We propose a sampling method based on an ensemble approximation of second order Langevin dynamics. The log target density is appended with a quadratic term in an auxiliary momentum variable and damped-driven Hamiltonian dynamics introduced; the resulting stochastic differential equation is invariant to the Gibbs measure, with marginal on the position coordinates given by the target. A preconditioner based on covariance under the law of the dynamics does not change this invariance property, and is introduced to accelerate convergence to the Gibbs measure. The resulting mean-field dynamics may be approximated by an ensemble method; this results in a gradient-free and affine-invariant stochastic dynamical system. Numerical results demonstrate its potential as the basis for a numerical sampler in Bayesian inverse problems.
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This paper introduces a novel deep neural network architecture for solving the inverse scattering problem in frequency domain with wide-band data, by directly approximating the inverse map, thus avoiding the expensive optimization loop of classical methods. The architecture is motivated by the filtered back-projection formula in the full aperture regime and with homogeneous background, and it leverages the underlying equivariance of the problem and compressibility of the integral operator. This drastically reduces the number of training parameters, and therefore the computational and sample complexity of the method. In particular, we obtain an architecture whose number of parameters scale sub-linearly with respect to the dimension of the inputs, while its inference complexity scales super-linearly but with very small constants. We provide several numerical tests that show that the current approach results in better reconstruction than optimization-based techniques such as full-waveform inversion, but at a fraction of the cost while being competitive with state-of-the-art machine learning methods.
A Transformer-based deep direct sampling method is proposed for a class of boundary value inverse problems. A real-time reconstruction is achieved by evaluating the learned inverse operator between carefully designed data and the reconstructed images. An effort is made to give a specific example to a fundamental question: whether and how one can benefit from the theoretical structure of a mathematical problem to develop task-oriented and structure-conforming deep neural networks? Specifically, inspired by direct sampling methods for inverse problems, the 1D boundary data in different frequencies are preprocessed by a partial differential equation-based feature map to yield 2D harmonic extensions as different input channels. Then, by introducing learnable non-local kernels, the direct sampling is recast to a modified attention mechanism. The proposed method is then applied to electrical impedance tomography, a well-known severely ill-posed nonlinear inverse problem. The new method achieves superior accuracy over its predecessors and contemporary operator learners, as well as shows robustness with respect to noise. This research shall strengthen the insights that the attention mechanism, despite being invented for natural language processing tasks, offers great flexibility to be modified in conformity with the a priori mathematical knowledge, which ultimately leads to the design of more physics-compatible neural architectures.
The unit commitment (UC) problem, which determines operating schedules of generation units to meet demand, is a fundamental task in power systems operation. Existing UC methods using mixed-integer programming are not well-suited to highly stochastic systems. Approaches which more rigorously account for uncertainty could yield large reductions in operating costs by reducing spinning reserve requirements; operating power stations at higher efficiencies; and integrating greater volumes of variable renewables. A promising approach to solving the UC problem is reinforcement learning (RL), a methodology for optimal decision-making which has been used to conquer long-standing grand challenges in artificial intelligence. This thesis explores the application of RL to the UC problem and addresses challenges including robustness under uncertainty; generalisability across multiple problem instances; and scaling to larger power systems than previously studied. To tackle these issues, we develop guided tree search, a novel methodology combining model-free RL and model-based planning. The UC problem is formalised as a Markov decision process and we develop an open-source environment based on real data from Great Britain's power system to train RL agents. In problems of up to 100 generators, guided tree search is shown to be competitive with deterministic UC methods, reducing operating costs by up to 1.4\%. An advantage of RL is that the framework can be easily extended to incorporate considerations important to power systems operators such as robustness to generator failure, wind curtailment or carbon prices. When generator outages are considered, guided tree search saves over 2\% in operating costs as compared with methods using conventional $N-x$ reserve criteria.
We propose to use L\'evy {\alpha}-stable distributions for constructing priors for Bayesian inverse problems. The construction is based on Markov fields with stable-distributed increments. Special cases include the Cauchy and Gaussian distributions, with stability indices {\alpha} = 1, and {\alpha} = 2, respectively. Our target is to show that these priors provide a rich class of priors for modelling rough features. The main technical issue is that the {\alpha}-stable probability density functions do not have closed-form expressions in general, and this limits their applicability. For practical purposes, we need to approximate probability density functions through numerical integration or series expansions. Current available approximation methods are either too time-consuming or do not function within the range of stability and radius arguments needed in Bayesian inversion. To address the issue, we propose a new hybrid approximation method for symmetric univariate and bivariate {\alpha}-stable distributions, which is both fast to evaluate, and accurate enough from a practical viewpoint. Then we use approximation method in the numerical implementation of {\alpha}-stable random field priors. We demonstrate the applicability of the constructed priors on selected Bayesian inverse problems which include the deconvolution problem, and the inversion of a function governed by an elliptic partial differential equation. We also demonstrate hierarchical {\alpha}-stable priors in the one-dimensional deconvolution problem. We employ maximum-a-posterior-based estimation at all the numerical examples. To that end, we exploit the limited-memory BFGS and its bounded variant for the estimator.
