Mara Daniels

Mara Daniels, Liam Hodgkinson, Michael Mahoney

Physics-informed machine learning (PIML) integrates prior physical information, often in the form of differential equation constraints, into the process of fitting machine learning models to physical data. Popular PIML approaches, including neural operators, physics-informed neural networks, neural ordinary differential equations, and neural discrete equilibria, are typically fit to objectives that simultaneously include both data and physical constraints. However, the multi-objective nature of this approach creates ambiguity in the measurement of model quality. This is related to a poor understanding of epistemic uncertainty, and it can lead to surprising failure modes, even when existing statistical metrics suggest strong fits. Working within a Gaussian process regression framework, we introduce the Physics-Informed Log Evidence (PILE) score. Bypassing the ambiguities of test losses, the PILE score is a single, uncertainty-aware metric that provides a selection principle for hyperparameters of a PIML model. We show that PILE minimization yields excellent choices for a wide variety of model parameters, including kernel bandwidth, least squares regularization weights, and even kernel function selection. We also show that, even prior to data acquisition, a special 'data-free' case of the PILE score identifies a priori kernel choices that are 'well-adapted' to a given PDE. Beyond the kernel setting, we anticipate that the PILE score can be extended to PIML at large, and we outline approaches to do so.

Mara Daniels

We investigate stochastic interpolation, a recently introduced framework for high dimensional sampling which bears many similarities to diffusion modeling. Stochastic interpolation generates a data sample by first randomly initializing a particle drawn from a simple base distribution, then simulating deterministic or stochastic dynamics such that in finite time the particle's distribution converges to the target. We show that for a Gaussian base distribution and a strongly log-concave target distribution, the stochastic interpolation flow map is Lipschitz with a sharp constant which matches that of Caffarelli's theorem for optimal transport maps. We are further able to construct Lipschitz transport maps between non-Gaussian distributions, generalizing some recent constructions in the literature on transport methods for establishing functional inequalities. We discuss the practical implications of our theorem for the sampling and estimation problems required by stochastic interpolation.

Mara Daniels, Philippe Rigollet

We introduce a highly expressive class of function approximators called Splat Regression Models. Model outputs are mixtures of heterogeneous and anisotropic bump functions, termed splats, each weighted by an output vector. The power of splat modeling lies in its ability to locally adjust the scale and direction of each splat, achieving both high interpretability and accuracy. Fitting splat models reduces to optimization over the space of mixing measures, which can be implemented using Wasserstein-Fisher-Rao gradient flows. As a byproduct, we recover the popular Gaussian Splatting methodology as a special case, providing a unified theoretical framework for this state-of-the-art technique that clearly disambiguates the inverse problem, the model, and the optimization algorithm. Through numerical experiments, we demonstrate that the resulting models and algorithms constitute a flexible and promising approach for solving diverse approximation, estimation, and inverse problems involving low-dimensional data.

Mara Daniels, Tyler Maunu, Paul Hand

We consider the fundamental problem of sampling the optimal transport coupling between given source and target distributions. In certain cases, the optimal transport plan takes the form of a one-to-one mapping from the source support to the target support, but learning or even approximating such a map is computationally challenging for large and high-dimensional datasets due to the high cost of linear programming routines and an intrinsic curse of dimensionality. We study instead the Sinkhorn problem, a regularized form of optimal transport whose solutions are couplings between the source and the target distribution. We introduce a novel framework for learning the Sinkhorn coupling between two distributions in the form of a score-based generative model. Conditioned on source data, our procedure iterates Langevin Dynamics to sample target data according to the regularized optimal coupling. Key to this approach is a neural network parametrization of the Sinkhorn problem, and we prove convergence of gradient descent with respect to network parameters in this formulation. We demonstrate its empirical success on a variety of large scale optimal transport tasks.

Mara Daniels, Paul Hand, Reinhard Heckel

Generative models, such as GANs, learn an explicit low-dimensional representation of a particular class of images, and so they may be used as natural image priors for solving inverse problems such as image restoration and compressive sensing. GAN priors have demonstrated impressive performance on these tasks, but they can exhibit substantial representation error for both in-distribution and out-of-distribution images, because of the mismatch between the learned, approximate image distribution and the data generating distribution. In this paper, we demonstrate a method for reducing the representation error of GAN priors by modeling images as the linear combination of a GAN prior with a Deep Decoder. The deep decoder is an underparameterized and most importantly unlearned natural signal model similar to the Deep Image Prior. No knowledge of the specific inverse problem is needed in the training of the GAN underlying our method. For compressive sensing and image superresolution, our hybrid model exhibits consistently higher PSNRs than both the GAN priors and Deep Decoder separately, both on in-distribution and out-of-distribution images. This model provides a method for extensibly and cheaply leveraging both the benefits of learned and unlearned image recovery priors in inverse problems.

Muhammad Asim, Mara Daniels, Oscar Leong et al.

Trained generative models have shown remarkable performance as priors for inverse problems in imaging -- for example, Generative Adversarial Network priors permit recovery of test images from 5-10x fewer measurements than sparsity priors. Unfortunately, these models may be unable to represent any particular image because of architectural choices, mode collapse, and bias in the training dataset. In this paper, we demonstrate that invertible neural networks, which have zero representation error by design, can be effective natural signal priors at inverse problems such as denoising, compressive sensing, and inpainting. Given a trained generative model, we study the empirical risk formulation of the desired inverse problem under a regularization that promotes high likelihood images, either directly by penalization or algorithmically by initialization. For compressive sensing, invertible priors can yield higher accuracy than sparsity priors across almost all undersampling ratios, and due to their lack of representation error, invertible priors can yield better reconstructions than GAN priors for images that have rare features of variation within the biased training set, including out-of-distribution natural images. We additionally compare performance for compressive sensing to unlearned methods, such as the deep decoder, and we establish theoretical bounds on expected recovery error in the case of a linear invertible model.