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We consider ill-posed inverse problems where the forward operator $T$ is unknown, and instead we have access to training data consisting of functions $f_i$ and their noisy images $Tf_i$. This is a practically relevant and challenging problem which current methods are able to solve only under strong assumptions on the training set. Here we propose a new method that requires minimal assumptions on the data, and prove reconstruction rates that depend on the number of training points and the noise level. We show that, in the regime of "many" training data, the method is minimax optimal. The proposed method employs a type of convolutional neural networks (U-nets) and empirical risk minimization in order to "fit" the unknown operator. In a nutshell, our approach is based on two ideas: the first is to relate U-nets to multiscale decompositions such as wavelets, thereby linking them to the existing theory, and the second is to use the hierarchical structure of U-nets and the low number of parameters of convolutional neural nets to prove entropy bounds that are practically useful. A significant difference with the existing works on neural networks in nonparametric statistics is that we use them to approximate operators and not functions, which we argue is mathematically more natural and technically more convenient.

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Deep learning based approaches like Physics-informed neural networks (PINNs) and DeepONets have shown promise on solving PDE constrained optimization (PDECO) problems. However, existing methods are insufficient to handle those PDE constraints that have a complicated or nonlinear dependency on optimization targets. In this paper, we present a novel bi-level optimization framework to resolve the challenge by decoupling the optimization of the targets and constraints. For the inner loop optimization, we adopt PINNs to solve the PDE constraints only. For the outer loop, we design a novel method by using Broyden's method based on the Implicit Function Theorem (IFT), which is efficient and accurate for approximating hypergradients. We further present theoretical explanations and error analysis of the hypergradients computation. Extensive experiments on multiple large-scale and nonlinear PDE constrained optimization problems demonstrate that our method achieves state-of-the-art results compared with strong baselines.

PDE-constrained inverse problems are some of the most challenging and computationally demanding problems in computational science today. Fine meshes that are required to accurately compute the PDE solution introduce an enormous number of parameters and require large scale computing resources such as more processors and more memory to solve such systems in a reasonable time. For inverse problems constrained by time dependent PDEs, the adjoint method that is often employed to efficiently compute gradients and higher order derivatives requires solving a time-reversed, so-called adjoint PDE that depends on the forward PDE solution at each timestep. This necessitates the storage of a high dimensional forward solution vector at every timestep. Such a procedure quickly exhausts the available memory resources. Several approaches that trade additional computation for reduced memory footprint have been proposed to mitigate the memory bottleneck, including checkpointing and compression strategies. In this work, we propose a close-to-ideal scalable compression approach using autoencoders to eliminate the need for checkpointing and substantial memory storage, thereby reducing both the time-to-solution and memory requirements. We compare our approach with checkpointing and an off-the-shelf compression approach on an earth-scale ill-posed seismic inverse problem. The results verify the expected close-to-ideal speedup for both the gradient and Hessian-vector product using the proposed autoencoder compression approach. To highlight the usefulness of the proposed approach, we combine the autoencoder compression with the data-informed active subspace (DIAS) prior to show how the DIAS method can be affordably extended to large scale problems without the need of checkpointing and large memory.

We focus on learning unknown dynamics from data using ODE-nets templated on implicit numerical initial value problem solvers. First, we perform Inverse Modified error analysis of the ODE-nets using unrolled implicit schemes for ease of interpretation. It is shown that training an ODE-net using an unrolled implicit scheme returns a close approximation of an Inverse Modified Differential Equation (IMDE). In addition, we establish a theoretical basis for hyper-parameter selection when training such ODE-nets, whereas current strategies usually treat numerical integration of ODE-nets as a black box. We thus formulate an adaptive algorithm which monitors the level of error and adapts the number of (unrolled) implicit solution iterations during the training process, so that the error of the unrolled approximation is less than the current learning loss. This helps accelerate training, while maintaining accuracy. Several numerical experiments are performed to demonstrate the advantages of the proposed algorithm compared to nonadaptive unrollings, and validate the theoretical analysis. We also note that this approach naturally allows for incorporating partially known physical terms in the equations, giving rise to what is termed ``gray box" identification.

Based on the variational method, we propose a novel paradigm that provides a unified framework of training neural operators and solving partial differential equations (PDEs) with the variational form, which we refer to as the variational operator learning (VOL). We first derive the functional approximation of the system from the node solution prediction given by neural operators, and then conduct the variational operation by automatic differentiation, constructing a forward-backward propagation loop to derive the residual of the linear system. One or several update steps of the steepest decent method (SD) and the conjugate gradient method (CG) are provided in every iteration as a cheap yet effective update for training the neural operators. Experimental results show the proposed VOL can learn a variety of solution operators in PDEs of the steady heat transfer and the variable stiffness elasticity with satisfactory results and small error. The proposed VOL achieves nearly label-free training. Only five to ten labels are used for the output distribution-shift session in all experiments. Generalization benefits of the VOL are investigated and discussed.

