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Classical simulations are essential for the development of quantum computing, and their exponential scaling can easily fill any modern supercomputer. In this paper we consider the performance and energy consumption of large Quantum Fourier Transform (QFT) simulations run on ARCHER2, the UK's National Supercomputing Service, with QuEST toolkit. We take into account CPU clock frequency and node memory size, and use cache-blocking to rearrange the circuit, which minimises communications. We find that using 2.00GHz instead of 2.25GHz can save as much as 25% of energy at 5% increase in runtime. Higher node memory also has the potential to be more efficient, and cost the user fewer CUs, but at higher runtime penalty. Finally, we present a cache-blocking QFT circuit, which halves the required communication. All our optimisations combined result in 40% faster simulations and 35% energy savings in 44 qubit simulations on 4,096 ARCHER2 nodes.

Throughout the analytical revolution that has occurred in the NBA, the development of specific metrics and formulas has given teams, coaches, and players a new way to see the game. However - the question arises - how can we verify any metrics? One method would simply be eyeball approximation (trying out many different gameplans) and/or trial and error - an estimation-based and costly approach. Another approach is to try to model already existing metrics with a unique set of features using machine learning techniques. The key to this approach is that with these features that are selected, we can try to gauge the effectiveness of these features combined, rather than using individual analysis in simple metric evaluation. If we have an accurate model, it can particularly help us determine the specifics of gameplan execution. In this paper, the statistic ORTG (Offensive Rating, developed by Dean Oliver) was found to have a correlation with different NBA playtypes using both a linear regression model and a neural network regression model, although ultimately, a neural network worked slightly better than linear regression. Using the accuracy of the models as a justification, the next step was to optimize the output of the model with test examples, which would demonstrate the combination of features to best achieve a highly functioning offense.

We consider the problem of interactive decision making, encompassing structured bandits and reinforcement learning with general function approximation. Recently, Foster et al. (2021) introduced the Decision-Estimation Coefficient, a measure of statistical complexity that lower bounds the optimal regret for interactive decision making, as well as a meta-algorithm, Estimation-to-Decisions, which achieves upper bounds in terms of the same quantity. Estimation-to-Decisions is a reduction, which lifts algorithms for (supervised) online estimation into algorithms for decision making. In this paper, we show that by combining Estimation-to-Decisions with a specialized form of optimistic estimation introduced by Zhang (2022), it is possible to obtain guarantees that improve upon those of Foster et al. (2021) by accommodating more lenient notions of estimation error. We use this approach to derive regret bounds for model-free reinforcement learning with value function approximation, and give structural results showing when it can and cannot help more generally.

Quantum computing promises potential for science and industry by solving certain computationally complex problems faster than classical computers. Quantum computing systems evolved from monolithic systems towards modular architectures comprising multiple quantum processing units (QPUs) coupled to classical computing nodes (HPC). With the increasing scale, middleware systems that facilitate the efficient coupling of quantum-classical computing are becoming critical. Through an in-depth analysis of quantum applications, integration patterns and systems, we identified a gap in understanding Quantum-HPC middleware systems. We present a conceptual middleware to facilitate reasoning about quantum-classical integration and serve as the basis for a future middleware system. An essential contribution of this paper lies in leveraging well-established high-performance computing abstractions for managing workloads, tasks, and resources to integrate quantum computing into HPC systems seamlessly.

We introduce a novel monotone discretization method for addressing obstacle problems involving the integral fractional Laplacian with homogeneous Dirichlet boundary conditions over bounded Lipschitz domains. This problem is prevalent in mathematical finance, particle systems, and elastic theory. By leveraging insights from the successful monotone discretization of the fractional Laplacian, we establish uniform boundedness, solution existence, and uniqueness for the numerical solutions of the fractional obstacle problem. We employ a policy iteration approach for efficient solution of discrete nonlinear problems and prove its finite convergence. Our improved policy iteration, adapted to solution regularity, demonstrates superior performance by modifying discretization across different regions. Numerical examples underscore the method's efficacy.

We propose a framework that can incrementally expand the explanatory temporal logic rule set to explain the occurrence of temporal events. Leveraging the temporal point process modeling and learning framework, the rule content and weights will be gradually optimized until the likelihood of the observational event sequences is optimal. The proposed algorithm alternates between a master problem, where the current rule set weights are updated, and a subproblem, where a new rule is searched and included to best increase the likelihood. The formulated master problem is convex and relatively easy to solve using continuous optimization, whereas the subproblem requires searching the huge combinatorial rule predicate and relationship space. To tackle this challenge, we propose a neural search policy to learn to generate the new rule content as a sequence of actions. The policy parameters will be trained end-to-end using the reinforcement learning framework, where the reward signals can be efficiently queried by evaluating the subproblem objective. The trained policy can be used to generate new rules in a controllable way. We evaluate our methods on both synthetic and real healthcare datasets, obtaining promising results.

A community reveals the features and connections of its members that are different from those in other communities in a network. Detecting communities is of great significance in network analysis. Despite the classical spectral clustering and statistical inference methods, we notice a significant development of deep learning techniques for community detection in recent years with their advantages in handling high dimensional network data. Hence, a comprehensive overview of community detection's latest progress through deep learning is timely to both academics and practitioners. This survey devises and proposes a new taxonomy covering different categories of the state-of-the-art methods, including deep learning-based models upon deep neural networks, deep nonnegative matrix factorization and deep sparse filtering. The main category, i.e., deep neural networks, is further divided into convolutional networks, graph attention networks, generative adversarial networks and autoencoders. The survey also summarizes the popular benchmark data sets, model evaluation metrics, and open-source implementations to address experimentation settings. We then discuss the practical applications of community detection in various domains and point to implementation scenarios. Finally, we outline future directions by suggesting challenging topics in this fast-growing deep learning field.

Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.

We study how to generate captions that are not only accurate in describing an image but also discriminative across different images. The problem is both fundamental and interesting, as most machine-generated captions, despite phenomenal research progresses in the past several years, are expressed in a very monotonic and featureless format. While such captions are normally accurate, they often lack important characteristics in human languages - distinctiveness for each caption and diversity for different images. To address this problem, we propose a novel conditional generative adversarial network for generating diverse captions across images. Instead of estimating the quality of a caption solely on one image, the proposed comparative adversarial learning framework better assesses the quality of captions by comparing a set of captions within the image-caption joint space. By contrasting with human-written captions and image-mismatched captions, the caption generator effectively exploits the inherent characteristics of human languages, and generates more discriminative captions. We show that our proposed network is capable of producing accurate and diverse captions across images.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.