路生成的状态集偏离状态空间中(表达性)均匀分布的程度。 为什么要均匀分配？ 这是因为(1)我们知道，通过对状态空间中的均匀分布进行采样，理论上我们可以表示希尔伯特空间中的任何状态。 因此，比较从PQC采样的状态集是一个合适的参考案例。 并且(2)这种均匀分布具有使偏差的计算更容易的数学特性。

For instance, consider the following single-qubit circuits:

例如，考虑以下单量子位电路：

1. Circuit A consists of an identity gate. This means that the output state is always the |0> state. This circuit is not expressive in terms of the states the circuit can explore.
   电路A由一个身份门组成。 这意味着输出状态始终为| 0​​>状态。 就电路可以探索的状态而言，该电路没有表现力。
2. Circuit B has a parameterized RZ gate following a Hadamard gate. By tuning the RZ parameter value, you are exploring the equator of the Bloch sphere.
   电路B在Hadamard门之后具有参数化的RZ门。 通过调整RZ参数值，您正在探索Bloch球的赤道。
3. Circuit C is similar to circuit B but has an additional parameterized RX gate. This provides an additional degree-of-freedom to move about the Bloch sphere.
   电路C与电路B类似，但具有附加的参数化RX门。 这为绕Bloch球提供了额外的自由度。
4. Lastly, as reference, we have circuit D, a uniformly sampled unitary U that uniformly maps the |0> state to any point on the Bloch sphere. That is, this circuit is able to express any state on the Bloch sphere with equal probability.
   最后，作为参考，我们有电路D，一个统一采样的unit U，它均匀地将| 0>状态映射到Bloch球面上的任何点。 即，该电路能够以相等的概率表达布洛赫球上的任何状态。

If we were to sample 1000 different output states for each circuit (for parameterized quantum circuits, we uniformly sample the parameter vectors and simulate the corresponding output state), we’d observe something like this:

如果我们要为每个电路采样1000个不同的输出状态(对于参数化量子电路，我们将对参数向量进行统一采样并模拟相应的输出状态)，我们将观察到以下内容：

For circuit A, all 1000 points are located on the “North Pole” of the Bloch sphere (i.e. where |0> is located). For circuit B, we observe output states distributed about the equator of the Bloch sphere. For circuit C, we see that we can cover all of the Bloch sphere with the output states but the coverage is not uniform; there are concentrations of points on the +X and -X poles of the Bloch sphere. Lastly, as expected, we see a uniform coverage of points on the Bloch sphere for circuit D.

对于电路A，所有1000个点都位于Bloch球的“北极”上(即| 0>所在的位置)。 对于电路B，我们观察到围绕Bloch球的赤道分布的输出状态。 对于电路C，我们看到可以用输出状态覆盖所有Bloch球面，但是覆盖范围不均匀； Bloch球的+ X和-X极点集中。 最后，正如预期的那样，我们看到电路D的Bloch球面上的点均匀覆盖。

Expressibility is a way to quantify what we just observed for these single-qubit circuits, where one can identify circuits with limited expressive powers, such as circuit A. In the example above, circuit A would have a low expressibility score due to the limited set of states it can explore, whereas circuit C and circuit D would have high expressibility scores. While future investigations are needed to determine if expressibility is a “good” property for parameterized quantum circuits, it is one way we can distinguish among circuit designs and identify circuits with limited expressive powers.

可表达性是一种量化我们刚刚观察到的这些单量子位电路的方法，其中可以识别具有有限表达能力的电路，例如电路A。在上面的示例中，由于集合有限，电路A的可表达性得分较低可以探索的状态，而电路C和D则具有较高的可表达性分数。 尽管未来的调查需要确定可表达性对于参数化量子电路是否是“良好”的性质，但这是我们可以区分电路设计并识别表达能力有限的电路的一种方法。

纠缠能力 (Entangling capability)

Entanglement is often seen as a key resource in quantum computing. We wanted to come up with a way to quantify how much entanglement a parameterized quantum circuit can generate. To do so, we used the Meyer-Wallach measure [2], a scalable entanglement measure for multi-particle (multi-qubit) systems. Computing the Meyer-Wallach measure is one way you can quantify how entangled a given state is: the Meyer-Wallach measure of a product (i.e. unentangled) state is 0 while the Meyer-Wallach measure of a highly entangled state, such as the Bell state, is 1.

