arXiv subjects

Renato M. S. Farias

Publications and source records attributed to Renato M. S. Farias.

8 recordsLinked to original sources

arXiv2026

Scalable Message-Passing Quantum Graph Neural Networks in the Weisfeiler-Leman Hierarchy

Graphs provide a natural language for relational data in chemistry, biology and optimisation. Graph neural networks (GNNs) have driven much of the recent progress in learning from such data through message passing, a single primitive that generalises convolution and attention. Quantum counterparts have been proposed, but with limited connection to message passing and few guarantees on performance or scalability. More broadly, the trainability of variational quantum circuits is a recognised bottleneck for their wide applicability, and pre-training has emerged as one way to address it. Yet for a quantum model to be useful, it must offer expressivity guarantees along with demonstrable scalability. Here we show how a quantum graph neural network can be built to perform message passing, to be permutation equivariant, and to sit at a chosen level of the Weisfeiler-Leman hierarchy, the standard measure of how finely a model can tell graphs apart. We show that, as for classical GNNs, the training can be done first on small graph instances, allowing for a pre-training that can mitigate usual training issues, and its output can be read out at a cost that stays low as the graph grows. We validate the framework in large-scale simulations of up to 56 qubits across three datasets, on synthetic graphs that ordinary message passing cannot separate, on molecular property prediction, and on the travelling salesperson problem. Our framework opens a path for near-term quantum algorithms with theoretical guarantees and practical scalability, bringing the principles of graph learning into quantum circuit design.

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arXiv2026

Quantum optimization with exact geodesic transport

We introduce an architecture for variational quantum algorithms that can be efficiently trained via parameter updates along exact geodesics on the Riemannian state manifold. This features a parameter-optimal circuit ansatz which supersedes known quantum natural gradient methods by removing expensive estimations of the metric tensor and provably reducing gradient estimation costs by $62.5\%$. Moreover, the framework also naturally incorporates conjugate gradients as a built-in feature, giving an accelerated descent method with convergence guarantees that we dub exact geodesic transport with conjugate gradients. Numerical benchmarks against state-of-the-art variational methods for ground-state preparation of molecular Hamiltonians or $1$-dimensional spin chains (both with and without particle-number conservation) up to $n=16$ qubits show reductions of over one order of magnitude in the number of optimization steps, with global convergence even for degenerate cases and competitive quantum-resource scalings. In addition, we perform proof-of-principle demonstrations on IonQ's Forte quantum processor, showcasing deployment of pre-trained circuits for the $H_{3}^{+}$ molecule and experimental training for $H_{2}$. Our work enables quantum machine learning applications with shorter training runtime, with implications at the interface of quantum simulation, differential geometry, and optimal control theory.

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arXiv2025

Double-bracket quantum algorithms for high-fidelity ground state preparation

Ground state preparation is a central application for quantum computers but remains challenging in practice. In this work, we quantitatively investigate the performance and gate counts of double-bracket quantum algorithms (DBQAs) for ground state preparation. We propose a practical strategy in which DBQAs refine initial state preparation circuits, and we compile them for Heisenberg chains using controlled-Z and single-qubit gates. Warm-started DBQAs consistently improve both the energy and ground-state fidelity relative to the initial states provided by variational ansätze, indicating that DBQAs offer an effective unitary synthesis method. To demonstrate compatibility with near-term hardware, we executed a proof-of-concept example on IBM devices. With error mitigation, we observed a statistically significant improvement over the corresponding warm-start circuit. Furthermore, numerical emulations for the same system size indicate that executing DBQAs on Quantinuum's hardware could achieve similar cost-function gains without requiring error mitigation. These findings suggest that DBQAs are a promising approach for enhancing ground-state approximations on near-term quantum devices.

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arXiv2025

Qiboml: towards the orchestration of quantum-classical machine learning

We present Qiboml, an open-source software library for orchestrating quantum and classical components in hybrid machine learning workflows. Building on Qibo's quantum computing capabilities and integrating with popular machine learning frameworks such as TensorFlow and PyTorch, Qiboml enables the construction of quantum and hybrid models that can run on a broad range of backends: (i) multi-threaded CPUs, GPUs, and multi-GPU systems for simulation with statevector or tensor network methods; (ii) quantum processing units, both on-premise and through cloud providers. In this paper, we showcase its functionalities, including diverse simulation options, noise-aware simulations, and real-time error mitigation and calibration.

