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To realize reliable quantum software, techniques to automatically ensure the quantum software's correctness have recently been investigated. However, they primarily focus on fixed quantum circuits rather than the procedure of building quantum circuits. Despite being a common approach, the correctness of building circuits using different parameters following the same procedure is not guaranteed. To this end, we propose a design-by-contract framework for quantum software. Our framework provides a python-embedded language to write assertions on the input and output states of all quantum circuits built by certain procedures. Additionally, it provides a method to write assertions about the statistical processing of measurement results to ensure the procedure's correctness for obtaining the final result. These assertions are automatically checked using a quantum computer simulator. For evaluation, we implemented our framework and wrote assertions for some widely used quantum algorithms. Consequently, we found that our framework has sufficient expressive power to verify the whole procedure of quantum software.

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This paper focuses on the algebraic theory underlying the study of the complexity and the algorithms for the Constraint Satisfaction Problem (CSP). We unify, simplify, and extend parts of the three approaches that have been developed to study the CSP over finite templates - absorption theory that was used to characterize CSPs solvable by local consistency methods (JACM'14), and Bulatov's and Zhuk's theories that were used for two independent proofs of the CSP Dichotomy Theorem (FOCS'17, JACM'20). As the first contribution we present an elementary theorem about primitive positive definability and use it to obtain the starting points of Bulatov's and Zhuk's proofs as corollaries. As the second contribution we propose and initiate a systematic study of minimal Taylor algebras. This class of algebras is broad enough so that it suffices to verify the CSP Dichotomy Theorem on this class only, but still is unusually well behaved. In particular, many concepts from the three approaches coincide in the class, which is in striking contrast with the general setting. We believe that the theory initiated in this paper will eventually result in a simple and more natural proof of the Dichotomy Theorem that employs a simpler and more efficient algorithm, and will help in attacking complexity questions in other CSP-related problems.

In a context of malicious software detection, machine learning (ML) is widely used to generalize to new malware. However, it has been demonstrated that ML models can be fooled or may have generalization problems on malware that has never been seen. We investigate the possible benefits of quantum algorithms for classification tasks. We implement two models of Quantum Machine Learning algorithms, and we compare them to classical models for the classification of a dataset composed of malicious and benign executable files. We try to optimize our algorithms based on methods found in the literature, and analyze our results in an exploratory way, to identify the most interesting directions to explore for the future.

Modeling complex spatiotemporal dynamical systems, such as the reaction-diffusion processes, have largely relied on partial differential equations (PDEs). However, due to insufficient prior knowledge on some under-explored dynamical systems, such as those in chemistry, biology, geology, physics and ecology, and the lack of explicit PDE formulation used for describing the nonlinear process of the system variables, to predict the evolution of such a system remains a challenging task. Unifying measurement data and our limited prior physics knowledge via machine learning provides us with a new path to solving this problem. Existing physics-informed learning paradigms impose physics laws through soft penalty constraints, whose solution quality largely depends on a trial-and-error proper setting of hyperparameters. Since the core of such methods is still rooted in black-box neural networks, the resulting model generally lacks interpretability and suffers from critical issues of extrapolation and generalization. To this end, we propose a deep learning framework that forcibly encodes given physics structure to facilitate the learning of the spatiotemporal dynamics in sparse data regimes. We show how the proposed approach can be applied to a variety of problems regarding the PDE system, including forward and inverse analysis, data-driven modeling, and discovery of PDEs. The resultant learning paradigm that encodes physics shows high accuracy, robustness, interpretability and generalizability demonstrated via extensive numerical experiments.

Classical algorithms are often not effective for solving nonconvex optimization problems where local minima are separated by high barriers. In this paper, we explore possible quantum speedups for nonconvex optimization by leveraging the global effect of quantum tunneling. Specifically, we introduce a quantum algorithm termed the quantum tunneling walk (QTW) and apply it to nonconvex problems where local minima are approximately global minima. We show that QTW achieves quantum speedup over classical stochastic gradient descents (SGD) when the barriers between different local minima are high but thin and the minima are flat. Based on this observation, we construct a specific double-well landscape, where classical algorithms cannot efficiently hit one target well knowing the other well but QTW can when given proper initial states near the known well. Finally, we corroborate our findings with numerical experiments.

This paper puts forth a new metric, dubbed channel cycle time, to measure the short-term fairness of communication networks. Channel cycle time characterizes the average duration between two successful transmissions of a user, during which all other users have successfully accessed the channel at least once. Compared with existing short-term fairness measures, channel cycle time provides a comprehensive picture of the transient behavior of communication networks, and is a single real value that is easy to compute. To demonstrate the effectiveness of our new approach, we analytically characterize the channel cycle time of slotted Aloha and CSMA/CA. It is shown that CSMA/CA is a short-term fairer protocol than slotted Aloha. Channel cycle time can serve as a promising design principle for future communication networks, placing greater emphasis on optimizing short-term behaviors like fairness, delay, and jitter.

