Variational quantum algorithms represent a promising approach to quantum machine learning where classical neural networks are replaced by parametrized quantum circuits. However, both approaches suffer from a clear limitation, that is a lack of interpretability. Here, we present a variational method to quantize projective simulation (PS), a reinforcement learning model aimed at interpretable artificial intelligence. Decision making in PS is modeled as a random walk on a graph describing the agent's memory. To implement the quantized model, we consider quantum walks of single photons in a lattice of tunable Mach-Zehnder interferometers trained via variational algorithms. Using an example from transfer learning, we show that the quantized PS model can exploit quantum interference to acquire capabilities beyond those of its classical counterpart. Finally, we discuss the role of quantum interference for training and tracing the decision making process, paving the way for realizations of interpretable quantum learning agents.
A significant challenge in the field of quantum machine learning (QML) is to establish applications of quantum computation to accelerate common tasks in machine learning such as those for neural networks. Ridgelet transform has been a fundamental mathematical tool in the theoretical studies of neural networks, but the practical applicability of ridgelet transform to conducting learning tasks was limited since its numerical implementation by conventional classical computation requires an exponential runtime $\exp(O(D))$ as data dimension $D$ increases. To address this problem, we develop a quantum ridgelet transform (QRT), which implements the ridgelet transform of a quantum state within a linear runtime $O(D)$ of quantum computation. As an application, we also show that one can use QRT as a fundamental subroutine for QML to efficiently find a sparse trainable subnetwork of large shallow wide neural networks without conducting large-scale optimization of the original network. This application discovers an efficient way in this regime to demonstrate the lottery ticket hypothesis on finding such a sparse trainable neural network. These results open an avenue of QML for accelerating learning tasks with commonly used classical neural networks.
The ongoing quest to discover new phenomena at the LHC necessitates the continuous development of algorithms and technologies. Established approaches like machine learning, along with emerging technologies such as quantum computing show promise in the enhancement of experimental capabilities. In this work, we propose a strategy for anomaly detection tasks at the LHC based on unsupervised quantum machine learning, and demonstrate its effectiveness in identifying new phenomena. The designed quantum models, an unsupervised kernel machine and two clustering algorithms, are trained to detect new-physics events using a latent representation of LHC data, generated by an autoencoder designed to accommodate current quantum hardware limitations on problem size. For kernel-based anomaly detection, we implement an instance of the model on a quantum computer, and we identify a regime where it significantly outperforms its classical counterparts. We show that the observed performance enhancement is related to the quantum resources utilised by the model.
Methods of artificial intelligence (AI) and especially machine learning (ML) have been growing ever more complex, and at the same time have more and more impact on people's lives. This leads to explainable AI (XAI) manifesting itself as an important research field that helps humans to better comprehend ML systems. In parallel, quantum machine learning (QML) is emerging with the ongoing improvement of quantum computing hardware combined with its increasing availability via cloud services. QML enables quantum-enhanced ML in which quantum mechanics is exploited to facilitate ML tasks, typically in the form of quantum-classical hybrid algorithms that combine quantum and classical resources. Quantum gates constitute the building blocks of gate-based quantum hardware and form circuits that can be used for quantum computations. For QML applications, quantum circuits are typically parameterized and their parameters are optimized classically such that a suitably defined objective function is minimized. Inspired by XAI, we raise the question of the explainability of such circuits by quantifying the importance of (groups of) gates for specific goals. To this end, we apply the well-established concept of Shapley values. The resulting attributions can be interpreted as explanations for why a specific circuit works well for a given task, improving the understanding of how to construct parameterized (or variational) quantum circuits, and fostering their human interpretability in general. An experimental evaluation on simulators and two superconducting quantum hardware devices demonstrates the benefits of the proposed framework for classification, generative modeling, transpilation, and optimization. Furthermore, our results shed some light on the role of specific gates in popular QML approaches.
Recurrent neural networks play an important role in both research and industry. With the advent of quantum machine learning, the quantisation of recurrent neural networks has become recently relevant. We propose fully quantum recurrent neural networks, based on dissipative quantum neural networks, capable of learning general causal quantum automata. A quantum training algorithm is proposed and classical simulations for the case of product outputs with the fidelity as cost function are carried out. We thereby demonstrate the potential of these algorithms to learn complex quantum processes with memory in terms of the exemplary delay channel, the time evolution of quantum states governed by a time-dependent Hamiltonian, and high- and low-frequency noise mitigation. Numerical simulations indicate that our quantum recurrent neural networks exhibit a striking ability to generalise from small training sets.