Federated learning (FL) enables distributed clients to collaboratively train a machine learning model without sharing raw data with each other. However, it suffers the leakage of private information from uploading models. In addition, as the model size grows, the training latency increases due to limited transmission bandwidth and the model performance degrades while using differential privacy (DP) protection. In this paper, we propose a gradient sparsification empowered FL framework over wireless channels, in order to improve training efficiency without sacrificing convergence performance. Specifically, we first design a random sparsification algorithm to retain a fraction of the gradient elements in each client's local training, thereby mitigating the performance degradation induced by DP and and reducing the number of transmission parameters over wireless channels. Then, we analyze the convergence bound of the proposed algorithm, by modeling a non-convex FL problem. Next, we formulate a time-sequential stochastic optimization problem for minimizing the developed convergence bound, under the constraints of transmit power, the average transmitting delay, as well as the client's DP requirement. Utilizing the Lyapunov drift-plus-penalty framework, we develop an analytical solution to the optimization problem. Extensive experiments have been implemented on three real life datasets to demonstrate the effectiveness of our proposed algorithm. We show that our proposed algorithms can fully exploit the interworking between communication and computation to outperform the baselines, i.e., random scheduling, round robin and delay-minimization algorithms.

Hierarchical Federated Learning (HFL) is a distributed machine learning paradigm tailored for multi-tiered computation architectures, which supports massive access of devices' models simultaneously. To enable efficient HFL, it is crucial to design suitable incentive mechanisms to ensure that devices actively participate in local training. However, there are few studies on incentive mechanism design for HFL. In this paper, we design two-level incentive mechanisms for the HFL with a two-tiered computing structure to encourage the participation of entities in each tier in the HFL training. In the lower-level game, we propose a coalition formation game to joint optimize the edge association and bandwidth allocation problem, and obtain efficient coalition partitions by the proposed preference rule, which can be proven to be stable by exact potential game. In the upper-level game, we design the Stackelberg game algorithm, which not only determines the optimal number of edge aggregations for edge servers to maximize their utility, but also optimize the unit reward provided for the edge aggregation performance to ensure the interests of cloud servers. Furthermore, numerical results indicate that the proposed algorithms can achieve better performance than the benchmark schemes.

We define very large multi-objective optimization problems to be multiobjective optimization problems in which the number of decision variables is greater than 100,000 dimensions. This is an important class of problems as many real-world problems require optimizing hundreds of thousands of variables. Existing evolutionary optimization methods fall short of such requirements when dealing with problems at this very large scale. Inspired by the success of existing recommender systems to handle very large-scale items with limited historical interactions, in this paper we propose a method termed Very large-scale Multiobjective Optimization through Recommender Systems (VMORS). The idea of the proposed method is to transform the defined such very large-scale problems into a problem that can be tackled by a recommender system. In the framework, the solutions are regarded as users, and the different evolution directions are items waiting for the recommendation. We use Thompson sampling to recommend the most suitable items (evolutionary directions) for different users (solutions), in order to locate the optimal solution to a multiobjective optimization problem in a very large search space within acceptable time. We test our proposed method on different problems from 100,000 to 500,000 dimensions, and experimental results show that our method not only shows good performance but also significant improvement over existing methods.

The classical development of neural networks has primarily focused on learning mappings between finite dimensional Euclidean spaces or finite sets. We propose a generalization of neural networks to learn operators, termed neural operators, that map between infinite dimensional function spaces. We formulate the neural operator as a composition of linear integral operators and nonlinear activation functions. We prove a universal approximation theorem for our proposed neural operator, showing that it can approximate any given nonlinear continuous operator. The proposed neural operators are also discretization-invariant, i.e., they share the same model parameters among different discretization of the underlying function spaces. Furthermore, we introduce four classes of efficient parameterization, viz., graph neural operators, multi-pole graph neural operators, low-rank neural operators, and Fourier neural operators. An important application for neural operators is learning surrogate maps for the solution operators of partial differential equations (PDEs). We consider standard PDEs such as the Burgers, Darcy subsurface flow, and the Navier-Stokes equations, and show that the proposed neural operators have superior performance compared to existing machine learning based methodologies, while being several orders of magnitude faster than conventional PDE solvers.

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.

In many real-world network datasets such as co-authorship, co-citation, email communication, etc., relationships are complex and go beyond pairwise. Hypergraphs provide a flexible and natural modeling tool to model such complex relationships. The obvious existence of such complex relationships in many real-world networks naturaly motivates the problem of learning with hypergraphs. A popular learning paradigm is hypergraph-based semi-supervised learning (SSL) where the goal is to assign labels to initially unlabeled vertices in a hypergraph. Motivated by the fact that a graph convolutional network (GCN) has been effective for graph-based SSL, we propose HyperGCN, a novel GCN for SSL on attributed hypergraphs. Additionally, we show how HyperGCN can be used as a learning-based approach for combinatorial optimisation on NP-hard hypergraph problems. We demonstrate HyperGCN's effectiveness through detailed experimentation on real-world hypergraphs.

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