Transition phenomena between metastable states play an important role in complex systems due to noisy fluctuations. In this paper, the physics informed neural networks (PINNs) are presented to compute the most probable transition pathway. It is shown that the expected loss is bounded by the empirical loss. And the convergence result for the empirical loss is obtained. Then, a sampling method of rare events is presented to simulate the transition path by the Markovian bridge process. And we investigate the inverse problem to extract the stochastic differential equation from the most probable transition pathway data and the Markovian bridge process data, respectively. Finally, several numerical experiments are presented to verify the effectiveness of our methods.
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Given input-output pairs of an elliptic partial differential equation (PDE) in three dimensions, we derive the first theoretically-rigorous scheme for learning the associated Green's function $G$. By exploiting the hierarchical low-rank structure of $G$, we show that one can construct an approximant to $G$ that converges almost surely and achieves a relative error of $\mathcal{O}(\Gamma_\epsilon^{-1/2}\log^3(1/\epsilon)\epsilon)$ using at most $\mathcal{O}(\epsilon^{-6}\log^4(1/\epsilon))$ input-output training pairs with high probability, for any $0<\epsilon<1$. The quantity $0<\Gamma_\epsilon\leq 1$ characterizes the quality of the training dataset. Along the way, we extend the randomized singular value decomposition algorithm for learning matrices to Hilbert--Schmidt operators and characterize the quality of covariance kernels for PDE learning.
We derive a posteriori error estimates for a fully discrete finite element approximation of the stochastic Cahn-Hilliard equation. The a posteriori bound is obtained by a splitting of the equation into a linear stochastic partial differential equation (SPDE) and a nonlinear random partial differential equation (RPDE). The resulting estimate is robust with respect to the interfacial width parameter and is computable since it involves the discrete principal eigenvalue of a linearized (stochastic) Cahn-Hilliard operator. Furthermore, the estimate is robust with respect to topological changes as well as the intensity of the stochastic noise. We provide numerical simulations to demonstrate the practicability of the proposed adaptive algorithm.
We use a numerical-analytic technique to construct a sequence of successive approximations to the solution of a system of fractional differential equations, subject to Dirichlet boundary conditions. We prove the uniform convergence of the sequence of approximations to a limit function, which is the unique solution to the boundary value problem under consideration, and give necessary and sufficient conditions for the existence of solutions. The obtained theoretical results are confirmed by a model example.
In this paper, a numerical scheme for a nonlinear McKendrick-von Foerster equation with diffusion in age (MV-D) with the Dirichlet boundary condition is proposed. The main idea to derive the scheme is to use the discretization based on the method of characteristics to the convection part, and the finite difference method to the rest of the terms. The nonlocal terms are dealt with the quadrature methods. As a result, an implicit scheme is obtained for the boundary value problem under consideration. The consistency and the convergence of the proposed numerical scheme is established. Moreover, numerical simulations are presented to validate the theoretical results.
A determinantal point process (DPP) on a collection of $M$ items is a model, parameterized by a symmetric kernel matrix, that assigns a probability to every subset of those items. Recent work shows that removing the kernel symmetry constraint, yielding nonsymmetric DPPs (NDPPs), can lead to significant predictive performance gains for machine learning applications. However, existing work leaves open the question of scalable NDPP sampling. There is only one known DPP sampling algorithm, based on Cholesky decomposition, that can directly apply to NDPPs as well. Unfortunately, its runtime is cubic in $M$, and thus does not scale to large item collections. In this work, we first note that this algorithm can be transformed into a linear-time one for kernels with low-rank structure. Furthermore, we develop a scalable sublinear-time rejection sampling algorithm by constructing a novel proposal distribution. Additionally, we show that imposing certain structural constraints on the NDPP kernel enables us to bound the rejection rate in a way that depends only on the kernel rank. In our experiments we compare the speed of all of these samplers for a variety of real-world tasks.
Stochastic Hamiltonian partial differential equations, which possess the multi-symplectic conservation law, are an important and fairly large class of systems. The multi-symplectic methods inheriting the geometric features of stochastic Hamiltonian partial differential equations provide numerical approximations with better numerical stability, and are of vital significance for obtaining correct numerical results. In this paper, we propose three novel multi-symplectic methods for stochastic Hamiltonian partial differential equations based on the local radial basis function collocation method, the splitting technique, and the partitioned Runge-Kutta method. Concrete numerical methods are presented for nonlinear stochastic wave equations, stochastic nonlinear Schr\"odinger equations, stochastic Korteweg-de Vries equations and stochastic Maxwell equations. We take stochastic wave equations as examples to perform numerical experiments, which indicate the validity of the proposed methods.