Deep Learning (DL) is one of many successful methodologies to extract informative patterns and insights from ever increasing noisy large-scale datasets (in our case, satellite images). However, DL models consist of a few thousand to millions of training parameters, and these training parameters require tremendous amount of electrical power for extracting informative patterns from noisy large-scale datasets (e.g., computationally expensive). Hence, we employ a quantum-inspired tensor network for compressing trainable parameters of physics-informed neural networks (PINNs) in Earth science. PINNs are DL models penalized by enforcing the law of physics; in particular, the law of physics is embedded in DL models. In addition, we apply tensor decomposition to HyperSpectral Images (HSIs) to improve their spectral resolution. A quantum-inspired tensor network is also the native formulation to efficiently represent and train quantum machine learning models on big datasets on GPU tensor cores. Furthermore, the key contribution of this paper is twofold: (I) we reduced a number of trainable parameters of PINNs by using a quantum-inspired tensor network, and (II) we improved the spectral resolution of remotely-sensed images by employing tensor decomposition. As a benchmark PDE, we solved Burger's equation. As practical satellite data, we employed HSIs of Indian Pine, USA and of Pavia University, Italy.
Although we are currently in the era of noisy intermediate scale quantum devices, several studies are being conducted with the aim of bringing machine learning to the quantum domain. Currently, quantum variational circuits are one of the main strategies used to build such models. However, despite its widespread use, we still do not know what are the minimum resources needed to create a quantum machine learning model. In this article, we analyze how the expressiveness of the parametrization affects the cost function. We analytically show that the more expressive the parametrization is, the more the cost function will tend to concentrate around a value that depends both on the chosen observable and on the number of qubits used. For this, we initially obtain a relationship between the expressiveness of the parametrization and the mean value of the cost function. Afterwards, we relate the expressivity of the parametrization with the variance of the cost function. Finally, we show some numerical simulation results that confirm our theoretical-analytical predictions. To the best of our knowledge, this is the first time that these two important aspects of quantum neural networks are explicitly connected.
One of the main challenges in drug discovery is to find molecules that bind specifically and strongly to their target protein while having minimal binding to other proteins. By predicting binding affinity, it is possible to identify the most promising candidates from a large pool of potential compounds, reducing the number of compounds that need to be tested experimentally. Recently, deep learning methods have shown superior performance than traditional computational methods for making accurate predictions on large datasets. However, the complexity and time-consuming nature of these methods have limited their usage and development. Quantum machine learning is an emerging technology that has the potential to improve many classical machine learning algorithms. In this work we present a hybrid quantum-classical convolutional neural network, which is able to reduce by 20% the complexity of the classical network while maintaining optimal performance in the predictions. Additionally, it results in a significant time savings of up to 40% in the training process, which means a meaningful speed up of the drug discovery process.
The development of quantum machine learning (QML) has received a lot of interest recently thanks to developments in both quantum computing (QC) and machine learning (ML). One of the ML paradigms that can be utilized to address challenging sequential decision-making issues is reinforcement learning (RL). It has been demonstrated that classical RL can successfully complete many difficult tasks. A leading method of building quantum RL agents relies on the variational quantum circuits (VQC). However, training QRL algorithms with VQCs requires significant amount of computational resources. This issue hurdles the exploration of various QRL applications. In this paper, we approach this challenge through asynchronous training QRL agents. Specifically, we choose the asynchronous training of advantage actor-critic variational quantum policies. We demonstrate the results via numerical simulations that within the tasks considered, the asynchronous training of QRL agents can reach performance comparable to or superior than classical agents with similar model sizes and architectures.
With the rapid development of classical and quantum machine learning, a large number of machine learning frameworks have been proposed. However, existing machine learning frameworks usually only focus on classical or quantum, rather than both. Therefore, based on VQNet 1.0, we further propose VQNet 2.0, a new generation of unified classical and quantum machine learning framework that supports hybrid optimization. The core library of the framework is implemented in C++, and the user level is implemented in Python, and it supports deployment on quantum and classical hardware. In this article, we analyze the development trend of the new generation machine learning framework and introduce the design principles of VQNet 2.0 in detail: unity, practicality, efficiency, and compatibility, as well as full particulars of implementation. We illustrate the functions of VQNet 2.0 through several basic applications, including classical convolutional neural networks, quantum autoencoders, hybrid classical-quantum networks, etc. After that, through extensive experiments, we demonstrate that the operation speed of VQNet 2.0 is higher than the comparison method. Finally, through extensive experiments, we demonstrate that VQNet 2.0 can deploy on different hardware platforms, the overall calculation speed is faster than the comparison method. It also can be mixed and optimized with quantum circuits composed of multiple quantum computing libraries.
