For the goal of strong artificial intelligence that can mimic human-level intelligence, AI systems would have the ability to adapt to ever-changing scenarios and learn new knowledge continuously without forgetting previously acquired knowledge. When a machine learning model is consecutively trained on multiple tasks that come in sequence, its performance on previously learned tasks may drop dramatically during the learning process of the newly seen task. To avoid this phenomenon termed catastrophic forgetting, continual learning, also known as lifelong learning, has been proposed and become one of the most up-to-date research areas of machine learning. As quantum machine learning blossoms in recent years, it is interesting to develop quantum continual learning. This paper focuses on the case of quantum models for quantum data where the computation model and the data to be processed are both quantum. The gradient episodic memory method is incorporated to design a quantum continual learning scheme that overcomes catastrophic forgetting and realizes knowledge backward transfer. Specifically, a sequence of quantum state classification tasks is continually learned by a variational quantum classifier whose parameters are optimized by a classical gradient-based optimizer. The gradient of the current task is projected to the closest gradient, avoiding the increase of the loss at previous tasks, but allowing the decrease. Numerical simulation results show that our scheme not only overcomes catastrophic forgetting, but also realize knowledge backward transfer, which means the classifier's performance on previous tasks is enhanced rather than compromised while learning a new task.
While quantum machine learning (ML) has been proposed to be one of the most promising applications of quantum computing, how to build quantum ML models that outperform classical ML remains a major open question. Here, we demonstrate a Bayesian algorithm for constructing quantum kernels for support vector machines that adapts quantum gate sequences to data. The algorithm increases the complexity of quantum circuits incrementally by appending quantum gates selected with Bayesian information criterion as circuit selection metric and Bayesian optimization of the parameters of the locally optimal quantum circuits identified. The goal is to build quantum kernels for SVM that can solve classification problems with as little training data as possible. The performance of the resulting quantum models for the classification problems considered here significantly exceeds that of optimized classical models with conventional kernels.
Quantum computers hold great promise to enhance machine learning, but their current qubit counts restrict the realisation of this promise. In an attempt to placate this limitation techniques can be applied for evaluating a quantum circuit using a machine with fewer qubits than the circuit naively requires. These techniques work by evaluating many smaller circuits on the smaller machine, that are then combined in a polynomial to replicate the output of the larger machine. This scheme requires more circuit evaluations than are practical for general circuits. However, we investigate the possibility that for certain applications many of these subcircuits are superfluous, and that a much smaller sum is sufficient to estimate the full circuit. We construct a machine learning model that may be capable of approximating the outputs of the larger circuit with much fewer circuit evaluations. We successfully apply our model to the task of digit recognition, using simulated quantum computers much smaller than the data dimension. The model is also applied to the task of approximating a random 10 qubit PQC with simulated access to a 5 qubit computer, even with only relatively modest number of circuits our model provides an accurate approximation of the 10 qubit PQCs output, superior to a neural network attempt. The developed method might be useful for implementing quantum models on larger data throughout the NISQ era.
Variational Quantum Circuits are being used as versatile Quantum Machine Learning models. Some empirical results exhibit an advantage in supervised and generative learning tasks. However, when applied to Reinforcement Learning, less is known. In this work, we considered a Variational Quantum Circuit composed of a low-depth hardware-efficient ansatz as the parameterized policy of a Reinforcement Learning agent. We show that an $\epsilon$-approximation of the policy gradient can be obtained using a logarithmic number of samples concerning the total number of parameters. We empirically verify that such quantum models behave similarly or even outperform typical classical neural networks used in standard benchmarking environments and in quantum control, using only a fraction of the parameters. Moreover, we study the Barren Plateau phenomenon in quantum policy gradients using the Fisher Information Matrix spectrum.
