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In this paper, practically computable low-order approximations of potentially high-dimensional differential equations driven by geometric rough paths are proposed and investigated. In particular, equations are studied that cover the linear setting, but we allow for a certain type of dissipative nonlinearity in the drift as well. In a first step, a linear subspace is found that contains the solution space of the underlying rough differential equation (RDE). This subspace is associated to covariances of linear Ito-stochastic differential equations which is shown exploiting a Gronwall lemma for matrix differential equations. Orthogonal projections onto the identified subspace lead to a first exact reduced order system. Secondly, a linear map of the RDE solution (quantity of interest) is analyzed in terms of redundant information meaning that state variables are found that do not contribute to the quantity of interest. Once more, a link to Ito-stochastic differential equations is used. Removing such unnecessary information from the RDE provides a further dimension reduction without causing an error. Finally, we discretize a linear parabolic rough partial differential equation in space. The resulting large-order RDE is subsequently tackled with the exact reduction techniques studied in this paper. We illustrate the enormous complexity reduction potential in the corresponding numerical experiments.

In this paper, we consider the problem of learning safe policies for probabilistic-constrained reinforcement learning (RL). Specifically, a safe policy or controller is one that, with high probability, maintains the trajectory of the agent in a given safe set. We establish a connection between this probabilistic-constrained setting and the cumulative-constrained formulation that is frequently explored in the existing literature. We provide theoretical bounds elucidating that the probabilistic-constrained setting offers a better trade-off in terms of optimality and safety (constraint satisfaction). The challenge encountered when dealing with the probabilistic constraints, as explored in this work, arises from the absence of explicit expressions for their gradients. Our prior work provides such an explicit gradient expression for probabilistic constraints which we term Safe Policy Gradient-REINFORCE (SPG-REINFORCE). In this work, we provide an improved gradient SPG-Actor-Critic that leads to a lower variance than SPG-REINFORCE, which is substantiated by our theoretical results. A noteworthy aspect of both SPGs is their inherent algorithm independence, rendering them versatile for application across a range of policy-based algorithms. Furthermore, we propose a Safe Primal-Dual algorithm that can leverage both SPGs to learn safe policies. It is subsequently followed by theoretical analyses that encompass the convergence of the algorithm, as well as the near-optimality and feasibility on average. In addition, we test the proposed approaches by a series of empirical experiments. These experiments aim to examine and analyze the inherent trade-offs between the optimality and safety, and serve to substantiate the efficacy of two SPGs, as well as our theoretical contributions.

Wasserstein gradient flows on probability measures have found a host of applications in various optimization problems. They typically arise as the continuum limit of exchangeable particle systems evolving by some mean-field interaction involving a gradient-type potential. However, in many problems, such as in multi-layer neural networks, the so-called particles are edge weights on large graphs whose nodes are exchangeable. Such large graphs are known to converge to continuum limits called graphons as their size grow to infinity. We show that the Euclidean gradient flow of a suitable function of the edge-weights converges to a novel continuum limit given by a curve on the space of graphons that can be appropriately described as a gradient flow or, more technically, a curve of maximal slope. Several natural functions on graphons, such as homomorphism functions and the scalar entropy, are covered by our set-up, and the examples have been worked out in detail.

Compositionality is a critical aspect of scalable system design. Reinforcement learning (RL) has recently shown substantial success in task learning, but has only recently begun to truly leverage composition. In this paper, we focus on Boolean composition of learned tasks as opposed to functional or sequential composition. Existing Boolean composition for RL focuses on reaching a satisfying absorbing state in environments with discrete action spaces, but does not support composable safety (i.e., avoidance) constraints. We advance the state of the art in Boolean composition of learned tasks with three contributions: i) introduce two distinct notions of safety in this framework; ii) show how to enforce either safety semantics, prove correctness (under some assumptions), and analyze the trade-offs between the two safety notions; and iii) extend Boolean composition from discrete action spaces to continuous action spaces. We demonstrate these techniques using modified versions of value iteration in a grid world, Deep Q-Network (DQN) in a grid world with image observations, and Twin Delayed DDPG (TD3) in a continuous-observation and continuous-action Bullet physics environment. We believe that these contributions advance the theory of safe reinforcement learning by allowing zero-shot composition of policies satisfying safety properties.