Applying new computing paradigms like quantum computing to the field of machine learning has recently gained attention. However, as high-dimensional real-world applications are not yet feasible to be solved using purely quantum hardware, hybrid methods using both classical and quantum machine learning paradigms have been proposed. For instance, transfer learning methods have been shown to be successfully applicable to hybrid image classification tasks. Nevertheless, beneficial circuit architectures still need to be explored. Therefore, tracing the impact of the chosen circuit architecture and parameterization is crucial for the development of beneficially applicable hybrid methods. However, current methods include processes where both parts are trained concurrently, therefore not allowing for a strict separability of classical and quantum impact. Thus, those architectures might produce models that yield a superior prediction accuracy whilst employing the least possible quantum impact. To tackle this issue, we propose Sequential Quantum Enhanced Training (SEQUENT) an improved architecture and training process for the traceable application of quantum computing methods to hybrid machine learning. Furthermore, we provide formal evidence for the disadvantage of current methods and preliminary experimental results as a proof-of-concept for the applicability of SEQUENT.
Quantum Machine Learning (QML) shows how it maintains certain significant advantages over machine learning methods. It now shows that hybrid quantum methods have great scope for deployment and optimisation, and hold promise for future industries. As a weakness, quantum computing does not have enough qubits to justify its potential. This topic of study gives us encouraging results in the improvement of quantum coding, being the data preprocessing an important point in this research we employ two dimensionality reduction techniques LDA and PCA applying them in a hybrid way Quantum Support Vector Classifier (QSVC) and Variational Quantum Classifier (VQC) in the classification of Diabetes.
In recent years, quantum machine learning has seen a substantial increase in the use of variational quantum circuits (VQCs). VQCs are inspired by artificial neural networks, which achieve extraordinary performance in a wide range of AI tasks as massively parameterized function approximators. VQCs have already demonstrated promising results, for example, in generalization and the requirement for fewer parameters to train, by utilizing the more robust algorithmic toolbox available in quantum computing. A VQCs' trainable parameters or weights are usually used as angles in rotational gates and current gradient-based training methods do not account for that. We introduce weight re-mapping for VQCs, to unambiguously map the weights to an interval of length $2\pi$, drawing inspiration from traditional ML, where data rescaling, or normalization techniques have demonstrated tremendous benefits in many circumstances. We employ a set of five functions and evaluate them on the Iris and Wine datasets using variational classifiers as an example. Our experiments show that weight re-mapping can improve convergence in all tested settings. Additionally, we were able to demonstrate that weight re-mapping increased test accuracy for the Wine dataset by $10\%$ over using unmodified weights.
In the era of noisy intermediate-scale quantum devices, variational quantum algorithms (VQAs) stand as a prominent strategy for constructing quantum machine learning models. These models comprise both a quantum and a classical component. The quantum facet is characterized by a parametrization $U$, typically derived from the composition of various quantum gates. On the other hand, the classical component involves an optimizer that adjusts the parameters of $U$ to minimize a cost function $C$. Despite the extensive applications of VQAs, several critical questions persist, such as determining the optimal gate sequence, devising efficient parameter optimization strategies, selecting appropriate cost functions, and understanding the influence of quantum chip architectures on the final results. This article aims to address the last question, emphasizing that, in general, the cost function tends to converge towards an average value as the utilized parameterization approaches a $2$-design. Consequently, when the parameterization closely aligns with a $2$-design, the quantum neural network model's outcome becomes less dependent on the specific parametrization. This insight leads to the possibility of leveraging the inherent architecture of quantum chips to define the parametrization for VQAs. By doing so, the need for additional swap gates is mitigated, consequently reducing the depth of VQAs and minimizing associated errors.
Building a quantum analog of classical deep neural networks represents a fundamental challenge in quantum computing. A key issue is how to address the inherent non-linearity of classical deep learning, a problem in the quantum domain due to the fact that the composition of an arbitrary number of quantum gates, consisting of a series of sequential unitary transformations, is intrinsically linear. This problem has been variously approached in the literature, principally via the introduction of measurements between layers of unitary transformations. In this paper, we introduce the Quantum Path Kernel, a formulation of quantum machine learning capable of replicating those aspects of deep machine learning typically associated with superior generalization performance in the classical domain, specifically, hierarchical feature learning. Our approach generalizes the notion of Quantum Neural Tangent Kernel, which has been used to study the dynamics of classical and quantum machine learning models. The Quantum Path Kernel exploits the parameter trajectory, i.e. the curve delineated by model parameters as they evolve during training, enabling the representation of differential layer-wise convergence behaviors, or the formation of hierarchical parametric dependencies, in terms of their manifestation in the gradient space of the predictor function. We evaluate our approach with respect to variants of the classification of Gaussian XOR mixtures - an artificial but emblematic problem that intrinsically requires multilevel learning in order to achieve optimal class separation.