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arXiv2025

Quantum encoder for fixed Hamming-weight subspaces

We present an exact $n$-qubit computational-basis amplitude encoder of real- or complex-valued data vectors of $d=\binom{n}{k}$ components into a subspace of fixed Hamming weight $k$. This represents a polynomial space compression of degree $k$. The circuit is optimal in that it expresses an arbitrary data vector using only $d-1$ (controlled) Reconfigurable Beam Splitter (RBS) gates and is constructed by an efficient classical algorithm that sequentially generates all bitstrings of weight $k$ and identifies the gates that superpose the corresponding states with the correct amplitudes. An explicit compilation into CNOTs and single-qubit gates is presented, with the total CNOT-gate count of $\mathcal{O}(k\, d)$ provided in analytical form. In addition, we show how to load data in the binary basis by sequentially stacking encoders of different Hamming weights using $\mathcal{O}(d\,\log(d))$ CNOT gates. Moreover, using generalized RBS gates that mix states of different Hamming weights, we extend the construction to efficiently encode arbitrary sparse vectors. Experimentally, we perform a proof-of-principle demonstration of our scheme on a commercial trapped-ion quantum computer. We successfully upload a $q$-Gaussian probability distribution in the non-log-concave regime with $n = 6$ and $k = 2$. We also showcase how the effect of hardware noise can be alleviated by quantum error mitigation. Numerically, we show how our encoder can improve the performance of variational quantum algorithms for problems that include particle-preserving symmetries. Our results constitute a versatile framework for quantum data compression with various potential applications in fields such as quantum chemistry, quantum machine learning, and constrained combinatorial optimizations.

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arXiv2025

Robust ultra-shallow shadows

We present a robust shadow estimation protocol for wide classes of low-depth measurement circuits that mitigates noise as long as the effective measurement map including noise is locally unitarily invariant. This is in practice an excellent approximation, encompassing for instance the case of ideal single-qubit Clifford gates composing the first circuit layer of an otherwise arbitrary circuit architecture and even non-Markovian, gate-dependent noise in the rest of the circuit. We argue that for weakly-correlated local noise, the measurement channel has an efficient matrix-product representation, and show how to estimate this directly from experimental data using tensor-network tools, eliminating the need for analytical or numeric calculations. We illustrate the relevance of our method with both numerics and proof-of-principle experiments on an IBM Quantum device. Numerically, we show that unmitigated shallow shadows with noisy circuits become more biased as the depth increases. In contrast, using the same number of samples, robust ultra-shallow shadows become more precise with increasing depth for relevant parameter regimes. The gain in sample efficiency is still limited by the noise per gate, resulting in an optimal circuit depth per noise level. Experimentally, we observe improved precision in two simple fidelity estimation tasks using five-qubit circuits with up to two layers of entangling gates, by about an order of magnitude. Under the practical constraints of current and near-term noisy quantum devices, our method maximally realizes the potential of shadow estimation with global rotations and identifies its fundamental limitations in the presence of noise.

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arXiv2024

Beyond full statevector simulation with Qibo

In this proceedings, we present two new quantum circuit simulation protocols recently added as optional backends to Qibo, an open-source framework for quantum simulation, hardware control and calibration. We describe the current status of the framework as for version 0.2.9. In detail, the two new backends for Clifford and tensor networks simulation are presented and benchmarked against the state-of-the-art.

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arXiv2021

Certification of continuous-variable gates using average channel-fidelity witnesses

We introduce witnesses for the average channel fidelity between a known target gate and an arbitrary unknown channel, for continuous-variable (CV) systems. These are observables whose expectation value yields a tight lower bound to the average channel fidelity in question, thus constituting a practical tool for certification of experimental CV gates. Our framework applies to a broad class of target gates. Here, we focus on three specific types of targets: multi-mode Gaussian unitary channels, single-mode coherent state amplifiers, and the single-mode (non-Gaussian) cubic phase gate, which is a crucial ingredient for CV universal quantum computation. Our witnesses are experimentally-friendly as they rely exclusively on Gaussian measurements, even for the non-Gaussian-target case. Moreover, in all three cases, they can be measured efficiently in the estimation error $ε$ and failure probability $Δ$, as well as in the number of modes $m$ for the Gaussian-target case. To end up with, our approach for the Gaussian-target case relies on an improved measurement scheme for Gaussian state-fidelity witnesses, which is polynomially and exponentially more efficient in $m$ and $Δ$, respectively, than previous schemes. The latter constitutes an interesting byproduct result on its own. Our findings are relevant to the experimental validation of many-body quantum technologies.

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