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Due to the linearity of quantum mechanics, it remains a challenge to design quantum generative machine learning models that embed non-linear activations into the evolution of the statevector. However, some of the most successful classical generative models, such as those based on neural networks, involve highly non-linear dynamics for quality training. In this paper, we explore the effect of these dynamics in quantum generative modeling by introducing a model that adds non-linear activations via a neural network structure onto the standard Born Machine framework - the Quantum Neuron Born Machine (QNBM). To achieve this, we utilize a previously introduced Quantum Neuron subroutine, which is a repeat-until-success circuit with mid-circuit measurements and classical control. After introducing the QNBM, we investigate how its performance depends on network size, by training a 3-layer QNBM with 4 output neurons and various input and hidden layer sizes. We then compare our non-linear QNBM to the linear Quantum Circuit Born Machine (QCBM). We allocate similar time and memory resources to each model, such that the only major difference is the qubit overhead required by the QNBM. With gradient-based training, we show that while both models can easily learn a trivial uniform probability distribution, on a more challenging class of distributions, the QNBM achieves an almost 3x smaller error rate than a QCBM with a similar number of tunable parameters. We therefore provide evidence that suggests that non-linearity is a useful resource in quantum generative models, and we put forth the QNBM as a new model with good generative performance and potential for quantum advantage.

End-to-end generative methods are considered a more promising solution for image restoration in physics-based vision compared with the traditional deconstructive methods based on handcrafted composition models. However, existing generative methods still have plenty of room for improvement in quantitative performance. More crucially, these methods are considered black boxes due to weak interpretability and there is rarely a theory trying to explain their mechanism and learning process. In this study, we try to re-interpret these generative methods for image restoration tasks using information theory. Different from conventional understanding, we analyzed the information flow of these methods and identified three sources of information (extracted high-level information, retained low-level information, and external information that is absent from the source inputs) are involved and optimized respectively in generating the restoration results. We further derived their learning behaviors, optimization objectives, and the corresponding information boundaries by extending the information bottleneck principle. Based on this theoretic framework, we found that many existing generative methods tend to be direct applications of the general models designed for conventional generation tasks, which may suffer from problems including over-invested abstraction processes, inherent details loss, and vanishing gradients or imbalance in training. We analyzed these issues with both intuitive and theoretical explanations and proved them with empirical evidence respectively. Ultimately, we proposed general solutions or ideas to address the above issue and validated these approaches with performance boosts on six datasets of three different image restoration tasks.

There has been increasing interest on summary-free versions of approximate Bayesian computation (ABC), which replace distances among summaries with discrepancies between the whole empirical distributions of the observed data and the synthetic samples generated under the proposed parameter values. The success of these solutions has motivated theoretical studies on the concentration properties of the induced posteriors. However, current results are often specific to the selected discrepancy, and mostly rely on existence arguments which are typically difficult to verify and provide bounds not readily interpretable. We address these issues via a novel bridge between the concept of Rademacher complexity and recent concentration theory for discrepancy-based ABC. This perspective yields a unified and interpretable theoretical framework that relates the concentration of ABC posteriors to the behavior of the Rademacher complexity associated to the chosen discrepancy in the broad class of integral probability semimetrics. This class extends summary-based ABC, and includes the widely-implemented Wasserstein distance and maximum mean discrepancy (MMD), which admit interpretable bounds for the corresponding Rademacher complexity along with constructive sufficient conditions for the existence of such bounds. Therefore, this unique bridge crucially contributes towards an improved understanding of ABC, as further clarified through a focus of this theory on the MMD setting and via an illustrative simulation.

Via operator theoretic methods, we formalize the concentration phenomenon for a given observable `$r$' of a discrete time Markov chain with `$\mu_{\pi}$' as invariant ergodic measure, possibly having support on an unbounded state space. The main contribution of this paper is circumventing tedious probabilistic methods with a study of a composition of the Markov transition operator $P$ followed by a multiplication operator defined by $e^{r}$. It turns out that even if the observable/ reward function is unbounded, but for some for some $q>2$, $\|e^{r}\|_{q \rightarrow 2} \propto \exp\big(\mu_{\pi}(r) +\frac{2q}{q-2}\big) $ and $P$ is hyperbounded with norm control $\|P\|_{2 \rightarrow q }< e^{\frac{1}{2}[\frac{1}{2}-\frac{1}{q}]}$, sharp non-asymptotic concentration bounds follow. \emph{Transport-entropy} inequality ensures the aforementioned upper bound on multiplication operator for all $q>2$. The role of \emph{reversibility} in concentration phenomenon is demystified. These results are particularly useful for the reinforcement learning and controls communities as they allow for concentration inequalities w.r.t standard unbounded obersvables/reward functions where exact knowledge of the system is not available, let alone the reversibility of stationary measure.

