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A Primer on Quantum Machine Learning

Chang, Su Yeon, Cerezo, M.

arXiv.org Machine Learning

Quantum machine learning (QML) is a computational paradigm that seeks to apply quantum-mechanical resources to solve learning problems. As such, the goal of this framework is to leverage quantum processors to tackle optimization, supervised, unsupervised and reinforcement learning, and generative modeling-among other tasks-more efficiently than classical models. Here we offer a high level overview of QML, focusing on settings where the quantum device is the primary learning or data generating unit. We outline the field's tensions between practicality and guarantees, access models and speedups, and classical baselines and claimed quantum advantages-flagging where evidence is strong, where it is conditional or still lacking, and where open questions remain. By shedding light on these nuances and debates, we aim to provide a friendly map of the QML landscape so that the reader can judge when-and under what assumptions-quantum approaches may offer real benefits.


Connecting phases of matter to the flatness of the loss landscape in analog variational quantum algorithms

Srimahajariyapong, Kasidit, Thanasilp, Supanut, Chotibut, Thiparat

arXiv.org Machine Learning

Variational quantum algorithms (VQAs) promise near-term quantum advantage, yet parametrized quantum states commonly built from the digital gate-based approach often suffer from scalability issues such as barren plateaus, where the loss landscape becomes flat. We study an analog VQA ansätze composed of $M$ quenches of a disordered Ising chain, whose dynamics is native to several quantum simulation platforms. By tuning the disorder strength we place each quench in either a thermalized phase or a many-body-localized (MBL) phase and analyse (i) the ansätze's expressivity and (ii) the scaling of loss variance. Numerics shows that both phases reach maximal expressivity at large $M$, but barren plateaus emerge at far smaller $M$ in the thermalized phase than in the MBL phase. Exploiting this gap, we propose an MBL initialisation strategy: initialise the ansätze in the MBL regime at intermediate quench $M$, enabling an initial trainability while retaining sufficient expressivity for subsequent optimization. The results link quantum phases of matter and VQA trainability, and provide practical guidelines for scaling analog-hardware VQAs.


Exploring Channel Distinguishability in Local Neighborhoods of the Model Space in Quantum Neural Networks

Herbst, Sabrina, Cranganore, Sandeep Suresh, De Maio, Vincenzo, Brandic, Ivona

arXiv.org Artificial Intelligence

With the increasing interest in Quantum Machine Learning, Quantum Neural Networks (QNNs) have emerged and gained significant attention. These models have, however, been shown to be notoriously difficult to train, which we hypothesize is partially due to the architectures, called ansatzes, that are hardly studied at this point. Therefore, in this paper, we take a step back and analyze ansatzes. We initially consider their expressivity, i.e., the space of operations they are able to express, and show that the closeness to being a 2-design, the primarily used measure, fails at capturing this property. Hence, we look for alternative ways to characterize ansatzes by considering the local neighborhood of the model space, in particular, analyzing model distinguishability upon small perturbation of parameters. We derive an upper bound on their distinguishability, showcasing that QNNs with few parameters are hardly discriminable upon update. Our numerical experiments support our bounds and further indicate that there is a significant degree of variability, which stresses the need for warm-starting or clever initialization. Altogether, our work provides an ansatz-centric perspective on training dynamics and difficulties in QNNs, ultimately suggesting that iterative training of small quantum models may not be effective, which contrasts their initial motivation.