纠缠通常被视为量子计算中的关键资源。 我们想提出一种量化参数化量子电路可以产生多少纠缠的方法。 为此，我们使用了Meyer-Wallach度量[2]，它是用于多粒子(多量子位)系统的可伸缩纠缠度量。 计算Meyer-Wallach度量是一种量化给定状态的纠缠程度的方法之一：产品(即非纠缠)状态的Meyer-Wallach度量为0，而高度纠缠态的Meyer-Wallach度量(例如贝尔)状态为1。

We ran the following analysis:

我们进行了以下分析：

1. Generate k sample parameter vectors for a parameterized quantum circuit C.
   为参数化的量子电路C生成k个样本参数向量。
2. Simulate k corresponding parameterized quantum states.
   模拟k个相应的参数化量子态。
3. Compute the Meyer-Wallach measure for each parameterized quantum state.
   计算每个参数化量子态的Meyer-Wallach测度。
4. Compute the average Meyer-Wallach measure value.
   计算平均Meyer-Wallach测量值。

With the average Meyer-Wallach measure value for each PQC, we could determine which circuits generate more highly entangled states. For a simple example, consider the two parameterized quantum circuits:

利用每个PQC的平均Meyer-Wallach度量值，我们可以确定哪些电路生成更高的纠缠态。 举一个简单的例子，考虑两个参数化的量子电路：

The circuit on the left has no entangling operations (e.g. two-qubit gates), so it has no entangling capability. Thus, this circuit would produce states that have Meyer-Wallach measures of 0, leading to an averaged value of 0. On the other hand, the circuit on the right has several two-qubit gates and thus is able to generate quantum states with some entanglement. Therefore, the average Meyer-Wallach measure would be greater than 0. Such insight may be useful for cases like VQE problems, in which we are often trying to prepare ground states that may be highly entangled. In this scenario, testing the algorithm with a circuit that can readily produce highly entangled states may be advantageous.

左侧的电路没有纠缠操作(例如，两个量子比特的门)，因此它没有纠缠能力。 因此，该电路将产生Meyer-Wallach度量为0的状态，导致平均值为0。另一方面，右侧的电路具有多个两个量子比特的门，因此能够生成具有一些量子态的量子态。纠缠。 因此，平均Meyer-Wallach测度将大于0。这种洞察可能对VQE问题等情况有用，在这种情况下，我们经常尝试准备可能高度纠缠的基态。 在这种情况下，用易于产生高度纠缠态的电路测试算法可能是有利的。

Using the two descriptors, expressibility and entangling capability, one can identify circuits that have limited capabilities. We expect that such circuits are likely poor candidates for variational algorithm instances. We additionally computed other descriptors such as the numbers of two-qubit gates and parameters a circuit has in order to determine which circuits are “cheaper” to implement on quantum devices and optimize. With all of this information, we can have a better understanding of which circuits are expressive and able to generate entangled states but are also relatively cheap to implement. We can then select circuits with these properties to test first on variational algorithms. This is the circuit design and selection process we used in our latest work on “quantum computer-aided design” (QCAD) [3], where we designed a PQC based on an existing circuit with favorable descriptor values (i.e. relatively high expressibility and entangling capability with moderate parameter count).