An informative measurement is the most efficient way to gain information about an unknown state. We give a first-principles derivation of a general-purpose dynamic programming algorithm that returns an optimal sequence of informative measurements by sequentially maximizing the entropy of possible measurement outcomes. This algorithm can be used by an autonomous agent or robot to decide where best to measure next, planning a path corresponding to an optimal sequence of informative measurements. The algorithm is applicable to states and controls that are continuous or discrete, and agent dynamics that is either stochastic or deterministic; including Markov decision processes and Gaussian processes. Recent results from approximate dynamic programming and reinforcement learning, including on-line approximations such as rollout and Monte Carlo tree search, allow the measurement task to be solved in real-time. The resulting solutions include non-myopic paths and measurement sequences that can generally outperform, sometimes substantially, commonly used greedy approaches. This is demonstrated for a global search problem, where on-line planning with an extended local search is found to reduce the number of measurements in the search by approximately half. A variant of the algorithm is derived for Gaussian processes for active sensing.
We study the problem of learning in the stochastic shortest path (SSP) setting, where an agent seeks to minimize the expected cost accumulated before reaching a goal state. We design a novel model-based algorithm EB-SSP that carefully skews the empirical transitions and perturbs the empirical costs with an exploration bonus to guarantee both optimism and convergence of the associated value iteration scheme. We prove that EB-SSP achieves the minimax regret rate $\widetilde{O}(B_{\star} \sqrt{S A K})$, where $K$ is the number of episodes, $S$ is the number of states, $A$ is the number of actions and $B_{\star}$ bounds the expected cumulative cost of the optimal policy from any state, thus closing the gap with the lower bound. Interestingly, EB-SSP obtains this result while being parameter-free, i.e., it does not require any prior knowledge of $B_{\star}$, nor of $T_{\star}$ which bounds the expected time-to-goal of the optimal policy from any state. Furthermore, we illustrate various cases (e.g., positive costs, or general costs when an order-accurate estimate of $T_{\star}$ is available) where the regret only contains a logarithmic dependence on $T_{\star}$, thus yielding the first horizon-free regret bound beyond the finite-horizon MDP setting.
Alternating Direction Method of Multipliers (ADMM) is a widely used tool for machine learning in distributed settings, where a machine learning model is trained over distributed data sources through an interactive process of local computation and message passing. Such an iterative process could cause privacy concerns of data owners. The goal of this paper is to provide differential privacy for ADMM-based distributed machine learning. Prior approaches on differentially private ADMM exhibit low utility under high privacy guarantee and often assume the objective functions of the learning problems to be smooth and strongly convex. To address these concerns, we propose a novel differentially private ADMM-based distributed learning algorithm called DP-ADMM, which combines an approximate augmented Lagrangian function with time-varying Gaussian noise addition in the iterative process to achieve higher utility for general objective functions under the same differential privacy guarantee. We also apply the moments accountant method to bound the end-to-end privacy loss. The theoretical analysis shows that DP-ADMM can be applied to a wider class of distributed learning problems, is provably convergent, and offers an explicit utility-privacy tradeoff. To our knowledge, this is the first paper to provide explicit convergence and utility properties for differentially private ADMM-based distributed learning algorithms. The evaluation results demonstrate that our approach can achieve good convergence and model accuracy under high end-to-end differential privacy guarantee.
Modern communication networks have become very complicated and highly dynamic, which makes them hard to model, predict and control. In this paper, we develop a novel experience-driven approach that can learn to well control a communication network from its own experience rather than an accurate mathematical model, just as a human learns a new skill (such as driving, swimming, etc). Specifically, we, for the first time, propose to leverage emerging Deep Reinforcement Learning (DRL) for enabling model-free control in communication networks; and present a novel and highly effective DRL-based control framework, DRL-TE, for a fundamental networking problem: Traffic Engineering (TE). The proposed framework maximizes a widely-used utility function by jointly learning network environment and its dynamics, and making decisions under the guidance of powerful Deep Neural Networks (DNNs). We propose two new techniques, TE-aware exploration and actor-critic-based prioritized experience replay, to optimize the general DRL framework particularly for TE. To validate and evaluate the proposed framework, we implemented it in ns-3, and tested it comprehensively with both representative and randomly generated network topologies. Extensive packet-level simulation results show that 1) compared to several widely-used baseline methods, DRL-TE significantly reduces end-to-end delay and consistently improves the network utility, while offering better or comparable throughput; 2) DRL-TE is robust to network changes; and 3) DRL-TE consistently outperforms a state-ofthe-art DRL method (for continuous control), Deep Deterministic Policy Gradient (DDPG), which, however, does not offer satisfying performance.
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