Variational quantum circuits have been widely employed in quantum simulation and quantum machine learning in recent years. However, quantum circuits with random structures have poor trainability due to the exponentially vanishing gradient with respect to the circuit depth and the qubit number. This result leads to a general standpoint that deep quantum circuits would not be feasible for practical tasks. In this work, we propose an initialization strategy with theoretical guarantees for the vanishing gradient problem in general deep quantum circuits. Specifically, we prove that under proper Gaussian initialized parameters, the norm of the gradient decays at most polynomially when the qubit number and the circuit depth increase. Our theoretical results hold for both the local and the global observable cases, where the latter was believed to have vanishing gradients even for very shallow circuits. Experimental results verify our theoretical findings in the quantum simulation and quantum chemistry.
Accurate molecular force fields are of paramount importance for the efficient implementation of molecular dynamics techniques at large scales. In the last decade, machine learning methods have demonstrated impressive performances in predicting accurate values for energy and forces when trained on finite size ensembles generated with ab initio techniques. At the same time, quantum computers have recently started to offer new viable computational paradigms to tackle such problems. On the one hand, quantum algorithms may notably be used to extend the reach of electronic structure calculations. On the other hand, quantum machine learning is also emerging as an alternative and promising path to quantum advantage. Here we follow this second route and establish a direct connection between classical and quantum solutions for learning neural network potentials. To this end, we design a quantum neural network architecture and apply it successfully to different molecules of growing complexity. The quantum models exhibit larger effective dimension with respect to classical counterparts and can reach competitive performances, thus pointing towards potential quantum advantages in natural science applications via quantum machine learning.
Unitary transformations formulate the time evolution of quantum states. How to learn a unitary transformation efficiently is a fundamental problem in quantum machine learning. The most natural and leading strategy is to train a quantum machine learning model based on a quantum dataset. Although the presence of more training data results in better models, using too much data reduces the efficiency of training. In this work, we solve the problem on the minimum size of sufficient quantum datasets for learning a unitary transformation exactly, which reveals the power and limitation of quantum data. First, we prove that the minimum size of a dataset with pure states is $2^n$ for learning an $n$-qubit unitary transformation. To fully explore the capability of quantum data, we introduce a practical quantum dataset consisting of $n+1$ elementary tensor product states that are sufficient for exact training. The main idea is to simplify the structure utilizing decoupling, which leads to an exponential improvement in the size of the datasets with pure states. Furthermore, we show that the size of the quantum dataset with mixed states can be reduced to a constant, which yields an optimal quantum dataset for learning a unitary. We showcase the applications of our results in oracle compiling and Hamiltonian simulation. Notably, to accurately simulate a 3-qubit one-dimensional nearest-neighbor Heisenberg model, our circuit only uses $96$ elementary quantum gates, which is significantly less than $4080$ gates in the circuit constructed by the Trotter-Suzuki product formula.
We utilize hybrid quantum deep reinforcement learning to learn navigation tasks for a simple, wheeled robot in simulated environments of increasing complexity. For this, we train parameterized quantum circuits (PQCs) with two different encoding strategies in a hybrid quantum-classical setup as well as a classical neural network baseline with the double deep Q network (DDQN) reinforcement learning algorithm. Quantum deep reinforcement learning (QDRL) has previously been studied in several relatively simple benchmark environments, mainly from the OpenAI gym suite. However, scaling behavior and applicability of QDRL to more demanding tasks closer to real-world problems e. g., from the robotics domain, have not been studied previously. Here, we show that quantum circuits in hybrid quantum-classic reinforcement learning setups are capable of learning optimal policies in multiple robotic navigation scenarios with notably fewer trainable parameters compared to a classical baseline. Across a large number of experimental configurations, we find that the employed quantum circuits outperform the classical neural network baselines when equating for the number of trainable parameters. Yet, the classical neural network consistently showed better results concerning training times and stability, with at least one order of magnitude of trainable parameters more than the best-performing quantum circuits. However, validating the robustness of the learning methods in a large and dynamic environment, we find that the classical baseline produces more stable and better performing policies overall.
