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The quantum thermal average plays a central role in describing the thermodynamic properties of a quantum system. From the computational perspective, the quantum thermal average can be computed by the path integral molecular dynamics (PIMD), but the knowledge on the quantitative convergence of such approximations is lacking. We propose an alternative computational framework named the continuous loop path integral molecular dynamics (CL-PIMD), which replaces the ring polymer beads by a continuous loop in the spirit of the Feynman--Kac formula. By truncating the number of normal modes to a finite integer $N\in\mathbb N$, we quantify the discrepancy of the statistical average of the truncated CL-PIMD from the true quantum thermal average, and prove that the truncated CL-PIMD has uniform-in-$N$ geometric ergodicity. These results show that the CL-PIMD provides an accurate approximation to the quantum thermal average, and serves as a mathematical justification of the PIMD methodology.

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讓 iOS 8 和 OS X Yosemite 無縫切換的一個新特性。 > Apple products have always been designed to work together beautifully. But now they may really surprise you. With iOS 8 and OS X Yosemite, you’ll be able to do more wonderful things than ever before.

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Soft pneumatic actuators are used to steer soft growing "vine" robots while being flexible enough to undergo the tip eversion required for growth. In this study, we compared the performance of three types of pneumatic actuators in terms of their ability to perform eversion, quasi-static bending, dynamic motion, and force output: the pouch motor, the cylindrical pneumatic artificial muscle (cPAM), and the fabric pneumatic artificial muscle (fPAM). The pouch motor is advantageous for prototyping due to its simple manufacturing process. The cPAM exhibits superior bending behavior and produces the highest forces, while the fPAM actuates fastest and everts at the lowest pressure. We evaluated a range of dimensions for each actuator type. Larger actuators can produce more significant deformations and forces, but smaller actuators inflate faster and can evert at a lower pressure. Because vine robots are lightweight, the effect of gravity on the functionality of different actuators is minimal. We developed a new analytical model that predicts the pressure-to-bending behavior of vine robot actuators. Using the actuator results, we designed and demonstrated a 4.8 m long vine robot equipped with highly maneuverable 60x60 mm cPAMs in a three-dimensional obstacle course. The vine robot was able to move around sharp turns, travel through a passage smaller than its diameter, and lift itself against gravity.

Sparse linear iterative solvers are essential for many large-scale simulations. Much of the runtime of these solvers is often spent in the implicit evaluation of matrix polynomials via a sequence of sparse matrix-vector products. A variety of approaches has been proposed to make these polynomial evaluations explicit (i.e., fix the coefficients), e.g., polynomial preconditioners or s-step Krylov methods. Furthermore, it is nowadays a popular practice to approximate triangular solves by a matrix polynomial to increase parallelism. Such algorithms allow to evaluate the polynomial using a so-called matrix power kernel (MPK), which computes the product between a power of a sparse matrix A and a dense vector x, or a related operation. Recently we have shown that using the level-based formulation of sparse matrix-vector multiplications in the Recursive Algebraic Coloring Engine (RACE) framework we can perform temporal cache blocking of MPK to increase its performance. In this work, we demonstrate the application of this cache-blocking optimization in sparse iterative solvers. By integrating the RACE library into the Trilinos framework, we demonstrate the speedups achieved in preconditioned) s-step GMRES, polynomial preconditioners, and algebraic multigrid (AMG). For MPK-dominated algorithms we achieve speedups of up to 3x on modern multi-core compute nodes. For algorithms with moderate contributions from subspace orthogonalization, the gain reduces significantly, which is often caused by the insufficient quality of the orthogonalization routines. Finally, we showcase the application of RACE-accelerated solvers in a real-world wind turbine simulation (Nalu-Wind) and highlight the new opportunities and perspectives opened up by RACE as a cache-blocking technique for MPK-enabled sparse solvers.

Due to the complexity of modern computer systems, novel and unexpected behaviors frequently occur. Such deviations are either normal occurrences, such as software updates and new user activities, or abnormalities, such as misconfigurations, latency issues, intrusions, and software bugs. Regardless, novel behaviors are of great interest to developers, and there is a genuine need for efficient and effective methods to detect them. Nowadays, researchers consider system calls to be the most fine-grained and accurate source of information to investigate the behavior of computer systems. Accordingly, this paper introduces a novelty detection methodology that relies on a probability distribution over sequences of system calls, which can be seen as a language model. Language models estimate the likelihood of sequences, and since novelties deviate from previously observed behaviors by definition, they would be unlikely under the model. Following the success of neural networks for language models, three architectures are evaluated in this work: the widespread LSTM, the state-of-the-art Transformer, and the lower-complexity Longformer. However, large neural networks typically require an enormous amount of data to be trained effectively, and to the best of our knowledge, no massive modern datasets of kernel traces are publicly available. This paper addresses this limitation by introducing a new open-source dataset of kernel traces comprising over 2 million web requests with seven distinct behaviors. The proposed methodology requires minimal expert hand-crafting and achieves an F-score and AuROC greater than 95% on most novelties while being data- and task-agnostic. The source code and trained models are publicly available on GitHub while the datasets are available on Zenodo.