The quantum machine learning (QML) paradigms and their synergies with network slicing can be envisioned to be a disruptive technology on the cusp of entering to era of sixth-generation (6G), where the mobile communication systems are underpinned in the form of advanced tenancy-based digital use-cases to meet different service requirements. To overcome the challenges of massive slices such as handling the increased dynamism, heterogeneity, amount of data, extended training time, and variety of security levels for slice instances, the power of quantum computing pursuing a distributed computation and learning can be deemed as a promising prerequisite. In this intent, we propose a cloud-native federated learning framework based on quantum deep reinforcement learning (QDRL) where distributed decision agents deployed as micro-services at the edge and cloud through Kubernetes infrastructure then are connected dynamically to the radio access network (RAN). Specifically, the decision agents leverage the remold of classical deep reinforcement learning (DRL) algorithm into variational quantum circuits (VQCs) to obtain the optimal cooperative control on slice resources. The initial numerical results show that the proposed federated QDRL (FQDRL) scheme provides comparable performance than benchmark solutions and reveals the quantum advantage in parameter reduction. To the best of our knowledge, this is the first exploratory study considering an FQDRL approach for 6G communication network.
Quantum machine learning (QML) has received increasing attention due to its potential to outperform classical machine learning methods in problems pertaining classification and identification tasks. A subclass of QML methods is quantum generative adversarial networks (QGANs) which have been studied as a quantum counterpart of classical GANs widely used in image manipulation and generation tasks. The existing work on QGANs is still limited to small-scale proof-of-concept examples based on images with significant downscaling. Here we integrate classical and quantum techniques to propose a new hybrid quantum-classical GAN framework. We demonstrate its superior learning capabilities by generating $28 \times 28$ pixels grey-scale images without dimensionality reduction or classical pre/post-processing on multiple classes of the standard MNIST and Fashion MNIST datasets, which achieves comparable results to classical frameworks with three orders of magnitude less trainable generator parameters. To gain further insight into the working of our hybrid approach, we systematically explore the impact of its parameter space by varying the number of qubits, the size of image patches, the number of layers in the generator, the shape of the patches and the choice of prior distribution. Our results show that increasing the quantum generator size generally improves the learning capability of the network. The developed framework provides a foundation for future design of QGANs with optimal parameter set tailored for complex image generation tasks.
Harmonic functions are abundant in nature, appearing in limiting cases of Maxwell's, Navier-Stokes equations, the heat and the wave equation. Consequently, there are many applications of harmonic functions from industrial process optimisation to robotic path planning and the calculation of first exit times of random walks. Despite their ubiquity and relevance, there have been few attempts to incorporate inductive biases towards harmonic functions in machine learning contexts. In this work, we demonstrate effective means of representing harmonic functions in neural networks and extend such results also to quantum neural networks to demonstrate the generality of our approach. We benchmark our approaches against (quantum) physics-informed neural networks, where we show favourable performance.
Machine learning (ML) has recently facilitated many advances in solving problems related to many-body physical systems. Given the intrinsic quantum nature of these problems, it is natural to speculate that quantum-enhanced machine learning will enable us to unveil even greater details than we currently have. With this motivation, this paper examines a quantum machine learning approach based on shallow variational ansatz inspired by tensor networks for supervised learning tasks. In particular, we first look at the standard image classification tasks using the Fashion-MNIST dataset and study the effect of repeating tensor network layers on ansatz's expressibility and performance. Finally, we use this strategy to tackle the problem of quantum phase recognition for the transverse-field Ising and Heisenberg spin models in one and two dimensions, where we were able to reach $\geq 98\%$ test-set accuracies with both multi-scale entanglement renormalization ansatz (MERA) and tree tensor network (TTN) inspired parametrized quantum circuits.
The interplay between quantum physics and machine learning gives rise to the emergent frontier of quantum machine learning, where advanced quantum learning models may outperform their classical counterparts in solving certain challenging problems. However, quantum learning systems are vulnerable to adversarial attacks: adding tiny carefully-crafted perturbations on legitimate input samples can cause misclassifications. To address this issue, we propose a general scheme to protect quantum learning systems from adversarial attacks by randomly encoding the legitimate data samples through unitary or quantum error correction encoders. In particular, we rigorously prove that both global and local random unitary encoders lead to exponentially vanishing gradients (i.e. barren plateaus) for any variational quantum circuits that aim to add adversarial perturbations, independent of the input data and the inner structures of adversarial circuits and quantum classifiers. In addition, we prove a rigorous bound on the vulnerability of quantum classifiers under local unitary adversarial attacks. We show that random black-box quantum error correction encoders can protect quantum classifiers against local adversarial noises and their robustness increases as we concatenate error correction codes. To quantify the robustness enhancement, we adapt quantum differential privacy as a measure of the prediction stability for quantum classifiers. Our results establish versatile defense strategies for quantum classifiers against adversarial perturbations, which provide valuable guidance to enhance the reliability and security for both near-term and future quantum learning technologies.