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Simulated Moving Bed (SMB) chromatography is a well-known technique for the resolution of several high-value-added compounds. Parameters identification and model topology definition are arduous when one is dealing with complex systems such as a Simulated Moving Bed unit. Moreover, the large number of experiments necessary might be an expansive-long process. Hence, this work proposes a novel methodology for parameter estimation, screening the most suitable topology of the models sink-source (defined by the adsorption isotherm equation) and defining the minimum number of experiments necessary to identify the model. Therefore, a nested loop optimization problem is proposed with three levels considering the three main goals of the work: parameters estimation; topology screening by isotherm definition; minimum number of experiments necessary to yield a precise model. The proposed methodology emulated a real scenario by introducing noise in the data and using a Software-in-the-Loop (SIL) approach. Data reconciliation and uncertainty evaluation add robustness to the parameter estimation adding precision and reliability to the model. The methodology is validated considering experimental data from literature apart from the samples applied for parameter estimation, following a cross-validation. The results corroborate that it is possible to carry out trustworthy parameter estimation directly from an SMB unit with minimal system knowledge.

Recently, high dimensional vector auto-regressive models (VAR), have attracted a lot of interest, due to novel applications in the health, engineering and social sciences. The presence of temporal dependence poses additional challenges to the theory of penalized estimation techniques widely used in the analysis of their iid counterparts. However, recent work (e.g., [Basu and Michailidis, 2015, Kock and Callot, 2015]) has established optimal consistency of $\ell_1$-LASSO regularized estimates applied to models involving high dimensional stable, Gaussian processes. The only price paid for temporal dependence is an extra multiplicative factor that equals 1 for independent and identically distributed (iid) data. Further, [Wong et al., 2020] extended these results to heavy tailed VARs that exhibit "$\beta$-mixing" dependence, but the rates rates are sub-optimal, while the extra factor is intractable. This paper improves these results in two important directions: (i) We establish optimal consistency rates and corresponding finite sample bounds for the underlying model parameters that match those for iid data, modulo a price for temporal dependence, that is easy to interpret and equals 1 for iid data. (ii) We incorporate more general penalties in estimation (which are not decomposable unlike the $\ell_1$ norm) to induce general sparsity patterns. The key technical tool employed is a novel, easy-to-use concentration bound for heavy tailed linear processes, that do not rely on "mixing" notions and give tighter bounds.

We construct quantum algorithms to compute the solution and/or physical observables of nonlinear ordinary differential equations (ODEs) and nonlinear Hamilton-Jacobi equations (HJE) via linear representations or exact mappings between nonlinear ODEs/HJE and linear partial differential equations (the Liouville equation and the Koopman-von Neumann equation). The connection between the linear representations and the original nonlinear system is established through the Dirac delta function or the level set mechanism. We compare the quantum linear systems algorithms based methods and the quantum simulation methods arising from different numerical approximations, including the finite difference discretisations and the Fourier spectral discretisations for the two different linear representations, with the result showing that the quantum simulation methods usually give the best performance in time complexity. We also propose the Schr\"odinger framework to solve the Liouville equation for the HJE, since it can be recast as the semiclassical limit of the Wigner transform of the Schr\"odinger equation. Comparsion between the Schr\"odinger and the Liouville framework will also be made.

As a tool for estimating networks in high dimensions, graphical models are commonly applied to calcium imaging data to estimate functional neuronal connectivity, i.e. relationships between the activities of neurons. However, in many calcium imaging data sets, the full population of neurons is not recorded simultaneously, but instead in partially overlapping blocks. This leads to the Graph Quilting problem, as first introduced by (Vinci et.al. 2019), in which the goal is to infer the structure of the full graph when only subsets of features are jointly observed. In this paper, we study a novel two-step approach to Graph Quilting, which first imputes the complete covariance matrix using low-rank covariance completion techniques before estimating the graph structure. We introduce three approaches to solve this problem: block singular value decomposition, nuclear norm penalization, and non-convex low-rank factorization. While prior works have studied low-rank matrix completion, we address the challenges brought by the block-wise missingness and are the first to investigate the problem in the context of graph learning. We discuss theoretical properties of the two-step procedure, showing graph selection consistency of one proposed approach by proving novel L infinity-norm error bounds for matrix completion with block-missingness. We then investigate the empirical performance of the proposed methods on simulations and on real-world data examples, through which we show the efficacy of these methods for estimating functional connectivity from calcium imaging data.

Modeling and control of high-dimensional, nonlinear robotic systems remains a challenging task. While various model- and learning-based approaches have been proposed to address these challenges, they broadly lack generalizability to different control tasks and rarely preserve the structure of the dynamics. In this work, we propose a new, data-driven approach for extracting low-dimensional models from data using Spectral Submanifold Reduction (SSMR). In contrast to other data-driven methods which fit dynamical models to training trajectories, we identify the dynamics on generic, low-dimensional attractors embedded in the full phase space of the robotic system. This allows us to obtain computationally-tractable models for control which preserve the system's dominant dynamics and better track trajectories radically different from the training data. We demonstrate the superior performance and generalizability of SSMR in dynamic trajectory tracking tasks vis-a-vis the state of the art, including Koopman operator-based approaches.

