arXiv subjects

Savvas Varsamopoulos

Publications and source records attributed to Savvas Varsamopoulos.

9 recordsLinked to original sources

arXiv2026

Conservative quantum offline model-based optimization

Offline model-based optimization (MBO) refers to the task of optimizing a black-box objective function using only a fixed set of prior input-output data, without any active experimentation. Recent work has introduced quantum extremal learning (QEL), which leverages the expressive power of variational quantum circuits to learn accurate surrogate functions by training on a few data points. However, as widely studied in the classical machine learning literature, predictive models may incorrectly extrapolate objective values in unexplored regions, leading to the selection of overly optimistic solutions. In this paper, we propose integrating QEL with conservative objective models (COM) - a regularization technique aimed at ensuring cautious predictions on out-of-distribution inputs. The resulting hybrid algorithm, COM-QEL, builds on the expressive power of quantum neural networks while safeguarding generalization via conservative modeling. Empirical results on benchmark optimization tasks demonstrate that COM-QEL reliably finds solutions with higher true objective values compared to the original QEL, validating its superiority for offline design problems.

quant-ph↗

arXiv2026

Inductive Graph Representation Learning with Quantum Graph Neural Networks

Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack flexibility due to graph-specific quantum circuit designs, limiting their applicability to diverse real-world problems. To address this, we propose a versatile QGNN framework inspired by GraphSAGE, using quantum models as aggregators. We integrate inductive representation learning techniques with parameterized quantum convolutional and pooling layers, bridging classical and quantum paradigms. The convolutional layer is flexible, allowing tailored designs for specific tasks. Benchmarked on a node regression task with the QM9 dataset, our framework, using a single minimal circuit for all aggregation steps, handles molecules with varying numbers of atoms without changing qubits or circuit architecture. While classical GNNs achieve higher training performance, our quantum approach remains competitive and often shows stronger generalization as molecular complexity increases. We also observe faster learning in early training epochs. To mitigate trainability limitations of a single-circuit setup, we extend the framework with multiple quantum aggregators on QM9. Assigning distinct circuits to each hop substantially improves training performance across all cases. Additionally, we numerically demonstrate the absence of barren plateaus as qubit numbers increase, suggesting that the proposed model can scale to larger, more complex graph-based problems.

quant-ph↗

arXiv2025

Experimental differentiation and extremization with analog quantum circuits

Solving and optimizing differential equations (DEs) is ubiquitous in both engineering and fundamental science. The promise of quantum architectures to accelerate scientific computing thus naturally involved interest towards how efficiently quantum algorithms can solve DEs. Differentiable quantum circuits (DQC) offer a viable route to compute DE solutions using a variational approach amenable to existing quantum computers, by producing a machine-learnable surrogate of the solution. Quantum extremal learning (QEL) complements such approach by finding extreme points in the output of learnable models of unknown (implicit) functions, offering a powerful tool to bypass a full DE solution, in cases where the crux consists in retrieving solution extrema. In this work, we provide the results from the first experimental demonstration of both DQC and QEL, displaying their performance on a synthetic usecase. Whilst both DQC and QEL are expected to require digital quantum hardware, we successfully challenge this assumption by running a closed-loop instance on a commercial analog quantum computer, based upon neutral atom technology.

quant-ph↗

arXiv2025

Quantum Graph Attention Networks: Trainable Quantum Encoders for Inductive Graph Learning

We introduce Quantum Graph Attention Networks (QGATs) as trainable quantum encoders for inductive learning on graphs, extending the Quantum Graph Neural Networks (QGNN) framework. QGATs leverage parameterized quantum circuits to encode node features and neighborhood structures, with quantum attention mechanisms modulating the contribution of each neighbor via dynamically learned unitaries. This allows for expressive, locality-aware quantum representations that can generalize across unseen graph instances. We evaluate our approach on the QM9 dataset, targeting the prediction of various chemical properties. Our experiments compare classical and quantum graph neural networks-with and without attention layers-demonstrating that attention consistently improves performance in both paradigms. Notably, we observe that quantum attention yields increasing benefits as graph size grows, with QGATs significantly outperforming their non-attentive quantum counterparts on larger molecular graphs. Furthermore, for smaller graphs, QGATs achieve predictive accuracy comparable to classical GAT models, highlighting their viability as expressive quantum encoders. These results show the potential of quantum attention mechanisms to enhance the inductive capacity of QGNN in chemistry and beyond.

