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This paper addresses the following question: given a sample of i.i.d. random variables with finite variance, can one construct an estimator of the unknown mean that performs nearly as well as if the data were normally distributed? One of the most popular examples achieving this goal is the median of means estimator. However, it is inefficient in a sense that the constants in the resulting bounds are suboptimal. We show that a permutation-invariant modification of the median of means estimator admits deviation guarantees that are sharp up to $1+o(1)$ factor if the underlying distribution possesses more than $\frac{3+\sqrt{5}}{2}\approx 2.62$ moments and is absolutely continuous with respect to the Lebesgue measure. This result yields potential improvements for a variety of algorithms that rely on the median of means estimator as a building block. At the core of our argument is are the new deviation inequalities for the U-statistics of order that is allowed to grow with the sample size, a result that could be of independent interest.

In this note, we prove that the following function space with absolutely convergent Fourier series \[ F_d:=\left\{ f\in L^2([0,1)^d)\:\middle| \: \|f\|:=\sum_{\boldsymbol{k}\in \mathbb{Z}^d}|\hat{f}(\boldsymbol{k})| \max\left(1,\min_{j\in \mathrm{supp}(\boldsymbol{k})}\log |k_j|\right) <\infty \right\}\] with $\hat{f}(\boldsymbol{k})$ being the $\boldsymbol{k}$-th Fourier coefficient of $f$ and $\mathrm{supp}(\boldsymbol{k}):=\{j\in \{1,\ldots,d\}\mid k_j\neq 0\}$ is polynomially tractable for multivariate integration in the worst-case setting. Here polynomial tractability means that the minimum number of function evaluations required to make the worst-case error less than or equal to a tolerance $\varepsilon$ grows only polynomially with respect to $\varepsilon^{-1}$ and $d$. It is important to remark that the function space $F_d$ is unweighted, that is, all variables contribute equally to the norm of functions. Our tractability result is in contrast to those for most of the unweighted integration problems studied in the literature, in which polynomial tractability does not hold and the problem suffers from the curse of dimensionality. Our proof is constructive in the sense that we provide an explicit quasi-Monte Carlo rule that attains a desired worst-case error bound.

Many standard linear algebra problems can be solved on a quantum computer by using recently developed quantum linear algebra algorithms that make use of block encodings and quantum eigenvalue/singular value transformations. A block encoding embeds a properly scaled matrix of interest A in a larger unitary transformation U that can be decomposed into a product of simpler unitaries and implemented efficiently on a quantum computer. Although quantum algorithms can potentially achieve exponential speedup in solving linear algebra problems compared to the best classical algorithm, such gain in efficiency ultimately hinges on our ability to construct an efficient quantum circuit for the block encoding of A, which is difficult in general, and not trivial even for well-structured sparse matrices. In this paper, we give a few examples on how efficient quantum circuits can be explicitly constructed for some well-structured sparse matrices, and discuss a few strategies used in these constructions. We also provide implementations of these quantum circuits in MATLAB.

We propose an algorithm to solve a class of bi-level optimization problems using only first-order information. In particular, we focus on a class where the inner minimization has unique solutions. Unlike contemporary algorithms, our algorithm does not require the use of an oracle estimator for the gradient of the bi-level objective or an approximate solver for the inner problem. Instead, we alternate between descending on the inner problem using na\"ive optimization methods and descending on the upper-level objective function using specially constructed gradient estimators. We provide non-asymptotic convergence rates to stationary points of the bi-level objective in the absence of convexity of the closed-loop function and further show asymptotic convergence to only local minima of the bi-level problem. The approach is inspired by ideas from the literature on two-timescale stochastic approximation algorithms.

This paper studies the fundamental limits of reinforcement learning (RL) in the challenging \emph{partially observable} setting. While it is well-established that learning in Partially Observable Markov Decision Processes (POMDPs) requires exponentially many samples in the worst case, a surge of recent work shows that polynomial sample complexities are achievable under the \emph{revealing condition} -- A natural condition that requires the observables to reveal some information about the unobserved latent states. However, the fundamental limits for learning in revealing POMDPs are much less understood, with existing lower bounds being rather preliminary and having substantial gaps from the current best upper bounds. We establish strong PAC and regret lower bounds for learning in revealing POMDPs. Our lower bounds scale polynomially in all relevant problem parameters in a multiplicative fashion, and achieve significantly smaller gaps against the current best upper bounds, providing a solid starting point for future studies. In particular, for \emph{multi-step} revealing POMDPs, we show that (1) the latent state-space dependence is at least $\Omega(S^{1.5})$ in the PAC sample complexity, which is notably harder than the $\widetilde{\Theta}(S)$ scaling for fully-observable MDPs; (2) Any polynomial sublinear regret is at least $\Omega(T^{2/3})$, suggesting its fundamental difference from the \emph{single-step} case where $\widetilde{O}(\sqrt{T})$ regret is achievable. Technically, our hard instance construction adapts techniques in \emph{distribution testing}, which is new to the RL literature and may be of independent interest.