The reconstruction of electrical excitation patterns through the unobserved depth of the tissue is essential to realizing the potential of computational models in cardiac medicine. We have utilized experimental optical-mapping recordings of cardiac electrical excitation on the epicardial and endocardial surfaces of a canine ventricle as observations directing a local ensemble transform Kalman Filter (LETKF) data assimilation scheme. We demonstrate that the inclusion of explicit information about the stimulation protocol can marginally improve the confidence of the ensemble reconstruction and the reliability of the assimilation over time. Likewise, we consider the efficacy of stochastic modeling additions to the assimilation scheme in the context of experimentally derived observation sets. Approximation error is addressed at both the observation and modeling stages, through the uncertainty of observations and the specification of the model used in the assimilation ensemble. We find that perturbative modifications to the observations have marginal to deleterious effects on the accuracy and robustness of the state reconstruction. Further, we find that incorporating additional information from the observations into the model itself (in the case of stimulus and stochastic currents) has a marginal improvement on the reconstruction accuracy over a fully autonomous model, while complicating the model itself and thus introducing potential for new types of model error. That the inclusion of explicit modeling information has negligible to negative effects on the reconstruction implies the need for new avenues for optimization of data assimilation schemes applied to cardiac electrical excitation.

Honeypots play a crucial role in implementing various cyber deception techniques as they possess the capability to divert attackers away from valuable assets. Careful strategic placement of honeypots in networks should consider not only network aspects but also attackers' preferences. The allocation of honeypots in tactical networks under network mobility is of great interest. To achieve this objective, we present a game-theoretic approach that generates optimal honeypot allocation strategies within an attack/defense scenario. Our proposed approach takes into consideration the changes in network connectivity. In particular, we introduce a two-player dynamic game model that explicitly incorporates the future state evolution resulting from changes in network connectivity. The defender's objective is twofold: to maximize the likelihood of the attacker hitting a honeypot and to minimize the cost associated with deception and reconfiguration due to changes in network topology. We present an iterative algorithm to find Nash equilibrium strategies and analyze the scalability of the algorithm. Finally, we validate our approach and present numerical results based on simulations, demonstrating that our game model successfully enhances network security. Additionally, we have proposed additional enhancements to improve the scalability of the proposed approach.

There have been recent advances in the analysis and visualization of 3D symmetric tensor fields, with a focus on the robust extraction of tensor field topology. However, topological features such as degenerate curves and neutral surfaces do not live in isolation. Instead, they intriguingly interact with each other. In this paper, we introduce the notion of {\em topological graph} for 3D symmetric tensor fields to facilitate global topological analysis of such fields. The nodes of the graph include degenerate curves and regions bounded by neutral surfaces in the domain. The edges in the graph denote the adjacency information between the regions and degenerate curves. In addition, we observe that a degenerate curve can be a loop and even a knot and that two degenerate curves (whether in the same region or not) can form a link. We provide a definition and theoretical analysis of individual degenerate curves in order to help understand why knots and links may occur. Moreover, we differentiate between wedges and trisectors, thus making the analysis more detailed about degenerate curves. We incorporate this information into the topological graph. Such a graph can not only reveal the global structure in a 3D symmetric tensor field but also allow two symmetric tensor fields to be compared. We demonstrate our approach by applying it to solid mechanics and material science data sets.

The quantum alternating operator ansatz (QAOA) is a heuristic hybrid quantum-classical algorithm for finding high-quality approximate solutions to combinatorial optimization problems, such as Maximum Satisfiability. While QAOA is well-studied, theoretical results as to its runtime or approximation ratio guarantees are still relatively sparse. We provide some of the first lower bounds for the number of rounds (the dominant component of QAOA runtimes) required for QAOA. For our main result, (i) we leverage a connection between quantum annealing times and the angles of QAOA to derive a lower bound on the number of rounds of QAOA with respect to the guaranteed approximation ratio. We apply and calculate this bound with Grover-style mixing unitaries and (ii) show that this type of QAOA requires at least a polynomial number of rounds to guarantee any constant approximation ratios for most problems. We also (iii) show that the bound depends only on the statistical values of the objective functions, and when the problem can be modeled as a $k$-local Hamiltonian, can be easily estimated from the coefficients of the Hamiltonians. For the conventional transverse field mixer, (iv) our framework gives a trivial lower bound to all bounded occurrence local cost problems and all strictly $k$-local cost Hamiltonians matching known results that constant approximation ratio is obtainable with constant round QAOA for a few optimization problems from these classes. Using our novel proof framework, (v) we recover the Grover lower bound for unstructured search and -- with small modification -- show that our bound applies to any QAOA-style search protocol that starts in the ground state of the mixing unitaries.

The concept of causality plays an important role in human cognition . In the past few decades, causal inference has been well developed in many fields, such as computer science, medicine, economics, and education. With the advancement of deep learning techniques, it has been increasingly used in causal inference against counterfactual data. Typically, deep causal models map the characteristics of covariates to a representation space and then design various objective optimization functions to estimate counterfactual data unbiasedly based on the different optimization methods. This paper focuses on the survey of the deep causal models, and its core contributions are as follows: 1) we provide relevant metrics under multiple treatments and continuous-dose treatment; 2) we incorporate a comprehensive overview of deep causal models from both temporal development and method classification perspectives; 3) we assist a detailed and comprehensive classification and analysis of relevant datasets and source code.

Data processing and analytics are fundamental and pervasive. Algorithms play a vital role in data processing and analytics where many algorithm designs have incorporated heuristics and general rules from human knowledge and experience to improve their effectiveness. Recently, reinforcement learning, deep reinforcement learning (DRL) in particular, is increasingly explored and exploited in many areas because it can learn better strategies in complicated environments it is interacting with than statically designed algorithms. Motivated by this trend, we provide a comprehensive review of recent works focusing on utilizing DRL to improve data processing and analytics. First, we present an introduction to key concepts, theories, and methods in DRL. Next, we discuss DRL deployment on database systems, facilitating data processing and analytics in various aspects, including data organization, scheduling, tuning, and indexing. Then, we survey the application of DRL in data processing and analytics, ranging from data preparation, natural language processing to healthcare, fintech, etc. Finally, we discuss important open challenges and future research directions of using DRL in data processing and analytics.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

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