Architectures and random properties of symplectic quantum circuits

García-Martín, Diego, Braccia, Paolo, Cerezo, M.

arXiv.org Artificial Intelligence

Parametrized and random unitary (or orthogonal) $n$-qubit circuits play a central role in quantum information. As such, one could naturally assume that circuits implementing symplectic transformation would attract similar attention. However, this is not the case, as $\mathbb{SP}(d/2)$ -- the group of $d\times d$ unitary symplectic matrices -- has thus far been overlooked. In this work, we aim at starting to right this wrong. We begin by presenting a universal set of generators $\mathcal{G}$ for the symplectic algebra $i\mathfrak{sp}(d/2)$, consisting of one- and two-qubit Pauli operators acting on neighboring sites in a one-dimensional lattice. Here, we uncover two critical differences between such set, and equivalent ones for unitary and orthogonal circuits. Namely, we find that the operators in $\mathcal{G}$ cannot generate arbitrary local symplectic unitaries and that they are not translationally invariant. We then review the Schur-Weyl duality between the symplectic group and the Brauer algebra, and use tools from Weingarten calculus to prove that Pauli measurements at the output of Haar random symplectic circuits can converge to Gaussian processes. As a by-product, such analysis provides us with concentration bounds for Pauli measurements in circuits that form $t$-designs over $\mathbb{SP}(d/2)$. To finish, we present tensor-network tools to analyze shallow random symplectic circuits, and we use these to numerically show that computational-basis measurements anti-concentrate at logarithmic depth.


A Review of Barren Plateaus in Variational Quantum Computing

Larocca, Martin, Thanasilp, Supanut, Wang, Samson, Sharma, Kunal, Biamonte, Jacob, Coles, Patrick J., Cincio, Lukasz, McClean, Jarrod R., Holmes, Zoë, Cerezo, M.

arXiv.org Machine Learning

Variational quantum computing offers a flexible computational paradigm with applications in diverse areas. However, a key obstacle to realizing their potential is the Barren Plateau (BP) phenomenon. When a model exhibits a BP, its parameter optimization landscape becomes exponentially flat and featureless as the problem size increases. Importantly, all the moving pieces of an algorithm -- choices of ansatz, initial state, observable, loss function and hardware noise -- can lead to BPs when ill-suited. Due to the significant impact of BPs on trainability, researchers have dedicated considerable effort to develop theoretical and heuristic methods to understand and mitigate their effects. As a result, the study of BPs has become a thriving area of research, influencing and cross-fertilizing other fields such as quantum optimal control, tensor networks, and learning theory. This article provides a comprehensive review of the current understanding of the BP phenomenon.


Image Classification with Rotation-Invariant Variational Quantum Circuits

Sebastian, Paul San, Cañizo, Mikel, Orús, Román

arXiv.org Artificial Intelligence

Variational quantum algorithms are gaining attention as an early application of Noisy Intermediate-Scale Quantum (NISQ) devices. One of the main problems of variational methods lies in the phenomenon of Barren Plateaus, present in the optimization of variational parameters. Adding geometric inductive bias to the quantum models has been proposed as a potential solution to mitigate this problem, leading to a new field called Geometric Quantum Machine Learning. In this work, an equivariant architecture for variational quantum classifiers is introduced to create a label-invariant model for image classification with $C_4$ rotational label symmetry. The equivariant circuit is benchmarked against two different architectures, and it is experimentally observed that the geometric approach boosts the model's performance. Finally, a classical equivariant convolution operation is proposed to extend the quantum model for the processing of larger images, employing the resources available in NISQ devices.


Process mining for self-regulated learning assessment in e-learning

Cerezo, R., Bogarin, A., Esteban, M., Romero, C.

arXiv.org Artificial Intelligence

Content assessment has broadly improved in e-learning scenarios in recent decades. However, the eLearning process can give rise to a spatial and temporal gap that poses interesting challenges for assessment of not only content, but also students' acquisition of core skills such as self-regulated learning. Our objective was to discover students' self-regulated learning processes during an eLearning course by using Process Mining Techniques. We applied a new algorithm in the educational domain called Inductive Miner over the interaction traces from 101 university students in a course given over one semester on the Moodle 2.0 platform. Data was extracted from the platform's event logs with 21629 traces in order to discover students' self-regulation models that contribute to improving the instructional process. The Inductive Miner algorithm discovered optimal models in terms of fitness for both Pass and Fail students in this dataset, as well as models at a certain level of granularity that can be interpreted in educational terms, which are the most important achievement in model discovery. We can conclude that although students who passed did not follow the instructors' suggestions exactly, they did follow the logic of a successful self-regulated learning process as opposed to their failing classmates. The Process Mining models also allow us to examine which specific actions the students performed, and it was particularly interesting to see a high presence of actions related to forum-supported collaborative learning in the Pass group and an absence of those in the Fail group.