Predictor importance is a crucial part of data preprocessing pipelines in classical and quantum machine learning (QML). This work presents the first study of its kind in which feature importance for QML models has been explored and contrasted against their classical machine learning (CML) equivalents. We developed a hybrid quantum-classical architecture where QML models are trained and feature importance values are calculated from classical algorithms on a real-world dataset. This architecture has been implemented on ESPN Fantasy Football data using Qiskit statevector simulators and IBM quantum hardware such as the IBMQ Mumbai and IBMQ Montreal systems. Even though we are in the Noisy Intermediate-Scale Quantum (NISQ) era, the physical quantum computing results are promising. To facilitate current quantum scale, we created a data tiering, model aggregation, and novel validation methods. Notably, the feature importance magnitudes from the quantum models had a much higher variation when contrasted to classical models. We can show that equivalent QML and CML models are complementary through diversity measurements. The diversity between QML and CML demonstrates that both approaches can contribute to a solution in different ways. Within this paper we focus on Quantum Support Vector Classifiers (QSVC), Variational Quantum Circuit (VQC), and their classical counterparts. The ESPN and IBM fantasy football Trade Assistant combines advanced statistical analysis with the natural language processing of Watson Discovery to serve up personalized trade recommendations that are fair. Here, player valuation data of each player has been considered and this work can be extended to calculate the feature importance of other QML models such as Quantum Boltzmann machines.
Differential privacy has been an exceptionally successful concept when it comes to providing provable security guarantees for classical computations. More recently, the concept was generalized to quantum computations. While classical computations are essentially noiseless and differential privacy is often achieved by artificially adding noise, near-term quantum computers are inherently noisy and it was observed that this leads to natural differential privacy as a feature. In this work we discuss quantum differential privacy in an information theoretic framework by casting it as a quantum divergence. A main advantage of this approach is that differential privacy becomes a property solely based on the output states of the computation, without the need to check it for every measurement. This leads to simpler proofs and generalized statements of its properties as well as several new bounds for both, general and specific, noise models. In particular, these include common representations of quantum circuits and quantum machine learning concepts. Here, we focus on the difference in the amount of noise required to achieve certain levels of differential privacy versus the amount that would make any computation useless. Finally, we also generalize the classical concepts of local differential privacy, Renyi differential privacy and the hypothesis testing interpretation to the quantum setting, providing several new properties and insights.
t-Stochastic Neighbor Embedding (t-SNE) is a non-parametric data visualization method in classical machine learning. It maps the data from the high-dimensional space into a low-dimensional space, especially a two-dimensional plane, while maintaining the relationship, or similarities, between the surrounding points. In t-SNE, the initial position of the low-dimensional data is randomly determined, and the visualization is achieved by moving the low-dimensional data to minimize a cost function. Its variant called parametric t-SNE uses neural networks for this mapping. In this paper, we propose to use quantum neural networks for parametric t-SNE to reflect the characteristics of high-dimensional quantum data on low-dimensional data. We use fidelity-based metrics instead of Euclidean distance in calculating high-dimensional data similarity. We visualize both classical (Iris dataset) and quantum (time-depending Hamiltonian dynamics) data for classification tasks. Since this method allows us to represent a quantum dataset in a higher dimensional Hilbert space by a quantum dataset in a lower dimension while keeping their similarity, the proposed method can also be used to compress quantum data for further quantum machine learning.
Quantum machine learning (QML) is promising for potential speedups and improvements in conventional machine learning (ML) tasks (e.g., classification/regression). The search for ideal QML models is an active research field. This includes identification of efficient classical-to-quantum data encoding scheme, construction of parametric quantum circuits (PQC) with optimal expressivity and entanglement capability, and efficient output decoding scheme to minimize the required number of measurements, to name a few. However, most of the empirical/numerical studies lack a clear path towards scalability. Any potential benefit observed in a simulated environment may diminish in practical applications due to the limitations of noisy quantum hardware (e.g., under decoherence, gate-errors, and crosstalk). We present a scalable quantum-classical hybrid deep neural network (DeepQMLP) architecture inspired by classical deep neural network architectures. In DeepQMLP, stacked shallow Quantum Neural Network (QNN) models mimic the hidden layers of a classical feed-forward multi-layer perceptron network. Each QNN layer produces a new and potentially rich representation of the input data for the next layer. This new representation can be tuned by the parameters of the circuit. Shallow QNN models experience less decoherence, gate errors, etc. which make them (and the network) more resilient to quantum noise. We present numerical studies on a variety of classification problems to show the trainability of DeepQMLP. We also show that DeepQMLP performs reasonably well on unseen data and exhibits greater resilience to noise over QNN models that use a deep quantum circuit. DeepQMLP provided up to 25.3% lower loss and 7.92% higher accuracy during inference under noise than QMLP.
