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The quantum thermal average is a central topic in quantum physics and can be represented by the path integrals. For the computational perspective, the path integral representation (PIR) needs to be approximated in a finite-dimensional space, and the convergence of such approximation is termed as the convergence of the PIR. In this paper, we establish the Trotter product formula in the trace form, which connects the quantum thermal average and the Boltzmann distribution of a continuous loop in a rigorous way. We prove the qualitative convergence of the standard PIR, and obtain the explicit convergence rates of the continuous loop PIR. These results showcase various approaches to approximate the quantum thermal average, which provide theoretical guarantee for the path integral approaches of quantum thermal equilibrium systems, such as the path integral molecular dynamics.

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Integration:Integration, the VLSI Journal。 Explanation:集成,VLSI雜志。 Publisher:Elsevier。 SIT:

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this paper, we present GraphSplineNets, a novel deep-learning method to speed up the forecasting of physical systems by reducing the grid size and number of iteration steps of deep surrogate models. Our method uses two differentiable orthogonal spline collocation methods to efficiently predict response at any location in time and space. Additionally, we introduce an adaptive collocation strategy in space to prioritize sampling from the most important regions. GraphSplineNets improve the accuracy-speedup tradeoff in forecasting various dynamical systems with increasing complexity, including the heat equation, damped wave propagation, Navier-Stokes equations, and real-world ocean currents in both regular and irregular domains.

Ising machines are a form of quantum-inspired processing-in-memory computer which has shown great promise for overcoming the limitations of traditional computing paradigms while operating at a fraction of the energy use. The process of designing Ising machines is known as the reverse Ising problem. Unfortunately, this problem is in general computationally intractable: it is a nonconvex mixed-integer linear programming problem which cannot be naively brute-forced except in the simplest cases due to exponential scaling of runtime with number of spins. We prove new theoretical results which allow us to reduce the search space to one with quadratic scaling. We utilize this theory to develop general purpose algorithmic solutions to the reverse Ising problem. In particular, we demonstrate Ising formulations of 3-bit and 4-bit integer multiplication which use fewer total spins than previously known methods by a factor of more than three. Our results increase the practicality of implementing such circuits on modern Ising hardware, where spins are at a premium.

Given an unknown dynamical system, what is the minimum number of samples needed for effective learning of its governing laws and accurate prediction of its future evolution behavior, and how to select these critical samples? In this work, we propose to explore this problem based on a design approach. Starting from a small initial set of samples, we adaptively discover critical samples to achieve increasingly accurate learning of the system evolution. One central challenge here is that we do not know the network modeling error since the ground-truth system state is unknown, which is however needed for critical sampling. To address this challenge, we introduce a multi-step reciprocal prediction network where forward and backward evolution networks are designed to learn the temporal evolution behavior in the forward and backward time directions, respectively. Very interestingly, we find that the desired network modeling error is highly correlated with the multi-step reciprocal prediction error, which can be directly computed from the current system state. This allows us to perform a dynamic selection of critical samples from regions with high network modeling errors for dynamical systems. Additionally, a joint spatial-temporal evolution network is introduced which incorporates spatial dynamics modeling into the temporal evolution prediction for robust learning of the system evolution operator with few samples. Our extensive experimental results demonstrate that our proposed method is able to dramatically reduce the number of samples needed for effective learning and accurate prediction of evolution behaviors of unknown dynamical systems by up to hundreds of times.

Backpropagation within neural networks leverages a fundamental element of automatic differentiation, which is referred to as the reverse mode differentiation, or vector Jacobian Product (VJP) or, in the context of differential geometry, known as the pull-back process. The computation of gradient is important as update of neural network parameters is performed using gradient descent method. In this study, we present a genric randomized method, which updates the parameters of neural networks by using directional derivatives of loss functions computed efficiently by using forward mode AD or Jacobian vector Product (JVP). These JVP are computed along the random directions sampled from different probability distributions e.g., Bernoulli, Normal, Wigner, Laplace and Uniform distributions. The computation of gradient is performed during the forward pass of the neural network. We also present a rigorous analysis of the presented methods providing the rate of convergence along with the computational experiments deployed in scientific Machine learning in particular physics-informed neural networks and Deep Operator Networks.