As a special infinite-order vector autoregressive (VAR) model, the vector autoregressive moving average (VARMA) model can capture much richer temporal patterns than the widely used finite-order VAR model. However, its practicality has long been hindered by its non-identifiability, computational intractability, and relative difficulty of interpretation. This paper introduces a novel infinite-order VAR model which, with only a little sacrifice of generality, inherits the essential temporal patterns of the VARMA model but avoids all of the above drawbacks. As another attractive feature, the temporal and cross-sectional dependence structures of this model can be interpreted separately, since they are characterized by different sets of parameters. For high-dimensional time series, this separation motivates us to impose sparsity on the parameters determining the cross-sectional dependence. As a result, greater statistical efficiency and interpretability can be achieved, while no loss of temporal information is incurred by the imposed sparsity. We introduce an $\ell_1$-regularized estimator for the proposed model and derive the corresponding nonasymptotic error bounds. An efficient block coordinate descent algorithm and a consistent model order selection method are developed. The merit of the proposed approach is supported by simulation studies and a real-world macroeconomic data analysis.

Group-based cryptography is a relatively young family in post-quantum cryptography. In this paper we give the first dedicated security analysis of a central problem in group-based cryptography: the so-called Semidirect Product Key Exchange (SDPKE). We present a subexponential quantum algorithm for solving SDPKE. To do this we reduce SDPKE to the Abelian Hidden Shift Problem (for which there are known quantum subexponential algorithms). We stress that this does not per se constitute a break of SDPKE; rather, the purpose of the paper is to provide a connection to known problems.

The Cahn--Hilliard equations are a versatile model for describing the evolution of complex morphologies. In this paper we present a computational pipeline for the numerical solution of a ternary phase-field model for describing the nanomorphology of donor--acceptor semiconductor blends used in organic photovoltaic devices. The model consists of two coupled fourth-order partial differential equations that are discretized using a finite element approach. In order to solve the resulting large-scale linear systems efficiently, we propose a preconditioning strategy that is based on efficient approximations of the Schur-complement of a saddle point system. We show that this approach performs robustly with respect to variations in the discretization parameters. Finally, we outline that the computed morphologies can be used for the computation of charge generation, recombination, and transport in organic solar cells.

Emerging quantum algorithms for problems such as element distinctness, subset sum, and closest pair demonstrate computational advantages by relying on abstract data structures. Practically realizing such an algorithm as a program for a quantum computer requires an efficient implementation of the data structure whose operations correspond to unitary operators that manipulate quantum superpositions of data. To correctly operate in superposition, an implementation must satisfy three properties -- reversibility, history independence, and bounded-time execution. Standard implementations, such as the representation of an abstract set as a hash table, fail these properties, calling for tools to develop specialized implementations. In this work, we present Core Tower, the first language for quantum programming with random-access memory. Core Tower enables the developer to implement data structures as pointer-based, linked data. It features a reversible semantics enabling every valid program to be translated to a unitary quantum circuit. We present Boson, the first memory allocator that supports reversible, history-independent, and constant-time dynamic memory allocation in quantum superposition. We also present Tower, a language for quantum programming with recursively defined data structures. Tower features a type system that bounds all recursion using classical parameters as is necessary for a program to execute on a quantum computer. Using Tower, we implement Ground, the first quantum library of data structures, including lists, stacks, queues, strings, and sets. We provide the first executable implementation of sets that satisfies all three mandated properties of reversibility, history independence, and bounded-time execution.

Nano quadcopters are small, agile, and cheap platforms that are well suited for deployment in narrow, cluttered environments. Due to their limited payload, these vehicles are highly constrained in processing power, rendering conventional vision-based methods for safe and autonomous navigation incompatible. Recent machine learning developments promise high-performance perception at low latency, while dedicated edge computing hardware has the potential to augment the processing capabilities of these limited devices. In this work, we present NanoFlowNet, a lightweight convolutional neural network for real-time dense optical flow estimation on edge computing hardware. We draw inspiration from recent advances in semantic segmentation for the design of this network. Additionally, we guide the learning of optical flow using motion boundary ground truth data, which improves performance with no impact on latency. Validation results on the MPI-Sintel dataset show the high performance of the proposed network given its constrained architecture. Additionally, we successfully demonstrate the capabilities of NanoFlowNet by deploying it on the ultra-low power GAP8 microprocessor and by applying it to vision-based obstacle avoidance on board a Bitcraze Crazyflie, a 34 g nano quadcopter.