ZX-calculus has proved to be a useful tool for quantum technology with a wide range of successful applications. Most of these applications are of an algebraic nature. However, other tasks that involve differentiation and integration remain unreachable with current ZX techniques. Here we elevate ZX to an analytical perspective by realising differentiation and integration entirely within the framework of ZX-calculus. We explicitly illustrate the new analytic framework of ZX-calculus by applying it in context of quantum machine learning for the analysis of barren plateaus.
In recent times, Variational Quantum Circuits (VQC) have been widely adopted to different tasks in machine learning such as Combinatorial Optimization and Supervised Learning. With the growing interest, it is pertinent to study the boundaries of the classical simulation of VQCs to effectively benchmark the algorithms. Classically simulating VQCs can also provide the quantum algorithms with a better initialization reducing the amount of quantum resources needed to train the algorithm. This manuscript proposes an algorithm that compresses the quantum state within a circuit using a tensor ring representation which allows for the implementation of VQC based algorithms on a classical simulator at a fraction of the usual storage and computational complexity. Using the tensor ring approximation of the input quantum state, we propose a method that applies the parametrized unitary operations while retaining the low-rank structure of the tensor ring corresponding to the transformed quantum state, providing an exponential improvement of storage and computational time in the number of qubits and layers. This approximation is used to implement the tensor ring VQC for the task of supervised learning on Iris and MNIST datasets to demonstrate the comparable performance as that of the implementations from classical simulator using Matrix Product States.
Quantum machine learning has emerged as a potential practical application of near-term quantum devices. In this work, we study a two-layer hybrid classical-quantum classifier in which a first layer of quantum stochastic neurons implementing generalized linear models (QGLMs) is followed by a second classical combining layer. The input to the first, hidden, layer is obtained via amplitude encoding in order to leverage the exponential size of the fan-in of the quantum neurons in the number of qubits per neuron. To facilitate implementation of the QGLMs, all weights and activations are binary. While the state of the art on training strategies for this class of models is limited to exhaustive search and single-neuron perceptron-like bit-flip strategies, this letter introduces a stochastic variational optimization approach that enables the joint training of quantum and classical layers via stochastic gradient descent. Experiments show the advantages of the approach for a variety of activation functions implemented by QGLM neurons.
A key component of a quantum machine learning model operating on classical inputs is the design of an embedding circuit mapping inputs to a quantum state. This paper studies a transfer learning setting in which classical-to-quantum embedding is carried out by an arbitrary parametric quantum circuit that is pre-trained based on data from a source task. At run time, a binary quantum classifier of the embedding is optimized based on data from the target task of interest. The average excess risk, i.e., the optimality gap, of the resulting classifier depends on how (dis)similar the source and target tasks are. We introduce a new measure of (dis)similarity between the binary quantum classification tasks via the trace distances. An upper bound on the optimality gap is derived in terms of the proposed task (dis)similarity measure, two R$\'e$nyi mutual information terms between classical input and quantum embedding under source and target tasks, as well as a measure of complexity of the combined space of quantum embeddings and classifiers under the source task. The theoretical results are validated on a simple binary classification example.
