Understanding the power of parameterized quantum circuits (PQCs) in accomplishing machine learning tasks is one of the most important questions in quantum machine learning. In this paper, we focus on the PQC expressivity for general multivariate function classes. Previously established Universal Approximation Theorems for PQCs are either nonconstructive or assisted with parameterized classical data processing, making it hard to justify whether the expressive power comes from the classical or quantum parts. We explicitly construct data re-uploading PQCs for approximating multivariate polynomials and smooth functions and establish the first non-asymptotic approximation error bounds for such functions in terms of the number of qubits, the quantum circuit depth and the number of trainable parameters of the PQCs. Notably, we show that for multivariate polynomials and multivariate smooth functions, the quantum circuit size and the number of trainable parameters of our proposed PQCs can be smaller than the deep ReLU neural networks. We further demonstrate the approximation capability of PQCs via numerical experiments. Our results pave the way for designing practical PQCs that can be implemented on near-term quantum devices with limited resources.

Quantum machine learning (QML) is recognized as a promising approach to harness quantum computing for learning tasks [1-3]. As with all quantum algorithms, a central question is whether QML holds potential for quantum advantage [4-7] over classical computing. The counter-narrative to quantum advantage is dequantization, where upon close inspection certain quantum algorithms yield no benefit over classical counterparts, as one can classically solve the task at hand. Dequantization of quantum algorithms for machine learning, in particular, has seen a surge of interest in recent years, leaving few claims of quantum advantage unchallenged [8-12]. While QML models for classical data can be studied from several perspectives, significant theoretical developments have emerged from investigating the function families that parametrized quantum circuits (PQCs) can give rise to [8, 10, 13-16]. Characterizing the functional forms arising from PQCs allows us to delineate the boundaries of quantum learning and guide the search for advantage.

We present a hybrid quantum-classical recurrent neural network (QRNN) architecture in which the recurrent core is realized as a parametrized quantum circuit (PQC) controlled by a classical feedforward network. The hidden state is the quantum state of an $n$-qubit PQC in an exponentially large Hilbert space $\mathbb{C}^{2^n}$, which serves as a coherent recurrent quantum memory. The PQC is unitary by construction, making the hidden-state evolution norm-preserving without external constraints. At each timestep, mid-circuit Pauli expectation-value readouts are combined with the input embedding and processed by the feedforward network, which provides explicit classical nonlinearity. The outputs parametrize the PQC, which updates the hidden state via unitary dynamics. The QRNN is compact and physically consistent, and it unifies (i) unitary recurrence as a high-capacity memory, (ii) partial observation via mid-circuit readouts, and (iii) nonlinear classical control for input-conditioned parametrization. We evaluate the model in simulation with up to 14 qubits on sentiment analysis, MNIST, permuted MNIST, copying memory, and language modeling. For sequence-to-sequence learning, we further devise a soft attention mechanism over the mid-circuit readouts and show its effectiveness for machine translation. To our knowledge, this is the first model (RNN or otherwise) grounded in quantum operations to achieve competitive performance against strong classical baselines across a broad class of sequence-learning tasks.

Parameterized quantum circuits (PQCs) have emerged as a promising approach for quantum neural networks. However, understanding their expressive power in accomplishing machine learning tasks remains a crucial question. This paper investigates the expressivity of PQCs for approximating general multivariate function classes. Unlike previous Universal Approximation Theorems for PQCs, which are either nonconstructive or rely on parameterized classical data processing, we explicitly construct data re-uploading PQCs for approximating multivariate polynomials and smooth functions. We establish the first non-asymptotic approximation error bounds for these functions in terms of the number of qubits, quantum circuit depth, and number of trainable parameters. Notably, we demonstrate that for approximating functions that satisfy specific smoothness criteria, the quantum circuit size and number of trainable parameters of our proposed PQCs can be smaller than those of deep ReLU neural networks.

Despite numerous proposed applications, there remains limited exploration of datasets relevant to quantum chemistry. In this study, we investigate the potential benefits and limitations of PQCs on two chemically meaningful datasets: (1) the BSE49 dataset, containing bond separation energies for 49 different classes of chemical bonds, and (2) a dataset of water conformations, where coupled-cluster singles and doubles (CCSD) wavefunctions are predicted from lower-level electronic structure methods using the data-driven coupled-cluster (DDCC) approach. We construct a comprehensive set of 168 PQCs by combining 14 data encoding strategies with 12 variational ansätze, and evaluate their performance on circuits with 5 and 16 qubits. Our initial analysis examines the impact of circuit structure on model performance using state-vector simulations. We then explore how circuit depth and training set size influence model performance. Finally, we assess the performance of the best-performing PQCs on current quantum hardware, using both noisy simulations ("fake" backends) and real quantum devices. Our findings underscore the challenges of applying PQCs to chemically relevant problems that are straightforward for classical machine learning methods but remain non-trivial for quantum approaches. 2 1 Introduction In recent years, machine learning (ML) has emerged as a popular tool in chemistry to reveal new patterns in data, provide new insights beyond simple models, accelerate computations, and analyze chemical space. For computational chemists, the primary goal of applying ML is often to circumvent the explicit calculation of molecular properties, which can be computationally expensive for large datasets.

