We lay the foundations of a new theory for algorithms and computational complexity by parameterizing the instances of a computational problem as a moduli scheme. Considering the geometry of the scheme associated to 3-SAT, we separate P and NP.
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We employ kernel-based approaches that use samples from a probability distribution to approximate a Kolmogorov operator on a manifold. The self-tuning variable-bandwidth kernel method [Berry & Harlim, Appl. Comput. Harmon. Anal., 40(1):68--96, 2016] computes a large, sparse matrix that approximates the differential operator. Here, we use the eigendecomposition of the discretization to (i) invert the operator, solving a differential equation, and (ii) represent gradient vector fields on the manifold. These methods only require samples from the underlying distribution and, therefore, can be applied in high dimensions or on geometrically complex manifolds when spatial discretizations are not available. We also employ an efficient $k$-$d$ tree algorithm to compute the sparse kernel matrix, which is a computational bottleneck.
We present a sheaf-theoretic construction of shape space -- the space of all shapes. We do this by describing a homotopy sheaf on the poset category of constructible sets, where each set is mapped to its Persistent Homology Transform (PHT). Recent results that build on fundamental work of Schapira have shown that this transform is injective, thus making the PHT a good summary object for each shape. Our homotopy sheaf result allows us to "glue" PHTs of different shapes together to build up the PHT of a larger shape. In the case where our shape is a polyhedron we prove a generalized nerve lemma for the PHT. Finally, by re-examining the sampling result of Smale-Niyogi-Weinberger, we show that we can reliably approximate the PHT of a manifold by a polyhedron up to arbitrary precision.
This study clarifies the proper criteria to assess the modeling capacity of a general tensor model. The work analyze the problem based on the study of tensor ranks, which is not a well-defined quantity for higher order tensors. To process, the author introduces the separability issue to discuss the Cannikin's law of tensor modeling. Interestingly, a connection between entanglement studied in information theory and tensor analysis is established, shedding new light on the theoretical understanding for modeling capacity problems.
Low-rank matrix estimation under heavy-tailed noise is challenging, both computationally and statistically. Convex approaches have been proven statistically optimal but suffer from high computational costs, especially since robust loss functions are usually non-smooth. More recently, computationally fast non-convex approaches via sub-gradient descent are proposed, which, unfortunately, fail to deliver a statistically consistent estimator even under sub-Gaussian noise. In this paper, we introduce a novel Riemannian sub-gradient (RsGrad) algorithm which is not only computationally efficient with linear convergence but also is statistically optimal, be the noise Gaussian or heavy-tailed. Convergence theory is established for a general framework and specific applications to absolute loss, Huber loss, and quantile loss are investigated. Compared with existing non-convex methods, ours reveals a surprising phenomenon of dual-phase convergence. In phase one, RsGrad behaves as in a typical non-smooth optimization that requires gradually decaying stepsizes. However, phase one only delivers a statistically sub-optimal estimator which is already observed in the existing literature. Interestingly, during phase two, RsGrad converges linearly as if minimizing a smooth and strongly convex objective function and thus a constant stepsize suffices. Underlying the phase-two convergence is the smoothing effect of random noise to the non-smooth robust losses in an area close but not too close to the truth. Lastly, RsGrad is applicable for low-rank tensor estimation under heavy-tailed noise where a statistically optimal rate is attainable with the same phenomenon of dual-phase convergence, and a novel shrinkage-based second-order moment method is guaranteed to deliver a warm initialization. Numerical simulations confirm our theoretical discovery and showcase the superiority of RsGrad over prior methods.
Designers reportedly struggle with design optimization tasks where they are asked to find a combination of design parameters that maximizes a given set of objectives. In HCI, design optimization problems are often exceedingly complex, involving multiple objectives and expensive empirical evaluations. Model-based computational design algorithms assist designers by generating design examples during design, however they assume a model of the interaction domain. Black box methods for assistance, on the other hand, can work with any design problem. However, virtually all empirical studies of this human-in-the-loop approach have been carried out by either researchers or end-users. The question stands out if such methods can help designers in realistic tasks. In this paper, we study Bayesian optimization as an algorithmic method to guide the design optimization process. It operates by proposing to a designer which design candidate to try next, given previous observations. We report observations from a comparative study with 40 novice designers who were tasked to optimize a complex 3D touch interaction technique. The optimizer helped designers explore larger proportions of the design space and arrive at a better solution, however they reported lower agency and expressiveness. Designers guided by an optimizer reported lower mental effort but also felt less creative and less in charge of the progress. We conclude that human-in-the-loop optimization can support novice designers in cases where agency is not critical.
