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Register a new userScaffolding Simulations with Deep Learning for High-dimensional Deconvolution
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A common setting for scientific inference is the ability to sample from a high-fidelity forward model (simulation) without having an explicit probability density of the data. We propose a simulation-based maximum likelihood deconvolution approach in this setting called OmniFold. Deep learning enables this approach to be naturally unbinned and (variable-, and) high-dimensional. In contrast to model parameter estimation, the goal of deconvolution is to remove detector distortions in order to enable a variety of down-stream inference tasks. Our approach is the deep learning generalization of the common Richardson-Lucy approach that is also called Iterative Bayesian Unfolding in particle physics. We show how OmniFold can not only remove detector distortions, but it can also account for noise processes and acceptance effects.
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Conventional uncertainty quantification methods usually lacks the capability of dealing with high-dimensional problems due to the curse of dimensionality. This paper presents a semi-supervised learning framework for dimension reduction and reliability analysis. An autoencoder is first adopted for mapping the high-dimensional space into a low-dimensional latent space, which contains a distinguishable failure surface. Then a deep feedforward neural network (DFN) is utilized to learn the mapping relationship and reconstruct the latent space, while the Gaussian process (GP) modeling technique is used to build the surrogate model of the transformed limit state function. During the training process of the DFN, the discrepancy between the actual and reconstructed latent space is minimized through semi-supervised learning for ensuring the accuracy. Both labeled and unlabeled samples are utilized for defining the loss function of the DFN. Evolutionary algorithm is adopted to train the DFN, then the Monte Carlo simulation method is used for uncertainty quantification and reliability analysis based on the proposed framework. The effectiveness is demonstrated through a mathematical example.
Computer simulations are invaluable tools for scientific discovery. However, accurate simulations are often slow to execute, which limits their applicability to extensive parameter exploration, large-scale data analysis, and uncertainty quantification. A promising route to accelerate simulations by building fast emulators with machine learning requires large training datasets, which can be prohibitively expensive to obtain with slow simulations. Here we present a method based on neural architecture search to build accurate emulators even with a limited number of training data. The method successfully accelerates simulations by up to 2 billion times in 10 scientific cases including astrophysics, climate science, biogeochemistry, high energy density physics, fusion energy, and seismology, using the same super-architecture, algorithm, and hyperparameters. Our approach also inherently provides emulator uncertainty estimation, adding further confidence in their use. We anticipate this work will accelerate research involving expensive simulations, allow more extensive parameters exploration, and enable new, previously unfeasible computational discovery.
One of the fundamental problems in machine learning is the estimation of a probability distribution from data. Many techniques have been proposed to study the structure of data, most often building around the assumption that observations lie on a lower-dimensional manifold of high probability. It has been more difficult, however, to exploit this insight to build explicit, tractable density models for high-dimensional data. In this paper, we introduce the deep density model (DDM), a new approach to density estimation. We exploit insights from deep learning to construct a bijective map to a representation space, under which the transformation of the distribution of the data is approximately factorized and has identical and known marginal densities. The simplicity of the latent distribution under the model allows us to feasibly explore it, and the invertibility of the map to characterize contraction of measure across it. This enables us to compute normalized densities for out-of-sample data. This combination of tractability and flexibility allows us to tackle a variety of probabilistic tasks on high-dimensional datasets, including: rapid computation of normalized densities at test-time without evaluating a partition function; generation of samples without MCMC; and characterization of the joint entropy of the data.
We study the problem of adaptive control of a high dimensional linear quadratic (LQ) system. Previous work established the asymptotic convergence to an optimal controller for various adaptive control schemes. More recently, for the average cost LQ problem, a regret bound of ${O}(sqrt{T})$ was shown, apart form logarithmic factors. However, this bound scales exponentially with $p$, the dimension of the state space. In this work we consider the case where the matrices describing the dynamic of the LQ system are sparse and their dimensions are large. We present an adaptive control scheme that achieves a regret bound of ${O}(p sqrt{T})$, apart from logarithmic factors. In particular, our algorithm has an average cost of $(1+eps)$ times the optimum cost after $T = polylog(p) O(1/eps^2)$. This is in comparison to previous work on the dense dynamics where the algorithm requires time that scales exponentially with dimension in order to achieve regret of $eps$ times the optimal cost. We believe that our result has prominent applications in the emerging area of computational advertising, in particular targeted online advertising and advertising in social networks.
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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