Multi-Excitation Projective Simulation with a Many-Body Physics Inspired Inductive Bias

With the impressive progress of deep learning, applications relying on machine learning are increasingly being integrated into daily life. However, most deep learning models have an opaque, oracle-like nature making it difficult to interpret and understand their decisions. This problem led to the development of the field known as eXplainable Artificial Intelligence (XAI). One method in this field known as Projective Simulation (PS) models a chain-of-thought as a random walk of a particle on a graph with vertices that have concepts attached to them. While this description has various benefits, including the possibility of quantization, it cannot be naturally used to model thoughts that combine several concepts simultaneously. To overcome this limitation, we introduce Multi-Excitation Projective Simulation (mePS), a generalization that considers a chain-of-thought to be a random walk of several particles on a hypergraph. A definition for a dynamic hypergraph is put forward to describe the agent's training history along with applications to AI and hypergraph visualization. An inductive bias inspired by the remarkably successful few-body interaction models used in quantum many-body physics is formalized for our classical mePS framework and employed to tackle the exponential complexity associated with naive implementations of hypergraphs. We prove that our inductive bias reduces the complexity from exponential to polynomial, with the exponent representing the cutoff on how many particles can interact. We numerically apply our method to two toy environments and a more complex scenario modelling the diagnosis of a broken computer. These environments demonstrate the resource savings provided by an appropriate choice of inductive bias, as well as showcasing aspects of interpretability. A quantum model for mePS is also briefly outlined and some future directions for it are discussed.

Measurement-based quantum computation from Clifford quantum cellular automata

Measurement-based quantum computation (MBQC) is a paradigm for quantum computation where computation is driven by local measurements on a suitably entangled resource state. In this work we show that MBQC is related to a model of quantum computation based on Clifford quantum cellular automata (CQCA). Specifically, we show that certain MBQCs can be directly constructed from CQCAs which yields a simple and intuitive circuit model representation of MBQC in terms of quantum computation based on CQCA. We apply this description to construct various MBQC-based Ans\"atze for parameterized quantum circuits, demonstrating that the different Ans\"atze may lead to significantly different performances on different learning tasks. In this way, MBQC yields a family of Hardware-efficient Ans\"atze that may be adapted to specific problem settings and is particularly well suited for architectures with translationally invariant gates such as neutral atoms.

Quantum circuit synthesis with diffusion models

Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning models, specifically denoising diffusion models (DMs), to facilitate this transformation. Leveraging text-conditioning, we steer the model to produce desired quantum operations within gate-based quantum circuits. Notably, DMs allow to sidestep during training the exponential overhead inherent in the classical simulation of quantum dynamics -- a consistent bottleneck in preceding ML techniques. We demonstrate the model's capabilities across two tasks: entanglement generation and unitary compilation. The model excels at generating new circuits and supports typical DM extensions such as masking and editing to, for instance, align the circuit generation to the constraints of the targeted quantum device. Given their flexibility and generalization abilities, we envision DMs as pivotal in quantum circuit synthesis, enhancing both practical applications but also insights into theoretical quantum computation.

Variational measurement-based quantum computation for generative modeling

Measurement-based quantum computation (MBQC) offers a fundamentally unique paradigm to design quantum algorithms. Indeed, due to the inherent randomness of quantum measurements, the natural operations in MBQC are not deterministic and unitary, but are rather augmented with probabilistic byproducts. Yet, the main algorithmic use of MBQC so far has been to completely counteract this probabilistic nature in order to simulate unitary computations expressed in the circuit model. In this work, we propose designing MBQC algorithms that embrace this inherent randomness and treat the random byproducts in MBQC as a resource for computation. As a natural application where randomness can be beneficial, we consider generative modeling, a task in machine learning centered around generating complex probability distributions. To address this task, we propose a variational MBQC algorithm equipped with control parameters that allow to directly adjust the degree of randomness to be admitted in the computation. Our numerical findings indicate that this additional randomness can lead to significant gains in learning performance in certain generative modeling tasks. These results highlight the potential advantages in exploiting the inherent randomness of MBQC and motivate further research into MBQC-based algorithms.

