The development of variational quantum algorithms is crucial for the application of NISQ computers. Such algorithms require short quantum circuits, which are more amenable to implementation on near-term hardware, and many such methods have been developed. One of particular interest is the so-called the variational diagonalization method, which constitutes an important algorithmic subroutine, and it can be used directly for working with data encoded in quantum states. In particular, it can be applied to discern the features of quantum states, such as entanglement properties of a system, or in quantum machine learning algorithms. In this work, we tackle the problem of designing a very shallow quantum circuit, required in the quantum state diagonalization task, by utilizing reinforcement learning. To achieve this, we utilize a novel encoding method that can be used to tackle the problem of circuit depth optimization using a reinforcement learning approach. We demonstrate that our approach provides a solid approximation to the diagonalization task while using a small number of gates. The circuits proposed by the reinforcement learning methods are shallower than the standard variational quantum state diagonalization algorithm, and thus can be used in situations where the depth of quantum circuits is limited by the hardware capabilities.
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This paper addresses the problem of providing robust estimators under a functional logistic regression model. Logistic regression is a popular tool in classification problems with two populations. As in functional linear regression, regularization tools are needed to compute estimators for the functional slope. The traditional methods are based on dimension reduction or penalization combined with maximum likelihood or quasi--likelihood techniques and for that reason, they may be affected by misclassified points especially if they are associated to functional covariates with atypical behaviour. The proposal given in this paper adapts some of the best practices used when the covariates are finite--dimensional to provide reliable estimations. Under regularity conditions, consistency of the resulting estimators and rates of convergence for the predictions are derived. A numerical study illustrates the finite sample performance of the proposed method and reveals its stability under different contamination scenarios. A real data example is also presented.
The identification of primal variables and adjoint variables is usually done via indices in operator overloading algorithmic differentiation tools. One approach is a linear management scheme, which is easy to implement and supports memory optimization for copy statements. An alternative approach performs a reuse of indices, which requires more implementation effort but results in much smaller adjoint vectors. Therefore, the vector mode of algorithmic differentiation scales better with the reuse management scheme. In this paper, we present a novel approach that reuses the indices and allows the copy optimization, thus combining the advantages of the two aforementioned schemes. The new approach is compared to the known approaches on a simple synthetic test case and a real-world example using the computational fluid dynamics solver SU2.
Making inference with spatial extremal dependence models can be computationally burdensome since they involve intractable and/or censored likelihoods. Building on recent advances in likelihood-free inference with neural Bayes estimators, that is, neural networks that approximate Bayes estimators, we develop highly efficient estimators for censored peaks-over-threshold models that encode censoring information in the neural network architecture. Our new method provides a paradigm shift that challenges traditional censored likelihood-based inference methods for spatial extremal dependence models. Our simulation studies highlight significant gains in both computational and statistical efficiency, relative to competing likelihood-based approaches, when applying our novel estimators to make inference with popular extremal dependence models, such as max-stable, $r$-Pareto, and random scale mixture process models. We also illustrate that it is possible to train a single neural Bayes estimator for a general censoring level, precluding the need to retrain the network when the censoring level is changed. We illustrate the efficacy of our estimators by making fast inference on hundreds-of-thousands of high-dimensional spatial extremal dependence models to assess extreme particulate matter 2.5 microns or less in diameter (PM2.5) concentration over the whole of Saudi Arabia.
Many models of learning in teams assume that team members can share solutions or learn concurrently. However, these assumptions break down in multidisciplinary teams where team members often complete distinct, interrelated pieces of larger tasks. Such contexts make it difficult for individuals to separate the performance effects of their own actions from the actions of interacting neighbors. In this work, we show that individuals can overcome this challenge by learning from network neighbors through mediating artifacts (like collective performance assessments). When neighbors' actions influence collective outcomes, teams with different networks perform relatively similarly to one another. However, varying a team's network can affect performance on tasks that weight individuals' contributions by network properties. Consequently, when individuals innovate (through ``exploring'' searches), dense networks hurt performance slightly by increasing uncertainty. In contrast, dense networks moderately help performance when individuals refine their work (through ``exploiting'' searches) by efficiently finding local optima. We also find that decentralization improves team performance across a battery of 34 tasks. Our results offer design principles for multidisciplinary teams within which other forms of learning prove more difficult.
We describe a new dependent-rounding algorithmic framework for bipartite graphs. Given a fractional assignment $y$ of values to edges of graph $G = (U \cup V, E)$, the algorithms return an integral solution $Y$ such that each right-node $v \in V$ has at most one neighboring edge $f$ with $Y_f = 1$, and where the variables $Y_e$ also satisfy broad nonpositive-correlation properties. In particular, for any edges $e_1, e_2$ sharing a left-node $u \in U$, the variables $Y_{e_1}, Y_{e_2}$ have strong negative-correlation properties, i.e. the expectation of $Y_{e_1} Y_{e_2}$ is significantly below $y_{e_1} y_{e_2}$. This algorithm is a refinement of a dependent-rounding algorithm of Im \& Shadloo (2020) based on simulation of Poisson processes. Our algorithm allows greater flexibility, in particular, it allows ``irregular'' fractional assignments, and it gives more refined bounds on the negative correlation. Dependent rounding schemes with negative correlation properties have been used for approximation algorithms for job-scheduling on unrelated machines to minimize weighted completion times (Bansal, Srinivasan, & Svensson (2021), Im & Shadloo (2020), Im & Li (2023)). Using our new dependent-rounding algorithm, among other improvements, we obtain a $1.407$-approximation for this problem. This significantly improves over the prior $1.45$-approximation ratio of Im & Li (2023).
