arXiv subjects

Maniraman Periyasamy

Publications and source records attributed to Maniraman Periyasamy.

18 recordsLinked to original sources

arXiv2026

Hybrid Quantum Neural Networks: Theory, Implementations, and Applications

Artificial intelligence has been transformed by deep neural networks, yet the search for new learning architectures continues. Quantum machine learning offers one such direction, and hybrid quantum neural networks, which combine classical neural-network components with quantum information processing units, have emerged as a practical framework for near-term quantum technologies. However, the rapid development of the field across diverse architectures, benchmarks and hardware assumptions makes it difficult to assess the utility of various proposals, identify where genuine advantages may arise, and determine how practitioners can use these models. While recent benchmarks caution that such gains have not yet been demonstrated at scale, theoretical work has identified tasks on which quantum models hold provable advantages, and hybrid approaches have delivered promising results on practical problems using deliberately compact quantum components and substantially fewer trainable parameters. Here, we review hybrid quantum neural networks for the machine-learning and quantum-machine-learning communities. We summarize their main theoretical and methodological foundations, survey some of the most promising architectures developed so far, and examine their implementation challenges and reported performance. By consolidating these perspectives, this review provides a structured view of the state of the field and helps identify promising paths for future research and application-driven development.

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arXiv2026

Shot-based quantum encoding: a data-loading paradigm for quantum neural networks

Efficient data loading remains a bottleneck for near-term quantum machine learning. Existing schemes (angle, amplitude, and basis encoding) either underuse the exponential Hilbert-space capacity or require circuit depths that exceed the coherence budgets of noisy intermediate-scale quantum hardware. We introduce shot-based quantum encoding (SBQE), a data embedding strategy that distributes the hardware's native resource, shots, according to a data-dependent classical distribution over multiple initial quantum states. By treating the shot counts as a learnable degree of freedom, SBQE produces a mixed-state representation whose expectation values are linear in the classical probabilities and can therefore be composed with nonlinear activation functions. We show that SBQE is structurally equivalent to a multilayer perceptron whose weights are realized by quantum circuits, and we describe a hardware-compatible implementation protocol. Benchmarks on three image datasets, with 10 independent initializations per model, show that SBQE achieves 89.1% +- 0.9% test accuracy on Semeion (reducing error by 5.3% relative to amplitude encoding and matching a width-matched classical network), 80.95% +- 0.10% on Fashion MNIST (exceeding amplitude encoding by +2.0% and a linear multilayer perceptron by +1.3%), and 90.25% +- 0.18% on MNIST (exceeding amplitude encoding by 2.1 percentage points and the width-matched classical network by 0.3), all without any data-encoding gates.

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arXiv2026

A Transferable Machine Learning Approach to Predict Optimized Orbitals for Electronic Structure Problems

Variational quantum eigensolver ansätze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently strongly depend on how well the molecular orbital basis captures the electronic correlation of the system. Computing optimized orbital coefficients via classical routines is computationally expensive and must be performed independently for each molecular geometry -- a bottleneck that limits scalability across chemical space. We present a graph neural network framework that predicts optimized orbital coefficients directly from molecular geometry and pair-wise bonding structure. Trained on hydrogenic systems of modest size ($H_4$ and $H_6$) across tens of thousands of geometries, our model transfers to larger, unseen systems ($H_8$, $H_{10}$ and $H_{12}$) without retraining -- demonstrating strong out-of-distribution generalization with respect to system size. When evaluating on structured and random configurations, and comparing against energies obtained with full classical optimization, our model reaches mean absolute energy errors $\mathcal{O}(10^2)$ and $\mathcal{O}(10)$ milli-Hartrees, respectively. Beyond energy estimation, the predicted orbitals serve as high-quality warm-start initializations that substantially reduce optimizer iterations to ground-state energy convergence. These results establish graph neural networks as an effective and scalable strategy for accelerating orbital optimization in hybrid quantum-classical workflows, directly reducing the classical pre-processing overhead that currently limits the practical deployment of variational quantum eigensolver on near-term quantum hardware.

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arXiv2026

Soft-Quantum Algorithms

Quantum operations on pure states can be fully represented by unitary matrices. Variational quantum circuits, also known as quantum neural networks, embed data and trainable parameters into gate-based operations and optimize the parameters via gradient descent. The high cost of training and low fidelity of current quantum devices, however, restricts much of quantum machine learning to classical simulation. For few-qubit problems with large datasets, training the matrix elements directly, as is done with weight matrices in classical neural networks, can be faster than decomposing data and parameters into gates. We propose a method that trains matrices directly while maintaining unitarity through a single regularization term added to the loss function. A second training step, circuit alignment, then recovers a gate-based architecture from the resulting soft-unitary. On a five-qubit supervised classification task with 1000 datapoints, this two-step process produces a trained variational circuit in under four minutes, compared to over two hours for direct circuit training, while achieving lower binary cross-entropy loss. In a second experiment, soft-unitaries are embedded in a hybrid quantum-classical network for a reinforcement learning cartpole task, where the hybrid agent outperforms a purely classical baseline of comparable size.