The minimum energy path (MEP) describes the mechanism of reaction, and the energy barrier along the path can be used to calculate the reaction rate in thermal systems. The nudged elastic band (NEB) method is one of the most commonly used schemes to compute MEPs numerically. It approximates an MEP by a discrete set of configuration images, where the discretization size determines both computational cost and accuracy of the simulations. In this paper, we consider a discrete MEP to be a stationary state of the NEB method and prove an optimal convergence rate of the discrete MEP with respect to the number of images. Numerical simulations for the transitions of some several proto-typical model systems are performed to support the theory.
One of the most important problems in system identification and statistics is how to estimate the unknown parameters of a given model. Optimization methods and specialized procedures, such as Empirical Minimization (EM) can be used in case the likelihood function can be computed. For situations where one can only simulate from a parametric model, but the likelihood is difficult or impossible to evaluate, a technique known as the Two-Stage (TS) Approach can be applied to obtain reliable parametric estimates. Unfortunately, there is currently a lack of theoretical justification for TS. In this paper, we propose a statistical decision-theoretical derivation of TS, which leads to Bayesian and Minimax estimators. We also show how to apply the TS approach on models for independent and identically distributed samples, by computing quantiles of the data as a first step, and using a linear function as the second stage. The proposed method is illustrated via numerical simulations.
We study the robust matrix completion problem for the low-rank Hankel matrix, which detects the sparse corruptions caused by extreme outliers while we try to recover the original Hankel matrix from the partial observation. In this paper, we explore the convenient Hankel structure and propose a novel non-convex algorithm, coined Hankel Structured Gradient Descent (HSGD), for large-scale robust Hankel matrix completion problems. HSGD is highly computing- and sample-efficient compared to the state-of-the-arts. The recovery guarantee with a linear convergence rate has been established for HSGD under some mild assumptions. The empirical advantages of HSGD are verified on both synthetic datasets and real-world nuclear magnetic resonance signals.
White noise is a fundamental and fairly well understood stochastic process that conforms the conceptual basis for many other processes, as well as for the modeling of time series. Here we push a fresh perspective toward white noise that, grounded on combinatorial considerations, contributes to give new interesting insights both for modelling and theoretical purposes. To this aim, we incorporate the ordinal pattern analysis approach which allows us to abstract a time series as a sequence of patterns and their associated permutations, and introduce a simple functional over permutations that partitions them into classes encoding their level of asymmetry. We compute the exact probability mass function (p.m.f.) of this functional over the symmetric group of degree $n$, thus providing the description for the case of an infinite white noise realization. This p.m.f. can be conveniently approximated by a continuous probability density from an exponential family, the Gaussian, hence providing natural sufficient statistics that render a convenient and simple statistical analysis through ordinal patterns. Such analysis is exemplified on experimental data for the spatial increments from tracks of gold nanoparticles in 3D diffusion.
We recall some of the history of the information-theoretic approach to deriving core results in probability theory and indicate parts of the recent resurgence of interest in this area with current progress along several interesting directions. Then we give a new information-theoretic proof of a finite version of de Finetti's classical representation theorem for finite-valued random variables. We derive an upper bound on the relative entropy between the distribution of the first $k$ in a sequence of $n$ exchangeable random variables, and an appropriate mixture over product distributions. The mixing measure is characterised as the law of the empirical measure of the original sequence, and de Finetti's result is recovered as a corollary. The proof is nicely motivated by the Gibbs conditioning principle in connection with statistical mechanics, and it follows along an appealing sequence of steps. The technical estimates required for these steps are obtained via the use of a collection of combinatorial tools known within information theory as `the method of types.'
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