Improving prediction of students' performance in intelligent tutoring systems using attribute selection and ensembles of different multimodal data sources

Chango, W., Cerezo, R., Sanchez-Santillan, M., Azevedo, R., Romero, C.

arXiv.org Artificial Intelligence

The rapid growth of technology has meant that computer learning has increasingly integrated artificial intelligence techniques in order to develop more personalized educational systems. These systems are known as Intelligent Tutoring systems (ITS). MetaTutorES (Cerezo, Esteban, et al., 2020; Cerezo, Fernández, et al., 2020), a Spanish adaptation of MetaTutor (Azevedo, 2009) is an ITS designed to detect, model, trace, and foster students' self-regulated learning while learning various science topics (e.g., by modeling and scaffolding metacognitive monitoring, facilitating the use of effective learning strategies, and setting and coordinating relevant learning goals). The system uses human-like avatar technology that allows pedagogical agents to track student behavior and provide interaction on this basis. Tracking students' behavior is also a powerful research tool used to collect data on students' cognitive, metacognitive, affective, and motivational processes deployed during learning (Azevedo et al., 2011; Greene & Azevedo, 2010; Harley et al., 2014). These different data sources can be fused and mined to to reveal learning-related information such as student performance.


Geometric quantum machine learning of BQP$^A$ protocols and latent graph classifiers

Umeano, Chukwudubem, Elfving, Vincent E., Kyriienko, Oleksandr

arXiv.org Artificial Intelligence

Geometric quantum machine learning (GQML) aims to embed problem symmetries for learning efficient solving protocols. However, the question remains if (G)QML can be routinely used for constructing protocols with an exponential separation from classical analogs. In this Letter we consider Simon's problem for learning properties of Boolean functions, and show that this can be related to an unsupervised circuit classification problem. Using the workflow of geometric QML, we learn from first principles Simon's algorithm, thus discovering an example of BQP$^A\neq$BPP protocol with respect to some dataset (oracle $A$). Our key findings include the development of an equivariant feature map for embedding Boolean functions, based on twirling with respect to identified bitflip and permutational symmetries, and measurement based on invariant observables with a sampling advantage. The proposed workflow points to the importance of data embeddings and classical post-processing, while keeping the variational circuit as a trivial identity operator. Next, developing the intuition for the function learning, we visualize instances as directed computational hypergraphs, and observe that the GQML protocol can access their global topological features for distinguishing bijective and surjective functions. Finally, we discuss the prospects for learning other BQP$^A$-type protocols, and conjecture that this depends on the ability of simplifying embeddings-based oracles $A$ applied as a linear combination of unitaries.


Symmetry-invariant quantum machine learning force fields

Le, Isabel Nha Minh, Kiss, Oriel, Schuhmacher, Julian, Tavernelli, Ivano, Tacchino, Francesco

arXiv.org Artificial Intelligence

Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational quantum learning models to predict potential energy surfaces and atomic forces from ab initio training data. However, the trainability and scalability of such models are still limited, due to both theoretical and practical barriers. Inspired by recent developments in geometric classical and quantum machine learning, here we design quantum neural networks that explicitly incorporate, as a data-inspired prior, an extensive set of physically relevant symmetries. We find that our invariant quantum learning models outperform their more generic counterparts on individual molecules of growing complexity. Furthermore, we study a water dimer as a minimal example of a system with multiple components, showcasing the versatility of our proposed approach and opening the way towards larger simulations. Our results suggest that molecular force fields generation can significantly profit from leveraging the framework of geometric quantum machine learning, and that chemical systems represent, in fact, an interesting and rich playground for the development and application of advanced quantum machine learning tools.