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arXiv2026

Superposed parameterised quantum circuits

Quantum machine learning has shown promise for high-dimensional data analysis, yet many existing approaches rely on linear unitary operations and shared trainable parameters across outputs. These constraints limit expressivity and scalability relative to the multi-layered, non-linear architectures of classical deep networks. We introduce superposed parameterised quantum circuits to overcome these limitations. By combining flip-flop quantum random-access memory with repeat-until-success protocols, a superposed parameterised quantum circuit embeds an exponential number of parameterised sub-models in a single circuit and induces polynomial activation functions through amplitude transformations and post-selection. We provide an analytic description of the architecture, showing how multiple parameter sets are trained in parallel while non-linear amplitude transformations broaden representational power beyond conventional quantum kernels. Numerical experiments underscore these advantages: on a 1D step-function regression a two-qubit superposed parameterised quantum circuit cuts the mean-squared error by three orders of magnitude versus a parameter-matched variational baseline; on a 2D star-shaped two-dimensional classification task, introducing a quadratic activation lifts accuracy to 81.4\% and reduces run-to-run variance three-fold. These results position superposed parameterised quantum circuits as a hardware-efficient route toward deeper, more versatile parameterised quantum circuits capable of learning complex decision boundaries.

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arXiv2025

CutReg: A loss regularizer for enhancing the scalability of QML via adaptive circuit cutting

Whether QML can offer a transformative advantage remains an open question. The severe constraints of NISQ hardware, particularly in circuit depth and connectivity, hinder both the validation of quantum advantage and the empirical investigation of major obstacles like barren plateaus. Circuit cutting techniques have emerged as a strategy to execute larger quantum circuits on smaller, less connected hardware by dividing them into subcircuits. However, this partitioning increases the number of samples needed to estimate the expectation value accurately through classical post-processing compared to estimating it directly from the full circuit. This work introduces a novel regularization term into the QML optimization process, directly penalizing the overhead associated with sampling. We demonstrate that this approach enables the optimizer to balance the advantages of gate cutting against the optimization of the typical ML cost function. Specifically, it navigates the trade-off between minimizing the cutting overhead and maintaining the overall accuracy of the QML model, paving the way to study larger complex problems in pursuit of quantum advantage.

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arXiv2025

Guided-SPSA: Simultaneous Perturbation Stochastic Approximation assisted by the Parameter Shift Rule

The study of variational quantum algorithms (VQCs) has received significant attention from the quantum computing community in recent years. These hybrid algorithms, utilizing both classical and quantum components, are well-suited for noisy intermediate-scale quantum devices. Though estimating exact gradients using the parameter-shift rule to optimize the VQCs is realizable in NISQ devices, they do not scale well for larger problem sizes. The computational complexity, in terms of the number of circuit evaluations required for gradient estimation by the parameter-shift rule, scales linearly with the number of parameters in VQCs. On the other hand, techniques that approximate the gradients of the VQCs, such as the simultaneous perturbation stochastic approximation (SPSA), do not scale with the number of parameters but struggle with instability and often attain suboptimal solutions. In this work, we introduce a novel gradient estimation approach called Guided-SPSA, which meaningfully combines the parameter-shift rule and SPSA-based gradient approximation. The Guided-SPSA results in a 15% to 25% reduction in the number of circuit evaluations required during training for a similar or better optimality of the solution found compared to the parameter-shift rule. The Guided-SPSA outperforms standard SPSA in all scenarios and outperforms the parameter-shift rule in scenarios such as suboptimal initialization of the parameters. We demonstrate numerically the performance of Guided-SPSA on different paradigms of quantum machine learning, such as regression, classification, and reinforcement learning.