Developing AI tools that preserve fairness is of critical importance, specifically in high-stakes applications such as those in healthcare. However, health AI models' overall prediction performance is often prioritized over the possible biases such models could have. In this study, we show one possible approach to mitigate bias concerns by having healthcare institutions collaborate through a federated learning paradigm (FL; which is a popular choice in healthcare settings). While FL methods with an emphasis on fairness have been previously proposed, their underlying model and local implementation techniques, as well as their possible applications to the healthcare domain remain widely underinvestigated. Therefore, we propose a comprehensive FL approach with adversarial debiasing and a fair aggregation method, suitable to various fairness metrics, in the healthcare domain where electronic health records are used. Not only our approach explicitly mitigates bias as part of the optimization process, but an FL-based paradigm would also implicitly help with addressing data imbalance and increasing the data size, offering a practical solution for healthcare applications. We empirically demonstrate our method's superior performance on multiple experiments simulating large-scale real-world scenarios and compare it to several baselines. Our method has achieved promising fairness performance with the lowest impact on overall discrimination performance (accuracy).

Clustering multidimensional points is a fundamental data mining task, with applications in many fields, such as astronomy, neuroscience, bioinformatics, and computer vision. The goal of clustering algorithms is to group similar objects together. Density-based clustering is a clustering approach that defines clusters as dense regions of points. It has the advantage of being able to detect clusters of arbitrary shapes, rendering it useful in many applications. In this paper, we propose fast parallel algorithms for Density Peaks Clustering (DPC), a popular version of density-based clustering. Existing exact DPC algorithms suffer from low parallelism both in theory and in practice, which limits their application to large-scale data sets. Our most performant algorithm, which is based on priority search kd-trees, achieves $O(\log n\log\log n)$ span (parallel time complexity) for a data set of $n$ points. Our algorithm is also work-efficient, achieving a work complexity matching the best existing sequential exact DPC algorithm. In addition, we present another DPC algorithm based on a Fenwick tree that makes fewer assumptions for its average-case complexity to hold. We provide optimized implementations of our algorithms and evaluate their performance via extensive experiments. On a 30-core machine with two-way hyperthreading, we find that our best algorithm achieves a 10.8--13169x speedup over the previous best parallel exact DPC algorithm. Compared to the state-of-the-art parallel approximate DPC algorithm, our best algorithm achieves a 1.5--4206x speedup, while being exact.

We study the problem of crowdsourced PAC learning of threshold functions. This is a challenging problem and only recently have query-efficient algorithms been established under the assumption that a noticeable fraction of the workers are perfect. In this work, we investigate a more challenging case where the majority may behave adversarially and the rest behave as the Massart noise - a significant generalization of the perfectness assumption. We show that under the {semi-verified model} of Charikar et al. (2017), where we have (limited) access to a trusted oracle who always returns correct annotations, it is possible to PAC learn the underlying hypothesis class with a manageable amount of label queries. Moreover, we show that the labeling cost can be drastically mitigated via the more easily obtained comparison queries. Orthogonal to recent developments in semi-verified or list-decodable learning that crucially rely on data distributional assumptions, our PAC guarantee holds by exploring the wisdom of the crowd.

The quantum perceptron, the variational circuit, and the Grover algorithm have been proposed as promising components for quantum machine learning. This paper presents a new quantum perceptron that combines the quantum variational circuit and the Grover algorithm. However, this does not guarantee that this quantum variational perceptron with Grover's algorithm (QVPG) will have any advantage over its quantum variational (QVP) and classical counterparts. Here, we examine the performance of QVP and QVP-G by computing their loss function and analyzing their accuracy on the classification task, then comparing these two quantum models to the classical perceptron (CP). The results show that our two quantum models are more efficient than CP, and our novel suggested model QVP-G outperforms the QVP, demonstrating that the Grover can be applied to the classification task and even makes the model more accurate, besides the unstructured search problems.

A growing line of work shows how learned predictions can be used to break through worst-case barriers to improve the running time of an algorithm. However, incorporating predictions into data structures with strong theoretical guarantees remains underdeveloped. This paper takes a step in this direction by showing that predictions can be leveraged in the fundamental online list labeling problem. In the problem, n items arrive over time and must be stored in sorted order in an array of size Theta(n). The array slot of an element is its label and the goal is to maintain sorted order while minimizing the total number of elements moved (i.e., relabeled). We design a new list labeling data structure and bound its performance in two models. In the worst-case learning-augmented model, we give guarantees in terms of the error in the predictions. Our data structure provides strong guarantees: it is optimal for any prediction error and guarantees the best-known worst-case bound even when the predictions are entirely erroneous. We also consider a stochastic error model and bound the performance in terms of the expectation and variance of the error. Finally, the theoretical results are demonstrated empirically. In particular, we show that our data structure has strong performance on real temporal data sets where predictions are constructed from elements that arrived in the past, as is typically done in a practical use case.

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