Solving high-dimensional random parametric PDEs poses a challenging computational problem. It is well-known that numerical methods can greatly benefit from adaptive refinement algorithms, in particular when functional approximations in polynomials are computed as in stochastic Galerkin and stochastic collocations methods. This work investigates a residual based adaptive algorithm used to approximate the solution of the stationary diffusion equation with lognormal coefficients. It is known that the refinement procedure is reliable, but the theoretical convergence of the scheme for this class of unbounded coefficients remains a challenging open question. This paper advances the theoretical results by providing a quasi-error reduction results for the adaptive solution of the lognormal stationary diffusion problem. A computational example supports the theoretical statement.
Bayesian linear mixed-effects models and Bayesian ANOVA are increasingly being used in the cognitive sciences to perform null hypothesis tests, where a null hypothesis that an effect is zero is compared with an alternative hypothesis that the effect exists and is different from zero. While software tools for Bayes factor null hypothesis tests are easily accessible, how to specify the data and the model correctly is often not clear. In Bayesian approaches, many authors use data aggregation at the by-subject level and estimate Bayes factors on aggregated data. Here, we use simulation-based calibration for model inference applied to several example experimental designs to demonstrate that, as with frequentist analysis, such null hypothesis tests on aggregated data can be problematic in Bayesian analysis. Specifically, when random slope variances differ (i.e., violated sphericity assumption), Bayes factors are too conservative for contrasts where the variance is small and they are too liberal for contrasts where the variance is large. Running Bayesian ANOVA on aggregated data can - if the sphericity assumption is violated - likewise lead to biased Bayes factor results. Moreover, Bayes factors for by-subject aggregated data are biased (too liberal) when random item slope variance is present but ignored in the analysis. These problems can be circumvented or reduced by running Bayesian linear mixed-effects models on non-aggregated data such as on individual trials, and by explicitly modeling the full random effects structure. Reproducible code is available from \url{//osf.io/mjf47/}.
The work of Kalman and Bucy has established a duality between filtering and optimal estimation in the context of time-continuous linear systems. This duality has recently been extended to time-continuous nonlinear systems in terms of an optimization problem constrained by a backward stochastic partial differential equation. Here we revisit this problem from the perspective of appropriate forward-backward stochastic differential equations. This approach sheds new light on the estimation problem and provides a unifying perspective. It is also demonstrated that certain formulations of the estimation problem lead to deterministic formulations similar to the linear Gaussian case as originally investigated by Kalman and Bucy. Finally, optimal control of partially observed diffusion processes is discussed as an application of the proposed estimators.
We present the full approximation scheme constraint decomposition (FASCD) multilevel method for solving variational inequalities (VIs). FASCD is a common extension of both the full approximation scheme (FAS) multigrid technique for nonlinear partial differential equations, due to A.~Brandt, and the constraint decomposition (CD) method introduced by X.-C.~Tai for VIs arising in optimization. We extend the CD idea by exploiting the telescoping nature of certain function space subset decompositions arising from multilevel mesh hierarchies. When a reduced-space (active set) Newton method is applied as a smoother, with work proportional to the number of unknowns on a given mesh level, FASCD V-cycles exhibit nearly mesh-independent convergence rates, and full multigrid cycles are optimal solvers. The example problems include differential operators which are symmetric linear, nonsymmetric linear, and nonlinear, in unilateral and bilateral VI problems.
We address the computational efficiency in solving the A-optimal Bayesian design of experiments problems for which the observational map is based on partial differential equations and, consequently, is computationally expensive to evaluate. A-optimality is a widely used and easy-to-interpret criterion for Bayesian experimental design. This criterion seeks the optimal experimental design by minimizing the expected conditional variance, which is also known as the expected posterior variance. This study presents a novel likelihood-free approach to the A-optimal experimental design that does not require sampling or integrating the Bayesian posterior distribution. The expected conditional variance is obtained via the variance of the conditional expectation using the law of total variance, and we take advantage of the orthogonal projection property to approximate the conditional expectation. We derive an asymptotic error estimation for the proposed estimator of the expected conditional variance and show that the intractability of the posterior distribution does not affect the performance of our approach. We use an artificial neural network (ANN) to approximate the nonlinear conditional expectation in the implementation of our method. We then extend our approach for dealing with the case that the domain of experimental design parameters is continuous by integrating the training process of the ANN into minimizing the expected conditional variance. Through numerical experiments, we demonstrate that our method greatly reduces the number of observation model evaluations compared with widely used importance sampling-based approaches. This reduction is crucial, considering the high computational cost of the observational models. Code is available at //github.com/vinh-tr-hoang/DOEviaPACE.
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