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arXiv2025

Optimizing Quantum Circuits via ZX Diagrams using Reinforcement Learning and Graph Neural Networks

Quantum computing is currently strongly limited by the impact of noise, in particular introduced by the application of two-qubit gates. For this reason, reducing the number of two-qubit gates is of paramount importance on noisy intermediate-scale quantum hardware. To advance towards more reliable quantum computing, we introduce a framework based on ZX calculus, graph-neural networks and reinforcement learning for quantum circuit optimization. By combining reinforcement learning and tree search, our method addresses the challenge of selecting optimal sequences of ZX calculus rewrite rules. Instead of relying on existing heuristic rules for minimizing circuits, our method trains a novel reinforcement learning policy that directly operates on ZX-graphs, therefore allowing us to search through the space of all possible circuit transformations to find a circuit significantly minimizing the number of CNOT gates. This way we can scale beyond hard-coded rules towards discovering arbitrary optimization rules. We demonstrate our method's competetiveness with state-of-the-art circuit optimizers and generalization capabilities on large sets of diverse random circuits.

cs.LG↗

arXiv2024

Fourier Analysis of Variational Quantum Circuits for Supervised Learning

VQC can be understood through the lens of Fourier analysis. It is already well-known that the function space represented by any circuit architecture can be described through a truncated Fourier sum. We show that the spectrum available to that truncated Fourier sum is not entirely determined by the encoding gates of the circuit, since the variational part of the circuit can constrain certain coefficients to zero, effectively removing that frequency from the spectrum. To the best of our knowledge, we give the first description of the functional dependence of the Fourier coefficients on the variational parameters as trigonometric polynomials. This allows us to provide an algorithm which computes the exact spectrum of any given circuit and the corresponding Fourier coefficients. Finally, we demonstrate that by comparing the Fourier transform of the dataset to the available spectra, it is possible to predict which VQC out of a given list of choices will be able to best fit the data.

cs.LG↗

arXiv2024

Unitary Synthesis of Clifford+T Circuits with Reinforcement Learning

This paper presents a deep reinforcement learning approach for synthesizing unitaries into quantum circuits. Unitary synthesis aims to identify a quantum circuit that represents a given unitary while minimizing circuit depth, total gate count, a specific gate count, or a combination of these factors. While past research has focused predominantly on continuous gate sets, synthesizing unitaries from the parameter-free Clifford+T gate set remains a challenge. Although the time complexity of this task will inevitably remain exponential in the number of qubits for general unitaries, reducing the runtime for simple problem instances still poses a significant challenge. In this study, we apply the tree-search method Gumbel AlphaZero to solve the problem for a subset of exactly synthesizable Clifford+T unitaries. Our method effectively synthesizes circuits for up to five qubits generated from randomized circuits with up to 60 gates, outperforming existing tools like QuantumCircuitOpt and MIN-T-SYNTH in terms of synthesis time for larger qubit counts. Furthermore, it surpasses Synthetiq in successfully synthesizing random, exactly synthesizable unitaries. These results establish a strong baseline for future unitary synthesis algorithms.

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arXiv2024

Qiskit-Torch-Module: Fast Prototyping of Quantum Neural Networks

Quantum computer simulation software is an integral tool for the research efforts in the quantum computing community. An important aspect is the efficiency of respective frameworks, especially for training variational quantum algorithms. Focusing on the widely used Qiskit software environment, we develop the qiskit-torch-module. It improves runtime performance by two orders of magnitude over comparable libraries, while facilitating low-overhead integration with existing codebases. Moreover, the framework provides advanced tools for integrating quantum neural networks with PyTorch. The pipeline is tailored for single-machine compute systems, which constitute a widely employed setup in day-to-day research efforts.

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arXiv2024

Optimal joint cutting of two-qubit rotation gates

Circuit cutting, the partitioning of quantum circuits into smaller independent fragments, has become a promising avenue for scaling up current quantum-computing experiments. Here, we introduce a scheme for joint cutting of two-qubit rotation gates based on a virtual gate-teleportation protocol. By that, we significantly lower the previous upper bounds on the sampling overhead and prove optimality of the scheme. Furthermore, we show that no classical communication between the circuit partitions is required. For parallel two-qubit rotation gates we derive an optimal ancilla-free decomposition, which include CNOT gates as a special case.

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arXiv2024

BCQQ: Batch-Constraint Quantum Q-Learning with Cyclic Data Re-uploading

Deep reinforcement learning (DRL) often requires a large number of data and environment interactions, making the training process time-consuming. This challenge is further exacerbated in the case of batch RL, where the agent is trained solely on a pre-collected dataset without environment interactions. Recent advancements in quantum computing suggest that quantum models might require less data for training compared to classical methods. In this paper, we investigate this potential advantage by proposing a batch RL algorithm that utilizes VQC as function approximators within the discrete batch-constraint deep Q-learning (BCQ) algorithm. Additionally, we introduce a novel data re-uploading scheme by cyclically shifting the order of input variables in the data encoding layers. We evaluate the efficiency of our algorithm on the OpenAI CartPole environment and compare its performance to the classical neural network-based discrete BCQ.