Large integer factorization is a prominent research challenge, particularly in the context of quantum computing. This holds significant importance, especially in information security that relies on public key cryptosystems. The classical computation of prime factors for an integer has exponential time complexity. Quantum computing offers the potential for significantly faster computational processes compared to classical processors. In this paper, we propose a new quantum algorithm, Shallow Depth Factoring (SDF), to factor a biprime integer. SDF consists of three steps. First, it converts a factoring problem to an optimization problem without an objective function. Then, it uses a Quantum Feasibility Labeling (QFL) method to label every possible solution according to whether it is feasible or infeasible for the optimization problem. Finally, it employs the Variational Quantum Search (VQS) to find all feasible solutions. The SDF utilizes shallow-depth quantum circuits for efficient factorization, with the circuit depth scaling linearly as the integer to be factorized increases. Through minimizing the number of gates in the circuit, the algorithm enhances feasibility and reduces vulnerability to errors.

As machine learning models become more capable, they have exhibited increased potential in solving complex tasks. One of the most promising directions uses deep reinforcement learning to train autonomous agents in computer network defense tasks. This work studies the impact of the reward signal that is provided to the agents when training for this task. Due to the nature of cybersecurity tasks, the reward signal is typically 1) in the form of penalties (e.g., when a compromise occurs), and 2) distributed sparsely across each defense episode. Such reward characteristics are atypical of classic reinforcement learning tasks where the agent is regularly rewarded for progress (cf. to getting occasionally penalized for failures). We investigate reward shaping techniques that could bridge this gap so as to enable agents to train more sample-efficiently and potentially converge to a better performance. We first show that deep reinforcement learning algorithms are sensitive to the magnitude of the penalties and their relative size. Then, we combine penalties with positive external rewards and study their effect compared to penalty-only training. Finally, we evaluate intrinsic curiosity as an internal positive reward mechanism and discuss why it might not be as advantageous for high-level network monitoring tasks.

Among the wide variety of evolutionary computing models, Finite State Machines (FSMs) have several attractions for fundamental research. They are easy to understand in concept and can be visualised clearly in simple cases. They have a ready fitness criterion through their relationship with Regular Languages. They have also been shown to be tractably evolvable, even up to exhibiting evidence of open-ended evolution in specific scenarios. In addition to theoretical attraction, they also have industrial applications, as a paradigm of both automated and user-initiated control. Improving the understanding of the factors affecting FSM evolution has relevance to both computer science and practical optimisation of control. We investigate an evolutionary scenario of FSMs adapting to recognise one of a family of Regular Languages by categorising positive and negative samples, while also being under a counteracting selection pressure that favours fewer states. The results appear to indicate that longer strings provided as samples reduce the speed of fitness gain, when fitness is measured against a fixed number of sample strings. We draw the inference that additional information from longer strings is not sufficient to compensate for sparser coverage of the combinatorial space of positive and negative sample strings.

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.

We address the task of automatically scoring the competency of candidates based on textual features, from the automatic speech recognition (ASR) transcriptions in the asynchronous video job interview (AVI). The key challenge is how to construct the dependency relation between questions and answers, and conduct the semantic level interaction for each question-answer (QA) pair. However, most of the recent studies in AVI focus on how to represent questions and answers better, but ignore the dependency information and interaction between them, which is critical for QA evaluation. In this work, we propose a Hierarchical Reasoning Graph Neural Network (HRGNN) for the automatic assessment of question-answer pairs. Specifically, we construct a sentence-level relational graph neural network to capture the dependency information of sentences in or between the question and the answer. Based on these graphs, we employ a semantic-level reasoning graph attention network to model the interaction states of the current QA session. Finally, we propose a gated recurrent unit encoder to represent the temporal question-answer pairs for the final prediction. Empirical results conducted on CHNAT (a real-world dataset) validate that our proposed model significantly outperforms text-matching based benchmark models. Ablation studies and experimental results with 10 random seeds also show the effectiveness and stability of our models.

Neural machine translation (NMT) is a deep learning based approach for machine translation, which yields the state-of-the-art translation performance in scenarios where large-scale parallel corpora are available. Although the high-quality and domain-specific translation is crucial in the real world, domain-specific corpora are usually scarce or nonexistent, and thus vanilla NMT performs poorly in such scenarios. Domain adaptation that leverages both out-of-domain parallel corpora as well as monolingual corpora for in-domain translation, is very important for domain-specific translation. In this paper, we give a comprehensive survey of the state-of-the-art domain adaptation techniques for NMT.

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