Optimal foraging strategies can be learned and outperform Lévy walks

L\'evy walks and other theoretical models of optimal foraging have been successfully used to describe real-world scenarios, attracting attention in several fields such as economy, physics, ecology, and evolutionary biology. However, it remains unclear in most cases which strategies maximize foraging efficiency and whether such strategies can be learned by living organisms. To address these questions, we model foragers as reinforcement learning agents. We first prove theoretically that maximizing rewards in our reinforcement learning model is equivalent to optimizing foraging efficiency. We then show with numerical experiments that our agents learn foraging strategies which outperform the efficiency of known strategies such as L\'evy walks.

Reinforcement learning and decision making via single-photon quantum walks

Variational quantum algorithms represent a promising approach to quantum machine learning where classical neural networks are replaced by parametrized quantum circuits. Here, we present a variational approach to quantize projective simulation (PS), a reinforcement learning model aimed at interpretable artificial intelligence. Decision making in PS is modeled as a random walk on a graph describing the agent's memory. To implement the quantized model, we consider quantum walks of single photons in a lattice of tunable Mach-Zehnder interferometers. We propose variational algorithms tailored to reinforcement learning tasks, and we show, using an example from transfer learning, that the quantized PS learning model can outperform its classical counterpart. Finally, we discuss the role of quantum interference for training and decision making, paving the way for realizations of interpretable quantum learning agents.

Automated Gadget Discovery in Science

In recent years, reinforcement learning (RL) has become increasingly successful in its application to science and the process of scientific discovery in general. However, while RL algorithms learn to solve increasingly complex problems, interpreting the solutions they provide becomes ever more challenging. In this work, we gain insights into an RL agent's learned behavior through a post-hoc analysis based on sequence mining and clustering. Specifically, frequent and compact subroutines, used by the agent to solve a given task, are distilled as gadgets and then grouped by various metrics. This process of gadget discovery develops in three stages: First, we use an RL agent to generate data, then, we employ a mining algorithm to extract gadgets and finally, the obtained gadgets are grouped by a density-based clustering algorithm. We demonstrate our method by applying it to two quantum-inspired RL environments. First, we consider simulated quantum optics experiments for the design of high-dimensional multipartite entangled states where the algorithm finds gadgets that correspond to modern interferometer setups. Second, we consider a circuit-based quantum computing environment where the algorithm discovers various gadgets for quantum information processing, such as quantum teleportation. This approach for analyzing the policy of a learned agent is agent and environment agnostic and can yield interesting insights into any agent's policy.

Quantum machine learning beyond kernel methods

With noisy intermediate-scale quantum computers showing great promise for near-term applications, a number of machine learning algorithms based on parametrized quantum circuits have been suggested as possible means to achieve learning advantages. Yet, our understanding of how these quantum machine learning models compare, both to existing classical models and to each other, remains limited. A big step in this direction has been made by relating them to so-called kernel methods from classical machine learning. By building on this connection, previous works have shown that a systematic reformulation of many quantum machine learning models as kernel models was guaranteed to improve their training performance. In this work, we first extend the applicability of this result to a more general family of parametrized quantum circuit models called data re-uploading circuits. Secondly, we show, through simple constructions and numerical simulations, that models defined and trained variationally can exhibit a critically better generalization performance than their kernel formulations, which is the true figure of merit of machine learning tasks. Our results constitute another step towards a more comprehensive theory of quantum machine learning models next to kernel formulations.

Variational quantum policies for reinforcement learning

Variational quantum circuits have recently gained popularity as quantum machine learning models. While considerable effort has been invested to train them in supervised and unsupervised learning settings, relatively little attention has been given to their potential use in reinforcement learning. In this work, we leverage the understanding of quantum policy gradient algorithms in a number of ways. First, we investigate how to construct and train reinforcement learning policies based on variational quantum circuits. We propose several designs for quantum policies, provide their learning algorithms, and test their performance on classical benchmarking environments. Second, we show the existence of task environments with a provable separation in performance between quantum learning agents and any polynomial-time classical learner, conditioned on the widely-believed classical hardness of the discrete logarithm problem. We also consider more natural settings, in which we show an empirical quantum advantage of our quantum policies over standard neural-network policies. Our results constitute a first step towards establishing a practical near-term quantum advantage in a reinforcement learning setting. Additionally, we believe that some of our design choices for variational quantum policies may also be beneficial to other models based on variational quantum circuits, such as quantum classifiers and quantum regression models.