Quantum machine learning is a fast-emerging field that aims to tackle machine learning using quantum algorithms and quantum computing. Due to the lack of physical qubits and an effective means to map real-world data from Euclidean space to Hilbert space, most of these methods focus on quantum analogies or process simulations rather than devising concrete architectures based on qubits. In this paper, we propose a novel hybrid quantum-classical algorithm for graph-structured data, which we refer to as the Ego-graph based Quantum Graph Neural Network (egoQGNN). egoQGNN implements the GNN theoretical framework using the tensor product and unity matrix representation, which greatly reduces the number of model parameters required. When controlled by a classical computer, egoQGNN can accommodate arbitrarily sized graphs by processing ego-graphs from the input graph using a modestly-sized quantum device. The architecture is based on a novel mapping from real-world data to Hilbert space. This mapping maintains the distance relations present in the data and reduces information loss. Experimental results show that the proposed method outperforms competitive state-of-the-art models with only 1.68\% parameters compared to those models.
Quantum computing is the process of performing calculations using quantum mechanics. This field studies the quantum behavior of certain subatomic particles for subsequent use in performing calculations, as well as for large-scale information processing. These capabilities can give quantum computers an advantage in terms of computational time and cost over classical computers. Nowadays, there are scientific challenges that are impossible to perform by classical computation due to computational complexity or the time the calculation would take, and quantum computation is one of the possible answers. However, current quantum devices have not yet the necessary qubits and are not fault-tolerant enough to achieve these goals. Nonetheless, there are other fields like machine learning or chemistry where quantum computation could be useful with current quantum devices. This manuscript aims to present a Systematic Literature Review of the papers published between 2017 and 2023 to identify, analyze and classify the different algorithms used in quantum machine learning and their applications. Consequently, this study identified 94 articles that used quantum machine learning techniques and algorithms. The main types of found algorithms are quantum implementations of classical machine learning algorithms, such as support vector machines or the k-nearest neighbor model, and classical deep learning algorithms, like quantum neural networks. Many articles try to solve problems currently answered by classical machine learning but using quantum devices and algorithms. Even though results are promising, quantum machine learning is far from achieving its full potential. An improvement in the quantum hardware is required since the existing quantum computers lack enough quality, speed, and scale to allow quantum computing to achieve its full potential.
The field of artificial neural networks is expected to strongly benefit from recent developments of quantum computers. In particular, quantum machine learning, a class of quantum algorithms which exploit qubits for creating trainable neural networks, will provide more power to solve problems such as pattern recognition, clustering and machine learning in general. The building block of feed-forward neural networks consists of one layer of neurons connected to an output neuron that is activated according to an arbitrary activation function. The corresponding learning algorithm goes under the name of Rosenblatt perceptron. Quantum perceptrons with specific activation functions are known, but a general method to realize arbitrary activation functions on a quantum computer is still lacking. Here we fill this gap with a quantum algorithm which is capable to approximate any analytic activation functions to any given order of its power series. Unlike previous proposals providing irreversible measurement--based and simplified activation functions, here we show how to approximate any analytic function to any required accuracy without the need to measure the states encoding the information. Thanks to the generality of this construction, any feed-forward neural network may acquire the universal approximation properties according to Hornik's theorem. Our results recast the science of artificial neural networks in the architecture of gate-model quantum computers.
Capsule networks, which incorporate the paradigms of connectionism and symbolism, have brought fresh insights into artificial intelligence. The capsule, as the building block of capsule networks, is a group of neurons represented by a vector to encode different features of an entity. The information is extracted hierarchically through capsule layers via routing algorithms. Here, we introduce a quantum capsule network (dubbed QCapsNet) together with an efficient quantum dynamic routing algorithm. To benchmark the performance of the QCapsNet, we carry out extensive numerical simulations on the classification of handwritten digits and symmetry-protected topological phases, and show that the QCapsNet can achieve an enhanced accuracy and outperform conventional quantum classifiers evidently. We further unpack the output capsule state and find that a particular subspace may correspond to a human-understandable feature of the input data, which indicates the potential explainability of such networks. Our work reveals an intriguing prospect of quantum capsule networks in quantum machine learning, which may provide a valuable guide towards explainable quantum artificial intelligence.