We present an efficient basis for imaginary time Green's functions based on a low rank decomposition of the spectral Lehmann representation. The basis functions are simply a set of well-chosen exponentials, so the corresponding expansion may be thought of as a discrete form of the Lehmann representation using an effective spectral density which is a sum of $\delta$ functions. The basis is determined only by an upper bound on the product $\beta \omega_{\max}$, with $\beta$ the inverse temperature and $\omega_{\max}$ an energy cutoff, and a user-defined error tolerance $\epsilon$. The number $r$ of basis functions scales as $\mathcal{O}\left(\log(\beta \omega_{\max}) \log (1/\epsilon)\right)$. The discrete Lehmann representation of a particular imaginary time Green's function can be recovered by interpolation at a set of $r$ imaginary time nodes. Both the basis functions and the interpolation nodes can be obtained rapidly using standard numerical linear algebra routines. Due to the simple form of the basis, the discrete Lehmann representation of a Green's function can be explicitly transformed to the Matsubara frequency domain, or obtained directly by interpolation on a Matsubara frequency grid. We benchmark the efficiency of the representation on simple cases, and with a high precision solution of the Sachdev-Ye-Kitaev equation at low temperature. We compare our approach with the related intermediate representation method, and introduce an improved algorithm to build the intermediate representation basis and a corresponding sampling grid.
相關內容
Superconducting optoelectronic hardware is being explored as a path towards artificial spiking neural networks with unprecedented scales of complexity and computational ability. Such hardware combines integrated-photonic components for few-photon, light-speed communication with superconducting circuits for fast, energy-efficient computation. Monolithic integration of superconducting and photonic devices is necessary for the scaling of this technology. In the present work, superconducting-nanowire single-photon detectors are monolithically integrated with Josephson junctions for the first time, enabling the realization of superconducting optoelectronic synapses. We present circuits that perform analog weighting and temporal leaky integration of single-photon presynaptic signals. Synaptic weighting is implemented in the electronic domain so that binary, single-photon communication can be maintained. Records of recent synaptic activity are locally stored as current in superconducting loops. Dendritic and neuronal nonlinearities are implemented with a second stage of Josephson circuitry. The hardware presents great design flexibility, with demonstrated synaptic time constants spanning four orders of magnitude (hundreds of nanoseconds to milliseconds). The synapses are responsive to presynaptic spike rates exceeding 10 MHz and consume approximately 33 aJ of dynamic power per synapse event before accounting for cooling. In addition to neuromorphic hardware, these circuits introduce new avenues towards realizing large-scale single-photon-detector arrays for diverse imaging, sensing, and quantum communication applications.
Graph Convolutional Networks (GCNs) are one of the most popular architectures that are used to solve classification problems accompanied by graphical information. We present a rigorous theoretical understanding of the effects of graph convolutions in multi-layer networks. We study these effects through the node classification problem of a non-linearly separable Gaussian mixture model coupled with a stochastic block model. First, we show that a single graph convolution expands the regime of the distance between the means where multi-layer networks can classify the data by a factor of at least $1/\sqrt[4]{\mathbb{E}{\rm deg}}$, where $\mathbb{E}{\rm deg}$ denotes the expected degree of a node. Second, we show that with a slightly stronger graph density, two graph convolutions improve this factor to at least $1/\sqrt[4]{n}$, where $n$ is the number of nodes in the graph. Finally, we provide both theoretical and empirical insights into the performance of graph convolutions placed in different combinations among the layers of a network, concluding that the performance is mutually similar for all combinations of the placement. We present extensive experiments on both synthetic and real-world data that illustrate our results.
This paper describes an energy-preserving and globally time-reversible code for weakly compressible smoothed particle hydrodynamics (SPH). We do not add any additional dynamics to the Monaghan's original SPH scheme at the level of ordinary differential equation, but we show how to discretize the equations by using a corrected expression for density and by invoking a symplectic integrator. Moreover, to achieve the global-in-time reversibility, we have to correct the initial state, implement a conservative fluid-wall interaction, and use the fixed-point arithmetic. Although the numerical scheme is reversible globally in time (solvable backwards in time while recovering the initial conditions), we observe thermalization of the particle velocities and growth of the Boltzmann entropy. In other words, when we do not see all the possible details, as in the Boltzmann entropy, which depends only on the one-particle distribution function, we observe the emergence of the second law of thermodynamics (irreversible behavior) from purely reversible dynamics.