We study the problem of designing worst-case to average-case reductions for quantum algorithms. For all linear problems, we provide an explicit and efficient transformation of quantum algorithms that are only correct on a small (even sub-constant) fraction of their inputs into ones that are correct on all inputs. This stands in contrast to the classical setting, where such results are only known for a small number of specific problems or restricted computational models. En route, we obtain a tight $\Omega(n^2)$ lower bound on the average-case quantum query complexity of the Matrix-Vector Multiplication problem. Our techniques strengthen and generalise the recently introduced additive combinatorics framework for classical worst-case to average-case reductions (STOC 2022) to the quantum setting. We rely on quantum singular value transformations to construct quantum algorithms for linear verification in superposition and learning Bogolyubov subspaces from noisy quantum oracles. We use these tools to prove a quantum local correction lemma, which lies at the heart of our reductions, based on a noise-robust probabilistic generalisation of Bogolyubov's lemma from additive combinatorics.

Machine Learning models capable of handling the large datasets collected in the financial world can often become black boxes expensive to run. The quantum computing paradigm suggests new optimization techniques, that combined with classical algorithms, may deliver competitive, faster and more interpretable models. In this work we propose a quantum-enhanced machine learning solution for the prediction of credit rating downgrades, also known as fallen-angels forecasting in the financial risk management field. We implement this solution on a neutral atom Quantum Processing Unit with up to 60 qubits on a real-life dataset. We report competitive performances against the state-of-the-art Random Forest benchmark whilst our model achieves better interpretability and comparable training times. We examine how to improve performance in the near-term validating our ideas with Tensor Networks-based numerical simulations.

Amongst Markov chain Monte Carlo algorithms, Hamiltonian Monte Carlo (HMC) is often the algorithm of choice for complex, high-dimensional target distributions; however, its efficiency is notoriously sensitive to the choice of the integration-time tuning parameter, $T$. When integrating both forward and backward in time using the same leapfrog integration step as HMC, the set of local maxima in the potential along a path, or apogees, is the same whatever point (position and momentum) along the path is chosen to initialise the integration. We present the Apogee to Apogee Path Sampler (AAPS), which utilises this invariance to create a simple yet generic methodology for constructing a path, proposing a point from it and accepting or rejecting that proposal so as to target the intended distribution. We demonstrate empirically that AAPS has a similar efficiency to HMC but is much more robust to the setting of its equivalent tuning parameter, the number of apogees that the path crosses.

The paper proposes a quantum algorithm for the traveling salesman problem (TSP) based on the Grover Adaptive Search (GAS), which can be successfully executed on IBM's Qiskit library. Under the GAS framework, there are at least two fundamental difficulties that limit the application of quantum algorithms for combinatorial optimization problems. One difficulty is that the solutions given by the quantum algorithms may not be feasible. The other difficulty is that the number of qubits of current quantum computers is still very limited, and it cannot meet the minimum requirements for the number of qubits required by the algorithm. In response to the above difficulties, we designed and improved the Hamiltonian Cycle Detection (HCD) oracle based on mathematical theorems. It can automatically eliminate infeasible solutions during the execution of the algorithm. On the other hand, we design an anchor register strategy to save the usage of qubits. The strategy fully considers the reversibility requirement of quantum computing, overcoming the difficulty that the used qubits cannot be simply overwritten or released. As a result, we successfully implemented the numerical solution to TSP on IBM's Qiskit. For the seven-node TSP, we only need 31 qubits, and the success rate in obtaining the optimal solution is 86.71%.

Graph neural networks (GNNs) are a type of deep learning models that learning over graphs, and have been successfully applied in many domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to large graphs. As a remedy, distributed computing becomes a promising solution of training large-scale GNNs, since it is able to provide abundant computing resources. However, the dependency of graph structure increases the difficulty of achieving high-efficiency distributed GNN training, which suffers from the massive communication and workload imbalance. In recent years, many efforts have been made on distributed GNN training, and an array of training algorithms and systems have been proposed. Yet, there is a lack of systematic review on the optimization techniques from graph processing to distributed execution. In this survey, we analyze three major challenges in distributed GNN training that are massive feature communication, the loss of model accuracy and workload imbalance. Then we introduce a new taxonomy for the optimization techniques in distributed GNN training that address the above challenges. The new taxonomy classifies existing techniques into four categories that are GNN data partition, GNN batch generation, GNN execution model, and GNN communication protocol.We carefully discuss the techniques in each category. In the end, we summarize existing distributed GNN systems for multi-GPUs, GPU-clusters and CPU-clusters, respectively, and give a discussion about the future direction on scalable GNNs.

The demand for artificial intelligence has grown significantly over the last decade and this growth has been fueled by advances in machine learning techniques and the ability to leverage hardware acceleration. However, in order to increase the quality of predictions and render machine learning solutions feasible for more complex applications, a substantial amount of training data is required. Although small machine learning models can be trained with modest amounts of data, the input for training larger models such as neural networks grows exponentially with the number of parameters. Since the demand for processing training data has outpaced the increase in computation power of computing machinery, there is a need for distributing the machine learning workload across multiple machines, and turning the centralized into a distributed system. These distributed systems present new challenges, first and foremost the efficient parallelization of the training process and the creation of a coherent model. This article provides an extensive overview of the current state-of-the-art in the field by outlining the challenges and opportunities of distributed machine learning over conventional (centralized) machine learning, discussing the techniques used for distributed machine learning, and providing an overview of the systems that are available.