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arXiv2024

A Survey on Quantum Reinforcement Learning

Quantum reinforcement learning is an emerging field at the intersection of quantum computing and machine learning. While we intend to provide a broad overview of the literature on quantum reinforcement learning - our interpretation of this term will be clarified below - we put particular emphasis on recent developments. With a focus on already available noisy intermediate-scale quantum devices, these include variational quantum circuits acting as function approximators in an otherwise classical reinforcement learning setting. In addition, we survey quantum reinforcement learning algorithms based on future fault-tolerant hardware, some of which come with a provable quantum advantage. We provide both a birds-eye-view of the field, as well as summaries and reviews for selected parts of the literature.

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arXiv2023

Cutting multi-control quantum gates with ZX calculus

Circuit cutting, the decomposition of a quantum circuit into independent partitions, has become a promising avenue towards experiments with larger quantum circuits in the noisy-intermediate scale quantum (NISQ) era. While previous work focused on cutting qubit wires or two-qubit gates, in this work we introduce a method for cutting multi-controlled Z gates. We construct a decomposition and prove the upper bound $\mathcal{O}(6^{2K})$ on the associated sampling overhead, where $K$ is the number of cuts in the circuit. This bound is independent of the number of control qubits but can be further reduced to $\mathcal{O}(4.5^{2K})$ for the special case of CCZ gates. Furthermore, we evaluate our proposal on IBM hardware and experimentally show noise resilience due to the strong reduction of CNOT gates in the cut circuits.

quant-ph↗

arXiv2023

An Empirical Comparison of Optimizers for Quantum Machine Learning with SPSA-based Gradients

VQA have attracted a lot of attention from the quantum computing community for the last few years. Their hybrid quantum-classical nature with relatively shallow quantum circuits makes them a promising platform for demonstrating the capabilities of NISQ devices. Although the classical machine learning community focuses on gradient-based parameter optimization, finding near-exact gradients for VQC with the parameter-shift rule introduces a large sampling overhead. Therefore, gradient-free optimizers have gained popularity in quantum machine learning circles. Among the most promising candidates is the SPSA algorithm, due to its low computational cost and inherent noise resilience. We introduce a novel approach that uses the approximated gradient from SPSA in combination with state-of-the-art gradient-based classical optimizers. We demonstrate numerically that this outperforms both standard SPSA and the parameter-shift rule in terms of convergence rate and absolute error in simple regression tasks. The improvement of our novel approach over SPSA with stochastic gradient decent is even amplified when shot- and hardware-noise are taken into account. We also demonstrate that error mitigation does not significantly affect our results.

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arXiv2022

Uncovering Instabilities in Variational-Quantum Deep Q-Networks

Deep Reinforcement Learning (RL) has considerably advanced over the past decade. At the same time, state-of-the-art RL algorithms require a large computational budget in terms of training time to converge. Recent work has started to approach this problem through the lens of quantum computing, which promises theoretical speed-ups for several traditionally hard tasks. In this work, we examine a class of hybrid quantum-classical RL algorithms that we collectively refer to as variational quantum deep Q-networks (VQ-DQN). We show that VQ-DQN approaches are subject to instabilities that cause the learned policy to diverge, study the extent to which this afflicts reproduciblity of established results based on classical simulation, and perform systematic experiments to identify potential explanations for the observed instabilities. Additionally, and in contrast to most existing work on quantum reinforcement learning, we execute RL algorithms on an actual quantum processing unit (an IBM Quantum Device) and investigate differences in behaviour between simulated and physical quantum systems that suffer from implementation deficiencies. Our experiments show that, contrary to opposite claims in the literature, it cannot be conclusively decided if known quantum approaches, even if simulated without physical imperfections, can provide an advantage as compared to classical approaches. Finally, we provide a robust, universal and well-tested implementation of VQ-DQN as a reproducible testbed for future experiments.

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arXiv2022

Incremental Data-Uploading for Full-Quantum Classification

The data representation in a machine-learning model strongly influences its performance. This becomes even more important for quantum machine learning models implemented on noisy intermediate scale quantum (NISQ) devices. Encoding high dimensional data into a quantum circuit for a NISQ device without any loss of information is not trivial and brings a lot of challenges. While simple encoding schemes (like single qubit rotational gates to encode high dimensional data) often lead to information loss within the circuit, complex encoding schemes with entanglement and data re-uploading lead to an increase in the encoding gate count. This is not well-suited for NISQ devices. This work proposes 'incremental data-uploading', a novel encoding pattern for high dimensional data that tackles these challenges. We spread the encoding gates for the feature vector of a given data point throughout the quantum circuit with parameterized gates in between them. This encoding pattern results in a better representation of data in the quantum circuit with a minimal pre-processing requirement. We show the efficiency of our encoding pattern on a classification task using the MNIST and Fashion-MNIST datasets, and compare different encoding methods via classification accuracy and the effective dimension of the model.

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