Despite significant advances in the field of deep learning in applications to various fields, explaining the inner processes of deep learning models remains an important and open question. The purpose of this article is to describe and substantiate the geometric and topological view of the learning process of neural networks. Our attention is focused on the internal representation of neural networks and on the dynamics of changes in the topology and geometry of the data manifold on different layers. We also propose a method for assessing the generalizing ability of neural networks based on topological descriptors. In this paper, we use the concepts of topological data analysis and intrinsic dimension, and we present a wide range of experiments on different datasets and different configurations of convolutional neural network architectures. In addition, we consider the issue of the geometry of adversarial attacks in the classification task and spoofing attacks on face recognition systems. Our work is a contribution to the development of an important area of explainable and interpretable AI through the example of computer vision.
Conductivity imaging represents one of the most important tasks in medical imaging. In this work we develop a neural network based reconstruction technique for imaging the conductivity from the magnitude of the internal current density. It is achieved by formulating the problem as a relaxed weighted least-gradient problem, and then approximating its minimizer by standard fully connected feedforward neural networks. We derive bounds on two components of the generalization error, i.e., approximation error and statistical error, explicitly in terms of properties of the neural networks (e.g., depth, total number of parameters, and the bound of the network parameters). We illustrate the performance and distinct features of the approach on several numerical experiments. Numerically, it is observed that the approach enjoys remarkable robustness with respect to the presence of data noise.
Fog computing is introduced by shifting cloud resources towards the users' proximity to mitigate the limitations possessed by cloud computing. Fog environment made its limited resource available to a large number of users to deploy their serverless applications, composed of several serverless functions. One of the primary intentions behind introducing the fog environment is to fulfil the demand of latency and location-sensitive serverless applications through its limited resources. The recent research mainly focuses on assigning maximum resources to such applications from the fog node and not taking full advantage of the cloud environment. This introduces a negative impact in providing the resources to a maximum number of connected users. To address this issue, in this paper, we investigated the optimum percentage of a user's request that should be fulfilled by fog and cloud. As a result, we proposed DeF-DReL, a Systematic Deployment of Serverless Functions in Fog and Cloud environments using Deep Reinforcement Learning, using several real-life parameters, such as distance and latency of the users from nearby fog node, user's priority, the priority of the serverless applications and their resource demand, etc. The performance of the DeF-DReL algorithm is further compared with recent related algorithms. From the simulation and comparison results, its superiority over other algorithms and its applicability to the real-life scenario can be clearly observed.
Emulators that can bypass computationally expensive scientific calculations with high accuracy and speed can enable new studies of fundamental science as well as more potential applications. In this work we discuss solving a system of constraint equations efficiently using a self-learning emulator. A self-learning emulator is an active learning protocol that can be used with any emulator that faithfully reproduces the exact solution at selected training points. The key ingredient is a fast estimate of the emulator error that becomes progressively more accurate as the emulator is improved, and the accuracy of the error estimate can be corrected using machine learning. We illustrate with three examples. The first uses cubic spline interpolation to find the solution of a transcendental equation with variable coefficients. The second example compares a spline emulator and a reduced basis method emulator to find solutions of a parameterized differential equation. The third example uses eigenvector continuation to find the eigenvectors and eigenvalues of a large Hamiltonian matrix that depends on several control parameters.
Disentangled representation learning has been proposed as an approach to learning general representations even in the absence of, or with limited, supervision. A good general representation can be fine-tuned for new target tasks using modest amounts of data, or used directly in unseen domains achieving remarkable performance in the corresponding task. This alleviation of the data and annotation requirements offers tantalising prospects for applications in computer vision and healthcare. In this tutorial paper, we motivate the need for disentangled representations, revisit key concepts, and describe practical building blocks and criteria for learning such representations. We survey applications in medical imaging emphasising choices made in exemplar key works, and then discuss links to computer vision applications. We conclude by presenting limitations, challenges, and opportunities.
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.
Present-day atomistic simulations generate long trajectories of ever more complex systems. Analyzing these data, discovering metastable states, and uncovering their nature is becoming increasingly challenging. In this paper, we first use the variational approach to conformation dynamics to discover the slowest dynamical modes of the simulations. This allows the different metastable states of the system to be located and organized hierarchically. The physical descriptors that characterize metastable states are discovered by means of a machine learning method. We show in the cases of two proteins, Chignolin and Bovine Pancreatic Trypsin Inhibitor, how such analysis can be effortlessly performed in a matter of seconds. Another strength of our approach is that it can be applied to the analysis of both unbiased and biased simulations.
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191