To study population dynamics, ecologists and wildlife biologists use relative abundance data, which are often subject to temporal preferential sampling. Temporal preferential sampling occurs when sampling effort varies across time. To account for preferential sampling, we specify a Bayesian hierarchical abundance model that considers the dependence between observation times and the ecological process of interest. The proposed model improves abundance estimates during periods of infrequent observation and accounts for temporal preferential sampling in discrete time. Additionally, our model facilitates posterior inference for population growth rates and mechanistic phenometrics. We apply our model to analyze both simulated data and mosquito count data collected by the National Ecological Observatory Network. In the second case study, we characterize the population growth rate and abundance of several mosquito species in the Aedes genus.
Self-supervised learning (SSL) learns useful representations from unlabelled data by training networks to be invariant to pairs of augmented versions of the same input. Non-contrastive methods avoid collapse either by directly regularizing the covariance matrix of network outputs or through asymmetric loss architectures, two seemingly unrelated approaches. Here, by building on DirectPred, we lay out a theoretical framework that reconciles these two views. We derive analytical expressions for the representational learning dynamics in linear networks. By expressing them in the eigenspace of the embedding covariance matrix, where the solutions decouple, we reveal the mechanism and conditions that provide implicit variance regularization. These insights allow us to formulate a new isotropic loss function that equalizes eigenvalue contribution and renders learning more robust. Finally, we show empirically that our findings translate to nonlinear networks trained on CIFAR-10 and STL-10.
Conditional normalizing flows can generate diverse image samples for solving inverse problems. Most normalizing flows for inverse problems in imaging employ the conditional affine coupling layer that can generate diverse images quickly. However, unintended severe artifacts are occasionally observed in the output of them. In this work, we address this critical issue by investigating the origins of these artifacts and proposing the conditions to avoid them. First of all, we empirically and theoretically reveal that these problems are caused by ``exploding variance'' in the conditional affine coupling layer for certain out-of-distribution (OOD) conditional inputs. Then, we further validated that the probability of causing erroneous artifacts in pixels is highly correlated with a Mahalanobis distance-based OOD score for inverse problems in imaging. Lastly, based on our investigations, we propose a remark to avoid exploding variance and then based on it, we suggest a simple remedy that substitutes the affine coupling layers with the modified rational quadratic spline coupling layers in normalizing flows, to encourage the robustness of generated image samples. Our experimental results demonstrated that our suggested methods effectively suppressed critical artifacts occurring in normalizing flows for super-resolution space generation and low-light image enhancement without compromising performance.
We study a natural extension of classical empirical risk minimization, where the hypothesis space is a random subspace of a given space. In particular, we consider possibly data dependent subspaces spanned by a random subset of the data, recovering as a special case Nystrom approaches for kernel methods. Considering random subspaces naturally leads to computational savings, but the question is whether the corresponding learning accuracy is degraded. These statistical-computational tradeoffs have been recently explored for the least squares loss and self-concordant loss functions, such as the logistic loss. Here, we work to extend these results to convex Lipschitz loss functions, that might not be smooth, such as the hinge loss used in support vector machines. This unified analysis requires developing new proofs, that use different technical tools, such as sub-gaussian inputs, to achieve fast rates. Our main results show the existence of different settings, depending on how hard the learning problem is, for which computational efficiency can be improved with no loss in performance.
In this work, we study the numerical solution of inverse eigenvalue problems from a machine learning perspective. Two different problems are considered: the inverse Strum-Liouville eigenvalue problem for symmetric potentials and the inverse transmission eigenvalue problem for spherically symmetric refractive indices. Firstly, we solve the corresponding direct problems to produce the required eigenvalues datasets in order to train the machine learning algorithms. Next, we consider several examples of inverse problems and compare the performance of each model to predict the unknown potentials and refractive indices respectively, from a given small set of the lowest eigenvalues. The supervised regression models we use are k-Nearest Neighbours, Random Forests and Multi-Layer Perceptron. Our experiments show that these machine learning methods, under appropriate tuning on their parameters, can numerically solve the examined inverse eigenvalue problems.
Neural networks have recently allowed solving many ill-posed inverse problems with unprecedented performance. Physics informed approaches already progressively replace carefully hand-crafted reconstruction algorithms in real applications. However, these networks suffer from a major defect: when trained on a given forward operator, they do not generalize well to a different one. The aim of this paper is twofold. First, we show through various applications that training the network with a family of forward operators allows solving the adaptivity problem without compromising the reconstruction quality significantly. Second, we illustrate that this training procedure allows tackling challenging blind inverse problems. Our experiments include partial Fourier sampling problems arising in magnetic resonance imaging (MRI), computerized tomography (CT) and image deblurring.
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