quant-ph↗

arXiv2025

Materials Discovery With Quantum-Enhanced Machine Learning Algorithms

Materials discovery is a computationally intensive process that requires exploring vast chemical spaces to identify promising candidates with desirable properties. In this work, we propose using quantum-enhanced machine learning algorithms following the extremal learning framework to predict novel heteroacene structures with low hole reorganization energy $λ$, a key property for organic semiconductors. We leverage chemical data generated in a previous large-scale virtual screening to construct three initial training datasets containing 54, 99 and 119 molecules encoded using $N=7,16$ and 22 bits, respectively. Furthermore, a sequential learning process is employed to augment the initial training data with compounds predicted by the algorithms through iterative retraining. Both algorithms are able to successfully extrapolate to heteroacene structures with lower $λ$ than in the initial dataset, demonstrating good generalization capabilities even when the amount of initial data is limited. We observe an improvement in the quality of the predicted compounds as the number of encoding bits $N$ increases, which offers an exciting prospect for applying the algorithms to richer chemical spaces that require larger values of $N$ and hence, in perspective, larger quantum circuits to deploy the proposed quantum-enhanced protocols.

cond-mat.mtrl-sci↗

arXiv2022

Quantum Extremal Learning

We propose a quantum algorithm for `extremal learning', which is the process of finding the input to a hidden function that extremizes the function output, without having direct access to the hidden function, given only partial input-output (training) data. The algorithm, called quantum extremal learning (QEL), consists of a parametric quantum circuit that is variationally trained to model data input-output relationships and where a trainable quantum feature map, that encodes the input data, is analytically differentiated in order to find the coordinate that extremizes the model. This enables the combination of established quantum machine learning modelling with established quantum optimization, on a single circuit/quantum computer. We have tested our algorithm on a range of classical datasets based on either discrete or continuous input variables, both of which are compatible with the algorithm. In case of discrete variables, we test our algorithm on synthetic problems formulated based on Max-Cut problem generators and also considering higher order correlations in the input-output relationships. In case of the continuous variables, we test our algorithm on synthetic datasets in 1D and simple ordinary differential functions. We find that the algorithm is able to successfully find the extremal value of such problems, even when the training dataset is sparse or a small fraction of the input configuration space. We additionally show how the algorithm can be used for much more general cases of higher dimensionality, complex differential equations, and with full flexibility in the choice of both modeling and optimization ansatz. We envision that due to its general framework and simple construction, the QEL algorithm will be able to solve a wide variety of applications in different fields, opening up areas of further research.

quant-ph↗

arXiv2019

Comparing neural network based decoders for the surface code

Matching algorithms can be used for identifying errors in quantum systems, being the most famous the Blossom algorithm. Recent works have shown that small distance quantum error correction codes can be efficiently decoded by employing machine learning techniques based on neural networks (NN). Various NN-based decoders have been proposed to enhance the decoding performance and the decoding time. Their implementation differs in how the decoding is performed, at logical or physical level, as well as in several neural network related parameters. In this work, we implement and compare two NN-based decoders, a low level decoder and a high level decoder, and study how different NN parameters affect their decoding performance and execution time. Crucial parameters such as the size of the training dataset, the structure and the type of the neural network, and the learning rate used during training are discussed. After performing this comparison, we conclude that the high level decoder based on a Recurrent NN shows a better balance between decoding performance and execution time and it is much easier to train. We then test its decoding performance for different code distances, probability datasets and under the depolarizing and circuit error models.

quant-ph↗

arXiv2019

Decoding surface code with a distributed neural network based decoder

There has been a rise in decoding quantum error correction codes with neural network based decoders, due to the good decoding performance achieved and adaptability to any noise model. However, the main challenge is scalability to larger code distances due to an exponential increase of the error syndrome space. Note that, successfully decoding the surface code under realistic noise assumptions will limit the size of the code to less than 100 qubits with current neural network based decoders. Such a problem can be tackled by a distributed way of decoding, similar to the Renormalization Group (RG) decoders. In this paper, we introduce a decoding algorithm that combines the concept of RG decoding and neural network based decoders. We tested the decoding performance under depolarizing noise with noiseless error syndrome measurements for the rotated surface code and compared against the Blossom algorithm and a neural network based decoder. We show that similar level of decoding performance can be achieved between all tested decoders while providing a solution to the scalability issues of neural network based decoders.

quant-ph↗

arXiv2017

Decoding Small Surface Codes with Feedforward Neural Networks

Surface codes reach high error thresholds when decoded with known algorithms, but the decoding time will likely exceed the available time budget, especially for near-term implementations. To decrease the decoding time, we reduce the decoding problem to a classification problem that a feedforward neural network can solve. We investigate quantum error correction and fault tolerance at small code distances using neural network-based decoders, demonstrating that the neural network can generalize to inputs that were not provided during training and that they can reach similar or better decoding performance compared to previous algorithms. We conclude by discussing the time required by a feedforward neural network decoder in hardware.

quant-ph↗