The optimal power flow (OPF) is a large-scale optimization problem that is central in the operation of electric power systems. Although it can be posed as a nonconvex quadratically constrained quadratic program, the complexity of modern-day power grids raises scalability and optimality challenges. In this context, this work proposes a variational quantum paradigm for solving the OPF. We encode primal variables through the state of a parameterized quantum circuit (PQC), and dual variables through the probability mass function associated with a second PQC. The Lagrangian function can thus be expressed as scaled expectations of quantum observables. An OPF solution can be found by minimizing/maximizing the Lagrangian over the parameters of the first/second PQC. We pursue saddle points of the Lagrangian in a hybrid fashion. Gradients of the Lagrangian are estimated using the two PQCs, while PQC parameters are updated classically using a primal-dual method. We propose permuting primal variables so that OPF observables are expressed in a banded form, allowing them to be measured efficiently. Numerical tests on the IEEE 57-node power system using Pennylane's simulator corroborate that the proposed doubly variational quantum framework can find high-quality OPF solutions. Although showcased for the OPF, this framework features a broader scope, including conic programs with numerous variables and constraints, problems defined over sparse graphs, and training quantum machine learning models to satisfy constraints.

This work has been accepted for presentation at IEEE Quantum Week 2025: IEEE International Conference on Quantum Computing and Engineering (QCE). Abstract --Quantum computing holds immense potential, yet its practical success depends on multiple factors, including advances in quantum circuit design. In this paper, we introduce a generative approach based on denoising diffusion models (DMs) to synthesize parameterized quantum circuits (PQCs). We demonstrate our approach in synthesizing PQCs optimized for generating high-fidelity Greenberger-Horne-Zeilinger (GHZ) states and achieving high accuracy in quantum machine learning (QML) classification tasks. Our results indicate a strong generalization across varying gate sets and scaling qubit counts, highlighting the versatility and computational efficiency of diffusion-based methods. This work illustrates the potential of generative models as a powerful tool for accelerating and optimizing the design of PQCs, supporting the development of more practical and scalable quantum applications. This is challenging due to hardware constraints like limited qubit counts and restricted gate sets [3]-[5].

Parameterized quantum circuits (PQCs) have recently emerged as promising components for enhancing the expressibility of neural architectures. In this work, we introduce QFFN-BERT, a hybrid quantum-classical transformer where the feedforward network (FFN) modules of a compact BERT variant are replaced by PQC-based layers. This design is motivated by the dominant parameter contribution of FFNs, which account for approximately two-thirds of the parameters within standard Transformer encoder blocks. While prior studies have primarily integrated PQCs into self-attention modules, our work focuses on the FFN and systematically investigates the trade-offs between PQC depth, expressibility, and trainability. Our final PQC architecture incorporates a residual connection, both $R_Y$ and $R_Z$ rotations, and an alternating entanglement strategy to ensure stable training and high expressibility. Our experiments, conducted on a classical simulator, on the SST-2 and DBpedia benchmarks demonstrate two key findings. First, a carefully configured QFFN-BERT achieves up to 102.0% of the baseline accuracy, surpassing its classical counterpart in a full-data setting while reducing FFN-specific parameters by over 99%. Second, our model exhibits a consistent and competitive edge in few-shot learning scenarios, confirming its potential for superior data efficiency. These results, supported by an ablation study on a non-optimized PQC that failed to learn, confirm that PQCs can serve as powerful and parameter-efficient alternatives to classical FFNs when co-designed with foundational deep learning principles.

Understanding the power of parameterized quantum circuits (PQCs) in accomplishing machine learning tasks is one of the most important questions in quantum machine learning. In this paper, we focus on the PQC expressivity for general multivariate function classes. Previously established Universal Approximation Theorems for PQCs are either nonconstructive or assisted with parameterized classical data processing, making it hard to justify whether the expressive power comes from the classical or quantum parts. We explicitly construct data re-uploading PQCs for approximating multivariate polynomials and smooth functions and establish the first non-asymptotic approximation error bounds for such functions in terms of the number of qubits, the quantum circuit depth and the number of trainable parameters of the PQCs. Notably, we show that for multivariate polynomials and multivariate smooth functions, the quantum circuit size and the number of trainable parameters of our proposed PQCs can be smaller than the deep ReLU neural networks.