Feature selection is a technique in statistical prediction modeling that identifies features in a record with a strong statistical connection to the target variable. Excluding features with a weak statistical connection to the target variable in training not only drops the dimension of the data, which decreases the time complexity of the algorithm, it also decreases noise within the data which assists in avoiding overfitting. In all, feature selection assists in training a robust statistical model that performs well and is stable. Given the lack of scalability in classical computation, current techniques only consider the predictive power of the feature and not redundancy between the features themselves. Recent advancements in feature selection that leverages quantum annealing (QA) gives a scalable technique that aims to maximize the predictive power of the features while minimizing redundancy. As a consequence, it is expected that this algorithm would assist in the bias/variance trade-off yielding better features for training a statistical model. This paper tests this intuition against classical methods by utilizing open-source data sets and evaluate the efficacy of each trained statistical model well-known prediction algorithms. The numerical results display an advantage utilizing the features selected from the algorithm that leveraged QA.

A Deep Neural Network (DNN) is a composite function of vector-valued functions, and in order to train a DNN, it is necessary to calculate the gradient of the loss function with respect to all parameters. This calculation can be a non-trivial task because the loss function of a DNN is a composition of several nonlinear functions, each with numerous parameters. The Backpropagation (BP) algorithm leverages the composite structure of the DNN to efficiently compute the gradient. As a result, the number of layers in the network does not significantly impact the complexity of the calculation. The objective of this paper is to express the gradient of the loss function in terms of a matrix multiplication using the Jacobian operator. This can be achieved by considering the total derivative of each layer with respect to its parameters and expressing it as a Jacobian matrix. The gradient can then be represented as the matrix product of these Jacobian matrices. This approach is valid because the chain rule can be applied to a composition of vector-valued functions, and the use of Jacobian matrices allows for the incorporation of multiple inputs and outputs. By providing concise mathematical justifications, the results can be made understandable and useful to a broad audience from various disciplines.

The Lov\'{a}sz Local Lemma (LLL) is a keystone principle in probability theory, guaranteeing the existence of configurations which avoid a collection $\mathcal B$ of "bad" events which are mostly independent and have low probability. In its simplest "symmetric" form, it asserts that whenever a bad-event has probability $p$ and affects at most $d$ bad-events, and $e p d < 1$, then a configuration avoiding all $\mathcal B$ exists. A seminal algorithm of Moser & Tardos (2010) gives nearly-automatic randomized algorithms for most constructions based on the LLL. However, deterministic algorithms have lagged behind. We address three specific shortcomings of the prior deterministic algorithms. First, our algorithm applies to the LLL criterion of Shearer (1985); this is more powerful than alternate LLL criteria and also removes a number of nuisance parameters and leads to cleaner and more legible bounds. Second, we provide parallel algorithms with much greater flexibility in the functional form of of the bad-events. Third, we provide a derandomized version of the MT-distribution, that is, the distribution of the variables at the termination of the MT algorithm. We show applications to non-repetitive vertex coloring, independent transversals, strong coloring, and other problems. These give deterministic algorithms which essentially match the best previous randomized sequential and parallel algorithms.

In this paper, we build on using the class of f-divergence induced coherent risk measures for portfolio optimization and derive its necessary optimality conditions formulated in CAPM format. We have derived a new f-Beta similar to the Standard Betas and previous works in Drawdown Betas. The f-Beta evaluates portfolio performance under an optimally perturbed market probability measure and this family of Beta metrics gives various degrees of flexibility and interpretability. We conducted numerical experiments using DOW 30 stocks against a chosen market portfolio as the optimal portfolio to demonstrate the new perspectives provided by Hellinger-Beta as compared with Standard Beta and Drawdown Betas, based on choosing square Hellinger distance to be the particular choice of f-divergence function in the general f-divergence induced risk measures and f-Betas. We calculated Hellinger-Beta metrics based on deviation measures and further extended this approach to calculate Hellinger-Betas based on drawdown measures, resulting in another new metric which we termed Hellinger-Drawdown Beta. We compared the resulting Hellinger-Beta values under various choices of the risk aversion parameter to study their sensitivity to increasing stress levels.

Computational chemistry has become an important tool to predict and understand molecular properties and reactions. Even though recent years have seen a significant growth in new algorithms and computational methods that speed up quantum chemical calculations, the bottleneck for trajectory-based methods to study photoinduced processes is still the huge number of electronic structure calculations. In this work, we present an innovative solution, in which the amount of electronic structure calculations is drastically reduced, by employing machine learning algorithms and methods borrowed from the realm of artificial intelligence. However, applying these algorithms effectively requires finding optimal hyperparameters, which remains a challenge itself. Here we present an automated user-friendly framework, HOAX, to perform the hyperparameter optimization for neural networks, which bypasses the need for a lengthy manual process. The neural network generated potential energy surfaces (PESs) reduces the computational costs compared to the ab initio-based PESs. We perform a comparative investigation on the performance of different hyperparameter optimiziation algorithms, namely grid search, simulated annealing, genetic algorithm, and bayesian optimizer in finding the optimal hyperparameters necessary for constructing the well-performing neural network in order to fit the PESs of small organic molecules. Our results show that this automated toolkit not only facilitate a straightforward way to perform the hyperparameter optimization but also the resulting neural networks-based generated PESs are in reasonable agreement with the ab initio-based PESs.