使用可表达性和纠缠能力这两个描述符，可以识别出能力有限的电路。 我们期望这样的电路对于变分算法实例而言可能是较差的候选者。 我们还计算了其他描述符，例如两个量子比特门的数量和电路具有的参数，以确定哪些电路“便宜”以便在量子器件上实现和优化。 利用所有这些信息，我们可以更好地了解哪些电路具有表现力并能够生成纠缠态，但实现起来相对便宜。 然后，我们可以选择具有这些属性的电路，以首先对变分算法进行测试。 这是我们在“量子计算机辅助设计”(QCAD)[3]的最新工作中使用的电路设计和选择过程，其中，我们基于具有良好描述符值(即相对较高的可表达性和纠缠度)的现有电路设计了一个PQC。具有中等参数数量的功能)。

未来的工作 (Future work)

While our work proposed several descriptors, this is only the first step. In order to more confidently use these descriptors to guide our circuit selection process, we need to verify whether expressibility and/or entangling capability are in fact figures-of-merit. One way to approach this would be to run benchmark studies relating the descriptors to algorithm performance. Fortunately, several works have started research in this direction, investigating the relationship between the descriptors with performances of VQE [4] and the variational quantum classifier [5].

尽管我们的工作提出了几个描述符，但这只是第一步。 为了更自信地使用这些描述符来指导我们的电路选择过程，我们需要验证可表达性和/或纠缠能力实际上是否是品质因数。 解决此问题的一种方法是进行基准测试，将描述符与算法性能相关联。 幸运的是，已经有一些工作朝这个方向开始研究，以研究具有VQE [4]和变分量子分类器[5]性能的描述符之间的关系。

1. Sim, Sukin, Peter D. Johnson, and Alán Aspuru‐Guzik. 2019. “Expressibility and Entangling Capability of Parameterized Quantum Circuits for Hybrid Quantum‐Classical Algorithms.” Advanced Quantum Technologies, October, 1900070. https://doi.org/10.1002/qute.201900070.

   Sim，Sukin，Peter D.Johnson和AlánAspuru‐Guzik。 2019年。“用于混合量子经典算法的参数化量子电路的可表达性和纠缠能力。” 先进量子技术 ，1900070年10月.https ： //doi.org/10.1002/qute.201900070 。

2. Meyer, David A., and Nolan R. Wallach. 2002. “Global Entanglement in Multiparticle Systems.” Journal of Mathematical Physics 43 (9): 4273–78. https://doi.org/10.1063/1.1497700.

   Meyer，David A.和Nolan R. Wallach。 2002年。“多粒子系统中的全球纠缠”。 数学物理学杂志 43(9)：4273–78。 https://doi.org/10.1063/1.1497700。

3. Kyaw, Thi Ha, Tim Menke, Sukin Sim, Nicolas P. D. Sawaya, William D. Oliver, Gian Giacomo Guerreschi, and Alán Aspuru-Guzik. 2020. “Quantum Computer-Aided Design: Digital Quantum Simulation of Quantum Processors,” June. http://arxiv.org/abs/2006.03070.

   Kyaw，Thi Ha，Tim Menke，Sukin Sim，Nicolas PD Sawaya，William D.Oliver，Gian Giacomo Guerreschi和AlánAspuru-Guzik。 2020年。“量子计算机辅助设计：量子处理器的数字量子仿真”，六月。 http://arxiv.org/abs/2006.03070。

4. Nakaji, Kouhei, and Naoki Yamamoto. 2020. “Expressibility of the Alternating Layered Ansatz for Quantum Computation.” http://arxiv.org/abs/2005.12537.

   Nakaji，Kouhei和Yamaki Naoki。 2020年。“用于量子计算的交替分层Ansatz的可表达性。” http://arxiv.org/abs/2005.12537。

5. Hubregtsen, Thomas, Josef Pichlmeier, and Koen Bertels. 2020. “Evaluation of Parameterized Quantum Circuits: On the Design, and the Relation between Classification Accuracy, Expressibility and Entangling Capability.” http://arxiv.org/abs/2003.09887.

   Hubregtsen，Thomas，Josef Pichlmeier和Koen Bertels。 2020年。“参数化量子电路的评估：在设计上以及分类精度，可表达性和纠缠能力之间的关系。” http://arxiv.org/abs/2003.09887。

翻译自: https://medium.com/qiskit/we-need-new-language-to-discuss-parameterized-quantum-circuits-60672f189b5f

patran参数化建模语言