Models with intractable normalizing functions have numerous applications. Because the normalizing constants are functions of the parameters of interest, standard Markov chain Monte Carlo cannot be used for Bayesian inference for these models. A number of algorithms have been developed for such models. Some have the posterior distribution as their asymptotic distribution. Other ``asymptotically inexact'' algorithms do not possess this property. There is limited guidance for evaluating approximations based on these algorithms. Hence it is very hard to tune them. We propose two new diagnostics that address these problems for intractable normalizing function models. Our first diagnostic, inspired by the second Bartlett identity, is in principle broadly applicable to Monte Carlo approximations beyond the normalizing function problem. We develop an approximate version of this diagnostic that is applicable to intractable normalizing function problems. Our second diagnostic is a Monte Carlo approximation to a kernel Stein discrepancy-based diagnostic introduced by Gorham and Mackey (2017). We provide theoretical justification for our methods and apply them to several algorithms in challenging simulated and real data examples including an Ising model, an exponential random graph model, and a Conway--Maxwell--Poisson regression model, obtaining interesting insights about the algorithms in these contexts.

Recently, Ye et al. (Mathematical Programming 2023) designed an algorithm for solving a specific class of bilevel programs with an emphasis on applications related to hyperparameter selection, utilizing the difference of convex algorithm based on the value function approach reformulation. The proposed algorithm is particularly powerful when the lower level problem is fully convex , such as a support vector machine model or a least absolute shrinkage and selection operator model. In this paper, to suit more applications related to machine learning and statistics, we substantially weaken the underlying assumption from lower level full convexity to weak convexity. Accordingly, we propose a new reformulation using Moreau envelope of the lower level problem and demonstrate that this reformulation is a difference of weakly convex program. Subsequently, we develop a sequentially convergent algorithm for solving this difference of weakly convex program. To evaluate the effectiveness of our approach, we conduct numerical experiments on the bilevel hyperparameter selection problem from elastic net, sparse group lasso, and RBF kernel support vector machine models.

Neural operator architectures employ neural networks to approximate operators mapping between Banach spaces of functions; they may be used to accelerate model evaluations via emulation, or to discover models from data. Consequently, the methodology has received increasing attention over recent years, giving rise to the rapidly growing field of operator learning. The first contribution of this paper is to prove that for general classes of operators which are characterized only by their $C^r$- or Lipschitz-regularity, operator learning suffers from a curse of dimensionality, defined precisely here in terms of representations of the infinite-dimensional input and output function spaces. The result is applicable to a wide variety of existing neural operators, including PCA-Net, DeepONet and the FNO. The second contribution of the paper is to prove that the general curse of dimensionality can be overcome for solution operators defined by the Hamilton-Jacobi equation; this is achieved by leveraging additional structure in the underlying solution operator, going beyond regularity. To this end, a novel neural operator architecture is introduced, termed HJ-Net, which explicitly takes into account characteristic information of the underlying Hamiltonian system. Error and complexity estimates are derived for HJ-Net which show that this architecture can provably beat the curse of dimensionality related to the infinite-dimensional input and output function spaces.

We prove the first polynomial separation between randomized and deterministic time-space tradeoffs of multi-output functions. In particular, we present a total function that on the input of $n$ elements in $[n]$, outputs $O(n)$ elements, such that: (1) There exists a randomized oblivious algorithm with space $O(\log n)$, time $O(n\log n)$ and one-way access to randomness, that computes the function with probability $1-O(1/n)$; (2) Any deterministic oblivious branching program with space $S$ and time $T$ that computes the function must satisfy $T^2S\geq\Omega(n^{2.5}/\log n)$. This implies that logspace randomized algorithms for multi-output functions cannot be black-box derandomized without an $\widetilde{\Omega}(n^{1/4})$ overhead in time. Since previously all the polynomial time-space tradeoffs of multi-output functions are proved via the Borodin-Cook method, which is a probabilistic method that inherently gives the same lower bound for randomized and deterministic branching programs, our lower bound proof is intrinsically different from previous works. We also examine other natural candidates for proving such separations, and show that any polynomial separation for these problems would resolve the long-standing open problem of proving $n^{1+\Omega(1)}$ time lower bound for decision problems with $\mathrm{polylog}(n)$ space.

Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.